A0A3Q0KRB5_SCHMA Loading...

Tubulin tyrosine ligase-related AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KRB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 889 aa.

						>A0A3Q0KRB5_SCHMA|A0A3Q0KRB5
MRMLIKVQLDPNEMNKQITTNGITSDTINNTSTKNSKLSSFTLLSSSTSSTSSMSSSPLPNLLSLKHDENKISEENSKLNVSNKPTVRNILATPHKIPIYYLSRGNNSQLIDTVMTELGWKRTFDRHADYTLRWTENSIQINYGIFKEGEQLVNHIPNCGLLTNKLGLLISLRDYERRYQNRFGRLPIMVMDDFFPKTFIVDDLKEREAYFKLQENDEAPHMWICKPIGQNQGKGIFLVRDIEEFKVHLKNRDEEARHQPSGLLPRIIQRYIINPLLLDGCKFDIRCYVLIACTMPYLVFYHPGYIRRSAKPYSNQDQNLITHLTNQFVQKKDPAYAEVKNNTVWSWSQVNDYINKHYREEKKLPVDWTKTVLQWRIQRIIHHVFTTVKNRLAAKVGFFELLGLDFMLDENMKVWLLEVNSNPALQTHCDVLKEVVPVVVKDALHISIECFEKSRHQKCLLPLHGLDNLSAFVFCQRSNRHMRTSLDEMPIVNKISGDLGVPTGWNLLYNESQAAFRARWPILQSCSLRCWIPPRYKPPTIHNNPNLQRPVNDNNTEQNKSNSVSLQTCGSTAATNENVNMLGHTTDVVNCTSKEQNTSKNTISNQLFHPRLSLPEYRTFESSLRRYPVTSNTMNNKILPRRNTLARQSLQDSKQTIHLQDISEKIPQPESFITVKQPKYQNKTINANTSNSNNTSTNNNNNNNNCNSRRITTDDGNQSTKQIISNLYDCTKSKHDLEVFSEDEILTGKRKAKTKLNLISISREPVQISRVHLITNSDIDKVFNHTTTNNNNFKKSNHNNKNIIPPTTPKHLNMKSKNQSTIIGGTSADHIYDNIDNIQNKSKLIGRPYASSNKLHTIESNDLITVTYETKKFTNKSQNIHYSSEDRGS
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	27.7	Very low	28.8	Very low	188 Å²	188	158.6 Å²	158.6	93%	0.926	78%	0.784	S	S	*	*				0	93.1	0	-61.5	175.9	-175.4	0	0	109.8
2	R	22.8	Very low	29.1	Very low	251 Å²	251	156.8 Å²	156.8	95%	0.947	78%	0.779	S	S	*	*			trans	-128.8	120.8	165.3	-76.6	-179.6	176.5	167.8	-1.6	105.9
3	M	26.6	Very low	29.6	Very low	190 Å²	190	160 Å²	160	94%	0.936	79%	0.791	S	S	*	*			trans	-129.2	124.4	172.5	-134.1	177.5	-169.1	0	0	107.3
4	L	26.5	Very low	29.7	Very low	153 Å²	153	158.6 Å²	158.6	80%	0.801	78%	0.783	S	S	*	*			trans	-75.6	132.7	-174.8	-67.2	90.4	0	0	0	110.1
5	I	34.3	Very low	29.6	Very low	136 Å²	136	158.6 Å²	158.6	70%	0.697	79%	0.788	S	S	*	*			trans	-93.9	102	148	-65.7	171.8	0	0	0	105.5	V7	I5-V7 HydrophobicContact CG2-CG2 4.48Å; I5-V7 PolarHBondContact O-N 2.69Å; I5-V7 VanDerWaalsContact O-N 3.12Å
6	K	28.4	Very low	29.9	Very low	174 Å²	174	160.4 Å²	160.4	76%	0.757	79%	0.789	S	S	*	*			trans	-64.2	108.3	160.9	-85.2	-172.9	172.6	-175.1	0	106.8	Q8	K6-Q8 PolarHBondContact O-N 3.31Å
7	V	33.6	Very low	29.8	Very low	116 Å²	116	161.5 Å²	161.5	70%	0.703	79%	0.792	S	S	*	*			trans	-73.7	113.3	155.3	177.8	0	0	0	0	105.4	I5 L9	I5-V7 HydrophobicContact CG2-CG2 4.48Å; I5-V7 PolarHBondContact O-N 2.69Å; I5-V7 VanDerWaalsContact O-N 3.12Å; V7-L9 VanDerWaalsContact C-N 3.34Å; V7-L9 HydrophobicContact CG1-CG 4.42Å; V7-L9 PolarHBondContact O-N 2.97Å
8	Q	28	Very low	29.9	Very low	164 Å²	164	161.7 Å²	161.7	77%	0.766	80%	0.795	S	S	*	*			trans	-77.8	90.2	179.3	-162.5	141.8	-49.6	0	0	108.7	K6	K6-Q8 PolarHBondContact O-N 3.31Å
9	L	31.3	Very low	29.9	Very low	144 Å²	144	159.2 Å²	159.2	75%	0.754	79%	0.79	S	S	*	*			trans	-83.5	125.5	158.6	-67	171.2	0	0	0	106.7	V7 P11	V7-L9 VanDerWaalsContact C-N 3.34Å; V7-L9 HydrophobicContact CG1-CG 4.42Å; V7-L9 PolarHBondContact O-N 2.97Å; L9-P11 WeakPolarHBondContact O-CD 3.23Å
10	D	29.2	Very low	29.9	Very low	135 Å²	135	157.3 Å²	157.3	72%	0.722	79%	0.788	S	S	*	*			trans	-65.4	124.3	174.3	-89.8	-59.8	0	0	0	110.4	N12	D10-N12 PolarHBondContact O-N 3.04Å
11	P	28.1	Very low	30.1	Very low	94 Å²	94	157.5 Å²	157.5	61%	0.61	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	1.4	178.1	-17.2	33.3	0	0	0	114.6	L9	L9-P11 WeakPolarHBondContact O-CD 3.23Å
12	N	32.5	Very low	30.3	Very low	136 Å²	136	152 Å²	152	73%	0.727	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	10.6	-158.4	-76	-0.3	0	0	0	116.2	D10 M14	D10-N12 PolarHBondContact O-N 3.04Å; N12-M14 VanDerWaalsContact C-N 3.32Å; N12-M14 PolarHBondContact O-N 2.84Å
13	E	35.3	Very low	30.9	Very low	199 Å²	199	148.3 Å²	148.3	93%	0.93	78%	0.78	S	S	*	*			trans	-94.5	63.8	158.7	-73.7	-165.1	131.8	0	0	110.5
14	M	31.3	Very low	31.4	Very low	140 Å²	140	145.5 Å²	145.5	69%	0.69	77%	0.774	S	S	*	*			trans	-97	133.1	166	-76.1	-172.1	-73.6	0	0	110.7	N12	N12-M14 VanDerWaalsContact C-N 3.32Å; N12-M14 PolarHBondContact O-N 2.84Å
15	N	28.8	Very low	31.8	Very low	159 Å²	159	142.8 Å²	142.8	85%	0.85	77%	0.768	S	S	*	*			trans	46.1	82.3	153.7	-60.9	-11.3	0	0	0	117.9
16	K	33.4	Very low	31.9	Very low	187 Å²	187	142.4 Å²	142.4	81%	0.813	77%	0.767	S	S	*	*			trans	-135.8	109.9	150.5	-79.1	-167.6	176.5	-178.2	0	111.7
17	Q	28.8	Very low	32.2	Very low	180 Å²	180	139.6 Å²	139.6	84%	0.841	76%	0.764	S	S	*	*			trans	62	140.1	161.1	-65.5	152.6	-16.3	0	0	114.5
18	I	31.6	Very low	32.3	Very low	165 Å²	165	141 Å²	141	85%	0.846	77%	0.766	S	S	*	*			cis	-125.9	146.9	42	-68.6	153	0	0	0	111.5
19	T	30.4	Very low	32.5	Very low	114 Å²	114	139.5 Å²	139.5	70%	0.699	76%	0.764	S	S	*	*			trans	-132.4	156.8	166.1	39.3	0	0	0	0	109.6
20	T	30.2	Very low	32.5	Very low	120 Å²	120	139.4 Å²	139.4	74%	0.736	76%	0.764	S	S	*	*			trans	54.5	109.8	165.8	51.9	0	0	0	0	119.1
21	N	34.1	Very low	32.7	Very low	163 Å²	163	139 Å²	139	87%	0.872	77%	0.767	S	S	*	*				160.9	134.9	127.2	-78	-10.8	0	0	0	109.2
22	G	30.1	Very low	32.7	Very low	72 Å²	72	139.1 Å²	139.1	74%	0.742	77%	0.77	S	S	*	*			cis	142.1	87.4	-6.2	0	0	0	0	0	112.7
23	I	36.6	Very low	32.8	Very low	173 Å²	173	139.2 Å²	139.2	89%	0.887	78%	0.776	S	S	*	*			trans	-142.8	144.4	173.7	-59.6	-176.8	0	0	0	109.7
24	T	35.9	Very low	32.6	Very low	132 Å²	132	138.3 Å²	138.3	81%	0.81	77%	0.769	S	S	*	*			trans	-118.1	166.1	-175.3	51.2	0	0	0	0	111.1
25	S	35.5	Very low	32.5	Very low	95 Å²	95	139 Å²	139	66%	0.664	78%	0.775	S	S	*	*			cis	-153.4	-161.5	-3.6	34.5	0	0	0	0	106.8
26	D	35.9	Very low	32.7	Very low	128 Å²	128	137.5 Å²	137.5	68%	0.684	78%	0.777	S	S	*	*			cis	-141.9	156.5	9.8	-94.6	-73.9	0	0	0	108.9
27	T	35.3	Very low	32.5	Very low	115 Å²	115	137.4 Å²	137.4	71%	0.706	78%	0.776	S	S	*	*				84.3	133.1	56	-35.7	0	0	0	0	114.9
28	I	36.5	Very low	32.4	Very low	145 Å²	145	136.4 Å²	136.4	74%	0.744	78%	0.776	S	S	*	*			trans	88.6	83.8	170.2	-43.8	-171.8	0	0	0	119.3
29	N	32.5	Very low	32.4	Very low	133 Å²	133	134.3 Å²	134.3	71%	0.711	78%	0.776	S	S	*	*				53.6	120.3	120	-58.2	-10.2	0	0	0	125
30	N	29.8	Very low	32.4	Very low	143 Å²	143	133.4 Å²	133.4	77%	0.765	77%	0.774	S	S	*	*				89.2	154.3	124.1	-73.5	-13.4	0	0	0	124.6
31	T	33.7	Very low	32.4	Very low	127 Å²	127	138.1 Å²	138.1	78%	0.779	79%	0.785	S	S	*	*			trans	69.5	88.7	161.4	38.9	0	0	0	0	120.7
32	S	28.2	Very low	32.2	Very low	95 Å²	95	135.1 Å²	135.1	66%	0.664	77%	0.773	S	S	*	*				32.7	123.8	126.6	61.5	0	0	0	0	121.2
33	T	34	Very low	32.2	Very low	139 Å²	139	140 Å²	140	85%	0.853	78%	0.781	S	S	*	*				178.1	157.7	104.8	30.9	0	0	0	0	114.7
34	K	31.4	Very low	31.9	Very low	180 Å²	180	139.1 Å²	139.1	78%	0.783	78%	0.777	S	S	*	*			trans	-18.2	143.5	168.5	-63.8	171.2	179.4	173.9	0	120.7
35	N	29.3	Very low	31.7	Very low	155 Å²	155	138 Å²	138	83%	0.829	78%	0.775	S	S	*	*			trans	59	118.3	138.2	-59.4	-2.7	0	0	0	121.1
36	S	33.1	Very low	31.6	Very low	126 Å²	126	138.6 Å²	138.6	88%	0.881	78%	0.779	S	S	*	*				-160.4	-173.2	115.5	73.8	0	0	0	0	111.2
37	K	28.5	Very low	31.5	Very low	186 Å²	186	137.2 Å²	137.2	81%	0.809	78%	0.779	S	S	*	*			trans	-128.9	160.2	-172.3	-90.7	-175.8	176.3	179.9	0	111.4
38	L	28.5	Very low	31.5	Very low	158 Å²	158	137.4 Å²	137.4	83%	0.827	78%	0.781	S	S	*	*			trans	67.5	123.7	153.9	-102.6	75.9	0	0	0	119
39	S	30.7	Very low	31.6	Very low	121 Å²	121	135.8 Å²	135.8	85%	0.846	78%	0.782	S	S	*	*				-154.2	123.1	129.1	61.1	0	0	0	0	109.5
40	S	29.6	Very low	31.8	Very low	96 Å²	96	134.1 Å²	134.1	67%	0.671	78%	0.781	S	S	*	*			trans	-96.3	147.6	178.6	50	0	0	0	0	111.8
41	F	31.8	Very low	32.2	Very low	219 Å²	219	133.5 Å²	133.5	96%	0.961	78%	0.782	S	S	*	*			trans	-86.8	146.6	162.1	-103	-93.1	0	0	0	110.9
42	T	29.2	Very low	32.4	Very low	100 Å²	100	132 Å²	132	61%	0.613	78%	0.777	S	S	*	*			trans	-134.5	143.3	-171.9	-53	0	0	0	0	110.4
43	L	30.7	Very low	32.9	Very low	173 Å²	173	132.5 Å²	132.5	91%	0.906	78%	0.781	S	S	*	*			trans	-130.5	147.9	160.5	-78.7	175	0	0	0	109.4
44	L	29.3	Very low	33.2	Very low	155 Å²	155	133.9 Å²	133.9	81%	0.812	78%	0.779	S	S	*	*			trans	-103	151.9	-165.2	-70.3	69.3	0	0	0	112.1
45	S	32.8	Very low	33.4	Very low	110 Å²	110	129.5 Å²	129.5	77%	0.769	77%	0.771	S	S	*	*				-170.8	134	123	51.5	0	0	0	0	113.5
46	S	33.8	Very low	33.8	Very low	107 Å²	107	126.9 Å²	126.9	75%	0.748	77%	0.765	S	S	*	*			trans	34.8	141.1	146.6	55.7	0	0	0	0	123
47	S	33.3	Very low	34	Very low	98 Å²	98	126.3 Å²	126.3	69%	0.685	76%	0.761	S	S	*	*			cis	-178.2	-179	-10.3	46.5	0	0	0	0	111.3
48	T	36	Very low	34.7	Very low	120 Å²	120	122.4 Å²	122.4	74%	0.736	76%	0.755	S	S	*	*			trans	75	109.3	159.5	60.5	0	0	0	0	121.9
49	S	37	Very low	34.9	Very low	111 Å²	111	122.7 Å²	122.7	78%	0.776	76%	0.756	S	S	*	*			trans	57.9	142.6	136.4	52.5	0	0	0	0	122.4
50	S	37.6	Very low	35.2	Very low	97 Å²	97	122.5 Å²	122.5	68%	0.678	75%	0.752	S	S	*	*			cis	-172.5	152.9	-6.2	44.7	0	0	0	0	112.8
51	T	37.9	Very low	35.4	Very low	131 Å²	131	125.3 Å²	125.3	80%	0.804	76%	0.76	S	S	*	*			trans	60.6	143.8	155.5	47.8	0	0	0	0	120
52	S	38.3	Very low	35.5	Very low	95 Å²	95	122.3 Å²	122.3	66%	0.664	75%	0.753	S	S	*	*			cis	-169.9	151	-6	44.8	0	0	0	0	112.6
53	S	39.4	Very low	35.7	Very low	106 Å²	106	124.7 Å²	124.7	74%	0.741	76%	0.761	S	S	*	*			trans	59.3	146.5	154.5	55.1	0	0	0	0	120.9
54	M	38.8	Very low	35.7	Very low	167 Å²	167	120.9 Å²	120.9	82%	0.823	75%	0.749	S	S	*	*			cis	-163	164	-10.6	-113.5	177.4	75.4	0	0	111.2
55	S	36.9	Very low	36	Very low	88 Å²	88	120.4 Å²	120.4	62%	0.615	75%	0.746	S	S	*	*			trans	18.1	130.1	156.2	55.7	0	0	0	0	120.9
56	S	36.9	Very low	36.1	Very low	101 Å²	101	123.2 Å²	123.2	71%	0.706	75%	0.745	S	S	*	*			cis	117.6	111.2	22.2	64.7	0	0	0	0	114.1
57	S	36.3	Very low	36.2	Very low	114 Å²	114	124.4 Å²	124.4	80%	0.797	74%	0.738	S	S	*	*			trans	91.2	170.1	133.1	87.6	0	0	0	0	119.4
58	P	43.2	Very low	36.5	Very low	103 Å²	103	127.5 Å²	127.5	67%	0.669	75%	0.747	S	S	*	*				-143.5	165.9	-105.1	38.6	-16.6	0	0	0	119.8
59	L	32.7	Very low	36.3	Very low	165 Å²	165	129.1 Å²	129.1	86%	0.864	75%	0.746	S	S	*	*			trans	65.9	167.2	157	-72	162.4	0	0	0	118.4
60	P	38.9	Very low	36.3	Very low	116 Å²	116	131.7 Å²	131.7	75%	0.753	75%	0.751	S	S	*	*			cis	-127.5	-167.4	-16.6	33.4	-12.1	0	0	0	114.6
61	N	33.1	Very low	36.1	Very low	155 Å²	155	135.3 Å²	135.3	83%	0.829	76%	0.755	S	S	*	*			trans	-66.1	153.8	-179.1	-51.1	-33.5	0	0	0	116.2
62	L	34.4	Very low	36	Very low	156 Å²	156	136.6 Å²	136.6	82%	0.817	76%	0.755	S	S	*	*				-170.3	166	110.1	-146	57.5	0	0	0	115.1
63	L	32.4	Very low	35.9	Very low	150 Å²	150	136 Å²	136	79%	0.785	75%	0.751	S	S	*	*			trans	-37.7	165	168.3	-63	166	0	0	0	117.8
64	S	31	Very low	35.7	Very low	94 Å²	94	139.6 Å²	139.6	66%	0.657	76%	0.756	S	S	*	*			cis	-173.6	-152	-11.8	60.5	0	0	0	0	110.7
65	L	34.4	Very low	35.6	Very low	144 Å²	144	139 Å²	139	75%	0.754	75%	0.751	S	S	*	*			trans	89.4	119.8	176.5	-52.1	171.9	0	0	0	114.9
66	K	35.7	Very low	35.5	Very low	169 Å²	169	140.3 Å²	140.3	74%	0.735	75%	0.751	S	S	*	*				78.2	139.6	68.4	-75.6	-174.6	163.6	-155.8	0	113.2
67	H	36.7	Very low	35.4	Very low	133 Å²	133	139.9 Å²	139.9	62%	0.616	75%	0.748	S	S	*	*			cis	-154.3	169.8	-4.8	-109.4	-66.1	0	0	0	108.7
68	D	38	Very low	35.3	Very low	162 Å²	162	143.4 Å²	143.4	87%	0.866	75%	0.749	S	S	*	*				171.6	160.8	122.8	-85.3	-8.7	0	0	0	113
69	E	33	Very low	34.8	Very low	154 Å²	154	145.2 Å²	145.2	72%	0.72	75%	0.752	S	S	*	*			trans	-125.8	162.9	-170.4	-57	-170.6	154.9	0	0	113.3
70	N	36.5	Very low	34.8	Very low	165 Å²	165	143.9 Å²	143.9	88%	0.882	75%	0.746	S	S	*	*			trans	-166.5	170.6	132.1	-107.7	-63.7	0	0	0	113.6
71	K	32.5	Very low	34.5	Very low	173 Å²	173	144.2 Å²	144.2	75%	0.752	75%	0.746	S	S	*	*			trans	-119.1	-170.8	-162.3	-69.4	178.1	176.4	172.6	0	114.6
72	I	36.5	Very low	34.5	Very low	159 Å²	159	142 Å²	142	82%	0.815	74%	0.743	S	S	*	*			trans	93.6	138.2	158.3	-54.5	165.3	0	0	0	114.8
73	S	35.8	Very low	34.6	Very low	81 Å²	81	141.9 Å²	141.9	57%	0.566	74%	0.743	S	S	*	*			cis	-172.7	143.3	-36.8	56.2	0	0	0	0	110.1
74	E	36.8	Very low	34.7	Very low	183 Å²	183	143.5 Å²	143.5	86%	0.855	74%	0.744	S	S	*	*			trans	59.4	159.3	155.3	-72	159.1	-167.9	0	0	118.1
75	E	35.9	Very low	34.9	Very low	155 Å²	155	144.9 Å²	144.9	72%	0.724	75%	0.75	S	S	*	*			cis	-153.4	168.3	-1.1	-135.8	-163.1	161	0	0	112.5
76	N	34.4	Very low	34.9	Very low	115 Å²	115	144 Å²	144	62%	0.615	75%	0.751	S	S	*	*			trans	54.9	87.5	149.1	-72.4	-32.5	0	0	0	125.2
77	S	34.8	Very low	34.9	Very low	92 Å²	92	142 Å²	142	64%	0.643	75%	0.752	S	S	*	*				67.8	118.3	119	80.9	0	0	0	0	122.9
78	K	35.5	Very low	34.7	Very low	187 Å²	187	146 Å²	146	81%	0.813	76%	0.762	S	S	*	*				173.7	143.2	98.9	-95.4	168.8	-174.5	168.8	0	115
79	L	32.1	Very low	34.3	Very low	141 Å²	141	145.3 Å²	145.3	74%	0.738	76%	0.758	S	S	*	*			trans	63.9	102.4	151.2	-64.7	165.3	0	0	0	121.3
80	N	31.9	Very low	34.5	Very low	138 Å²	138	145.6 Å²	145.6	74%	0.738	76%	0.763	S	S	*	*				101.1	110.1	121.9	-72.2	-1.2	0	0	0	122.8
81	V	33.7	Very low	34.2	Very low	123 Å²	123	145.3 Å²	145.3	75%	0.745	76%	0.761	S	S	*	*			trans	68.5	93.3	141.6	-170.7	0	0	0	0	117.5
82	S	33.3	Very low	34.2	Very low	108 Å²	108	141.1 Å²	141.1	76%	0.755	76%	0.759	S	S	*	*			trans	-108.8	110.6	156.3	65.4	0	0	0	0	111	K84	S82-K84 PolarHBondContact O-N 3.02Å
83	N	35.4	Very low	34.1	Very low	154 Å²	154	136.7 Å²	136.7	82%	0.824	74%	0.739	S	S	*	*			trans	-83.4	92.7	170.5	-88	-26.8	0	0	0	109.8
84	K	35.1	Very low	34.2	Very low	184 Å²	184	138.9 Å²	138.9	80%	0.8	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-95.5	117.4	162.5	-80.5	-176.7	175.1	177.3	0	109.3	S82 T86	S82-K84 PolarHBondContact O-N 3.02Å; K84-T86 PolarHBondContact O-N 3.41Å
85	P	35.7	Very low	35.1	Very low	123 Å²	123	136.3 Å²	136.3	80%	0.799	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-68.5	120	-178.9	27.5	-33.8	0	0	0	110.5	V87	P85-V87 PolarHBondContact O-N 3.27Å
86	T	33.6	Very low	37	Very low	125 Å²	125	136.2 Å²	136.2	77%	0.767	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-69.8	116.3	176.8	-38.7	0	0	0	0	109.8	K84 R88	K84-T86 PolarHBondContact O-N 3.41Å; T86-R88 VanDerWaalsContact C-N 3.31Å; T86-R88 PolarHBondContact O-N 3.4Å
87	V	35.2	Very low	39.5	Very low	126 Å²	126	135.5 Å²	135.5	76%	0.764	73%	0.731	S	S	*	*			trans	-69.6	88.8	174.8	-177.7	0	0	0	0	109.2	P85 N89	P85-V87 PolarHBondContact O-N 3.27Å; V87-N89 PolarHBondContact O-N 3.21Å
88	R	33.2	Very low	42.3	Very low	219 Å²	219	132.7 Å²	132.7	83%	0.826	71%	0.711	S	S	*	*			trans	-74.2	108	169.3	-76.2	-177	172.5	166	-1.2	108.6	T86 I90	T86-R88 VanDerWaalsContact C-N 3.31Å; T86-R88 PolarHBondContact O-N 3.4Å; R88-I90 PolarHBondContact O-N 3.1Å
89	N	30.1	Very low	45.1	Very low	146 Å²	146	125.9 Å²	125.9	78%	0.781	68%	0.683	S	S	*	*			trans	-58.6	104.1	170.4	-73.9	-20.1	0	0	0	109.8	V87 L91	V87-N89 PolarHBondContact O-N 3.21Å; N89-L91 PolarHBondContact O-N 3.06Å; N89-L91 VanDerWaalsContact O-N 3.15Å
90	I	36.2	Very low	48.2	Very low	160 Å²	160	119.2 Å²	119.2	82%	0.821	65%	0.648	S	S	*	*			trans	-76.5	102.4	173.5	-60.1	178.1	0	0	0	107.4	R88 A92	R88-I90 PolarHBondContact O-N 3.1Å; I90-A92 PolarHBondContact O-N 3.09Å
91	L	31.3	Very low	51.2	Low	160 Å²	160	113.7 Å²	113.7	84%	0.838	62%	0.617	S	S	*	*			trans	-54.8	118.8	172.9	-77	159.3	0	0	0	109.9	N89 T93	N89-L91 PolarHBondContact O-N 3.06Å; N89-L91 VanDerWaalsContact O-N 3.15Å; L91-T93 PolarHBondContact O-N 2.86Å; L91-T93 VanDerWaalsContact O-N 3.16Å
92	A	32.9	Very low	54.2	Low	85 Å²	85	108.2 Å²	108.2	70%	0.702	58%	0.583	S	S	*	*			trans	-66.9	113.1	178.2	0	0	0	0	0	109.9	I90	I90-A92 PolarHBondContact O-N 3.09Å
93	T	32.5	Very low	57	Low	66 Å²	66	103.5 Å²	103.5	41%	0.405	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-63.5	137.1	171.6	56.1	0	0	0	0	109.8	L91 H95 R477	L91-T93 PolarHBondContact O-N 2.86Å; L91-T93 VanDerWaalsContact O-N 3.16Å; T93-H95 PolarHBondContact O-N 3.12Å; T93-R477 VanDerWaalsContact OG1-CZ 3.27Å; T93-R477 PolarHBondContact OG1-NH1 3.4Å; T93-R477 PolarHBondContact OG1-NH2 2.97Å
94	P	39	Very low	59.5	Low	126 Å²	126	107 Å²	107	82%	0.818	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-57.5	127.7	-174	23.1	-34.1	0	0	0	112	K96	P94-K96 PolarHBondContact O-N 3.11Å
95	H	54.7	Low	62	Low	129 Å²	129	99.8 Å²	99.8	60%	0.597	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-67.5	127.2	-179.4	-62.2	-91.5	0	0	0	110.3	T93 I97 F474	T93-H95 PolarHBondContact O-N 3.12Å; H95-I97 PolarHBondContact O-N 3.17Å; H95-F474 AromaticContact CE1-CD1 3.69Å; H95-F474 AromaticContact CE1-CE1 3.49Å; H95-F474 VanDerWaalsContact CE1-CE1 3.49Å; H95-F474 WeakPolarHBondContact CE1-CE1 3.33Å; H95-F474 AromaticContact ND1-CE1 3.82Å
96	K	75.6	Confident	64.6	Low	153 Å²	153	95.4 Å²	95.4	67%	0.665	50%	0.499	S	S	*	.			trans	-73.1	101.2	176.8	-174	-177.4	177.6	-172.5	0	109.2	P94 D129	P94-K96 PolarHBondContact O-N 3.11Å; K96-D129 IonicContact NZ-OD2 3.67Å
97	I	88.1	Confident	67.3	Low	101 Å²	101	91.9 Å²	91.9	52%	0.518	48%	0.476	S	S	.	.			trans	-52.5	126.4	173.6	-61.6	169.7	0	0	0	109	H95 G119 K121	H95-I97 PolarHBondContact O-N 3.17Å; I97-G119 WeakPolarHBondContact CG2-O 3.36Å; I97-K121 HydrophobicContact CG2-CB 4.03Å
98	P	92.9	Very high	70	Confident	33 Å²	33	87 Å²	87	21%	0.214	45%	0.447	C	S	.	.			trans	-57	144.2	176.6	-28.2	37.2	0	0	0	112.6	W120 K121 T131	P98-W120 HydrophobicContact CB-CD2 3.4Å; P98-W120 VanDerWaalsContact CB-CD2 3.4Å; P98-W120 HydrophobicContact CB-CE3 3.51Å; P98-W120 HydrophobicContact CB-CG 3.87Å; P98-W120 HydrophobicContact CB-CH2 4.17Å; P98-W120 HydrophobicContact CB-CZ2 4.07Å; P98-W120 HydrophobicContact CB-CZ3 3.9Å; P98-W120 HydrophobicContact CG-CD2 4.28Å; P98-W120 HydrophobicContact CG-CZ2 4.48Å; P98-K121 PolarHBondContact O-N 3.23Å; P98-T131 HydrophobicContact CB-CG2 4.31Å
99	I	95	Very high	72.9	Confident	43 Å²	43	81.6 Å²	81.6	22%	0.221	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138	-176	-62.6	176.9	0	0	0	109.8	K121 T123 T131 L132	I99-K121 CarbonylContact C-O 3.59Å; I99-K121 VanDerWaalsContact CA-O 3.27Å; I99-K121 WeakPolarHBondContact CA-O 3.46Å; I99-T123 HydrophobicContact CG2-CG2 3.7Å; I99-T131 PolarHBondContact N-OG1 2.66Å; I99-T131 WeakPolarHBondContact O-CA 3.31Å; I99-T131 WeakPolarHBondContact O-CB 3.28Å; I99-T131 PolarHBondContact O-N 2.83Å; I99-L132 PolarHBondContact O-N 3.44Å; I99-L132 VanDerWaalsContact O-N 3.08Å
100	Y	96.4	Very high	76	Confident	2 Å²	2	76 Å²	76	1%	0.008	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.9	171.9	75.1	-80.9	0	0	0	113.5	L102 D112 M115 T116 W120 K121 R122 T123 L132	Y100-L102 HydrophobicContact CD2-CB 4.13Å; Y100-L102 HydrophobicContact CE2-CB 4.15Å; Y100-L102 HydrophobicContact CE2-CD2 4.22Å; Y100-D112 WeakPolarHBondContact CE2-OD1 3.42Å; Y100-D112 PolarHBondContact OH-OD1 3.45Å; Y100-M115 HydrophobicContact CD1-CB 3.72Å; Y100-M115 HydrophobicContact CD1-CG 4.34Å; Y100-M115 HydrophobicContact CD2-CB 3.99Å; Y100-M115 HydrophobicContact CD2-CG 3.96Å; Y100-M115 HydrophobicContact CE1-CB 3.55Å; Y100-M115 HydrophobicContact CE2-CB 3.84Å; Y100-M115 HydrophobicContact CE2-CG 4.16Å; Y100-M115 HydrophobicContact CG-CB 3.94Å; Y100-M115 HydrophobicContact CG-CG 4.05Å; Y100-T116 PolarHBondContact OH-OG1 2.79Å; Y100-W120 HydrophobicContact CD1-CB 3.75Å; Y100-W120 HydrophobicContact CE1-CB 4.23Å; Y100-K121 PolarHBondContact N-O 3.14Å; Y100-R122 HydrophobicContact CD1-CB 4.47Å; Y100-R122 HydrophobicContact CD2-CG 4.45Å; Y100-R122 HydrophobicContact CE1-CB 3.77Å; Y100-R122 HydrophobicContact CE1-CG 4.34Å; Y100-R122 HydrophobicContact CE2-CB 4.17Å; Y100-R122 HydrophobicContact CE2-CG 3.81Å; Y100-R122 CarbonylContact O-C 3.55Å; Y100-R122 WeakPolarHBondContact O-CA 3.49Å; Y100-T123 PolarHBondContact O-N 2.81Å; Y100-L132 CarbonylContact C-O 3.56Å; Y100-L132 VanDerWaalsContact CA-O 3.23Å; Y100-L132 WeakPolarHBondContact CA-O 3.41Å
101	Y	96.3	Very high	78.8	Confident	22 Å²	22	68.5 Å²	68.5	9%	0.086	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.7	165.2	176.1	-86.2	0	0	0	109.7	T123 D125 R126 L132 R133 W134 T135	Y101-T123 HydrophobicContact CD2-CG2 4.43Å; Y101-D125 WeakPolarHBondContact CD2-O 3.24Å; Y101-R126 HydrophobicContact CE2-CB 4.22Å; Y101-R126 HydrophobicContact CE2-CG 3.82Å; Y101-L132 PolarHBondContact N-O 3.34Å; Y101-R133 HydrophobicContact CD1-CG 3.81Å; Y101-R133 HydrophobicContact CG-CG 4.39Å; Y101-W134 PolarHBondContact O-N 3.03Å; Y101-T135 HydrophobicContact CE1-CG2 4.42Å
102	L	95.5	Very high	81.9	Confident	8 Å²	8	61.6 Å²	61.6	4%	0.042	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	115.9	-178.5	174.2	60.3	0	0	0	110.7	Y100 S108 I111 D112 W134	Y100-L102 HydrophobicContact CD2-CB 4.13Å; Y100-L102 HydrophobicContact CE2-CB 4.15Å; Y100-L102 HydrophobicContact CE2-CD2 4.22Å; L102-S108 WeakPolarHBondContact CD2-O 3.42Å; L102-I111 HydrophobicContact CD1-CB 4.04Å; L102-I111 HydrophobicContact CD1-CG2 3.95Å; L102-I111 HydrophobicContact CD2-CB 4.38Å; L102-I111 HydrophobicContact CD2-CG2 4.42Å; L102-D112 HydrophobicContact CD2-CB 3.65Å; L102-W134 HydrophobicContact CD1-CB 3.86Å; L102-W134 HydrophobicContact CD1-CG 4Å
103	S	92.4	Very high	84.9	Confident	8 Å²	8	60.5 Å²	60.5	6%	0.056	31%	0.311	C	S	.	.			trans	-61.9	145.4	171.1	61.6	0	0	0	0	111.8	S108 W134 T135 E136	S103-S108 WeakPolarHBondContact O-CB 3.24Å; S103-W134 PolarHBondContact N-O 3.25Å; S103-T135 VanDerWaalsContact OG-CA 3.31Å; S103-T135 WeakPolarHBondContact OG-CA 3.27Å; S103-E136 PolarHBondContact OG-N 2.82Å
104	R	87.7	Confident	87.9	Confident	228 Å²	228	57.8 Å²	57.8	86%	0.86	30%	0.295	S	S	*	.	S	Bend	trans	-67.5	144	163.5	-64.9	-175.9	178.2	-170.6	-1.9	109.4
105	G	87.9	Confident	90.5	Very high	32 Å²	32	51.8 Å²	51.8	33%	0.33	26%	0.256	S	S	.	.			trans	131.4	-174.4	178.2	0	0	0	0	0	112.5	N107 S108 E136	G105-N107 VanDerWaalsContact C-N 3.32Å; G105-N107 PolarHBondContact O-N 3.05Å; G105-S108 VanDerWaalsContact O-CB 3.27Å; G105-S108 WeakPolarHBondContact O-CB 3.38Å; G105-S108 PolarHBondContact O-N 2.56Å; G105-S108 PolarHBondContact O-OG 2.98Å; G105-E136 WeakPolarHBondContact CA-OE1 3.18Å
106	N	90.4	Very high	92.4	Very high	31 Å²	31	49.7 Å²	49.7	17%	0.166	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	13.1	61.1	179.2	-165.4	23.4	0	0	0	117.9	S108 E136 N422 P423 A424 L425	N106-S108 VanDerWaalsContact C-N 3.31Å; N106-S108 PolarHBondContact O-N 2.82Å; N106-E136 WeakPolarHBondContact CB-OE1 3.44Å; N106-E136 PolarHBondContact N-OE1 2.7Å; N106-N422 PolarHBondContact ND2-O 2.69Å; N106-N422 PolarHBondContact ND2-OD1 3.45Å; N106-P423 PolarHBondContact ND2-O 3.17Å; N106-A424 WeakPolarHBondContact OD1-CA 3.38Å; N106-L425 PolarHBondContact OD1-N 2.85Å
107	N	90.3	Very high	93.2	Very high	51 Å²	51	47.9 Å²	47.9	27%	0.273	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	44.6	-176.5	-158.4	12.9	0	0	0	114.9	G105 Q109 L110 L425	G105-N107 VanDerWaalsContact C-N 3.32Å; G105-N107 PolarHBondContact O-N 3.05Å; N107-Q109 PolarHBondContact O-N 3.41Å; N107-L110 WeakPolarHBondContact ND2-CD1 3.36Å; N107-L110 PolarHBondContact O-N 3.48Å; N107-L110 VanDerWaalsContact O-N 3.07Å; N107-L425 HydrophobicContact CB-CB 4.14Å; N107-L425 WeakPolarHBondContact CB-O 3.34Å; N107-L425 PolarHBondContact ND2-O 2.83Å
108	S	92.5	Very high	93.4	Very high	23 Å²	23	45.5 Å²	45.5	16%	0.161	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-22.3	-177.5	57	0	0	0	0	114.3	L102 S103 G105 N106 L110 I111 D112	L102-S108 WeakPolarHBondContact CD2-O 3.42Å; S103-S108 WeakPolarHBondContact O-CB 3.24Å; G105-S108 VanDerWaalsContact O-CB 3.27Å; G105-S108 WeakPolarHBondContact O-CB 3.38Å; G105-S108 PolarHBondContact O-N 2.56Å; G105-S108 PolarHBondContact O-OG 2.98Å; N106-S108 VanDerWaalsContact C-N 3.31Å; N106-S108 PolarHBondContact O-N 2.82Å; S108-L110 PolarHBondContact O-N 2.94Å; S108-I111 PolarHBondContact O-N 3.17Å; S108-I111 VanDerWaalsContact O-N 3.11Å; S108-D112 PolarHBondContact O-N 2.93Å
109	Q	93.8	Very high	93.4	Very high	106 Å²	106	46.3 Å²	46.3	50%	0.495	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-27.7	176.8	-162.3	58	40.9	0	0	113.4	N107 D112 T113	N107-Q109 PolarHBondContact O-N 3.41Å; Q109-D112 PolarHBondContact NE2-OD2 2.82Å; Q109-D112 PolarHBondContact O-N 2.71Å; Q109-T113 WeakPolarHBondContact O-CB 3.16Å; Q109-T113 PolarHBondContact O-N 3.17Å; Q109-T113 PolarHBondContact O-OG1 2.96Å
110	L	94.8	Very high	93.4	Very high	30 Å²	30	46 Å²	46	16%	0.157	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-46.4	173.4	-67.3	178.5	0	0	0	111.5	N107 S108 D112 T113 V114 L425 T427 V436 P437 V440	N107-L110 WeakPolarHBondContact ND2-CD1 3.36Å; N107-L110 PolarHBondContact O-N 3.48Å; N107-L110 VanDerWaalsContact O-N 3.07Å; S108-L110 PolarHBondContact O-N 2.94Å; L110-D112 VanDerWaalsContact C-N 3.34Å; L110-T113 PolarHBondContact O-N 2.66Å; L110-V114 WeakPolarHBondContact O-CG2 3.17Å; L110-V114 PolarHBondContact O-N 3.45Å; L110-V114 VanDerWaalsContact O-N 3.14Å; L110-L425 HydrophobicContact CD1-CB 4.38Å; L110-T427 HydrophobicContact CD1-CG2 4.21Å; L110-V436 HydrophobicContact CD1-CG1 3.98Å; L110-P437 HydrophobicContact CD2-CB 4.17Å; L110-P437 HydrophobicContact CD2-CG 4.04Å; L110-V440 HydrophobicContact CB-CG1 4.18Å; L110-V440 HydrophobicContact CD1-CG2 4.39Å
111	I	95.9	Very high	93.3	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-43.5	175.6	-63.2	89.7	0	0	0	109.7	L102 S108 T113 V114 M115 W134 L425 V440 L444	L102-I111 HydrophobicContact CD1-CB 4.04Å; L102-I111 HydrophobicContact CD1-CG2 3.95Å; L102-I111 HydrophobicContact CD2-CB 4.38Å; L102-I111 HydrophobicContact CD2-CG2 4.42Å; S108-I111 PolarHBondContact O-N 3.17Å; S108-I111 VanDerWaalsContact O-N 3.11Å; I111-T113 VanDerWaalsContact C-N 3.28Å; I111-T113 PolarHBondContact O-N 2.86Å; I111-V114 PolarHBondContact O-N 2.92Å; I111-M115 HydrophobicContact CG2-CG 4.02Å; I111-M115 WeakPolarHBondContact O-CB 3.26Å; I111-M115 VanDerWaalsContact O-CG 3.28Å; I111-M115 WeakPolarHBondContact O-CG 3.37Å; I111-M115 PolarHBondContact O-N 3.39Å; I111-W134 HydrophobicContact CD1-CD2 4.48Å; I111-W134 HydrophobicContact CD1-CZ2 4.07Å; I111-W134 HydrophobicContact CG1-CD2 3.85Å; I111-W134 HydrophobicContact CG1-CE3 4.14Å; I111-W134 HydrophobicContact CG1-CG 4.33Å; I111-W134 HydrophobicContact CG1-CH2 4.26Å; I111-W134 HydrophobicContact CG1-CZ2 3.98Å; I111-W134 HydrophobicContact CG1-CZ3 4.34Å; I111-W134 HydrophobicContact CG2-CB 4.34Å; I111-W134 HydrophobicContact CG2-CD2 4.2Å; I111-W134 HydrophobicContact CG2-CE3 4.26Å; I111-W134 HydrophobicContact CG2-CG 4.23Å; I111-L425 HydrophobicContact CD1-CD1 3.87Å; I111-V440 HydrophobicContact CD1-CG1 4.24Å; I111-V440 HydrophobicContact CG1-CG1 4.01Å; I111-L444 HydrophobicContact CB-CD1 4.43Å; I111-L444 HydrophobicContact CG1-CD1 4.32Å; I111-L444 HydrophobicContact CG2-CD1 4.12Å
112	D	95.8	Very high	93.3	Very high	16 Å²	16	54.3 Å²	54.3	9%	0.086	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-40.5	179.2	-151	48.7	0	0	0	112.5	Y100 L102 S108 Q109 L110 T116 R122	Y100-D112 WeakPolarHBondContact CE2-OD1 3.42Å; Y100-D112 PolarHBondContact OH-OD1 3.45Å; L102-D112 HydrophobicContact CD2-CB 3.65Å; S108-D112 PolarHBondContact O-N 2.93Å; Q109-D112 PolarHBondContact NE2-OD2 2.82Å; Q109-D112 PolarHBondContact O-N 2.71Å; L110-D112 VanDerWaalsContact C-N 3.34Å; D112-T116 VanDerWaalsContact O-CB 3.29Å; D112-T116 WeakPolarHBondContact O-CB 3.5Å; D112-T116 PolarHBondContact O-N 2.9Å; D112-T116 PolarHBondContact O-OG1 3.02Å; D112-R122 VanDerWaalsContact OD1-CD 3.24Å; D112-R122 WeakPolarHBondContact OD1-CD 3.38Å; D112-R122 IonicContact OD1-CZ 3.39Å; D112-R122 IonicContact OD1-NE 2.68Å; D112-R122 PolarHBondContact OD1-NE 2.81Å; D112-R122 IonicContact OD1-NH1 2.68Å; D112-R122 PolarHBondContact OD1-NH1 3.22Å; D112-R122 IonicContact OD2-CZ 3.22Å; D112-R122 IonicContact OD2-NH1 3.16Å; D112-R122 PolarHBondContact OD2-NH1 2.94Å
113	T	95.4	Very high	93.2	Very high	61 Å²	61	55.1 Å²	55.1	37%	0.374	29%	0.285	S	S	.	.	H	α-helix	trans	-64.9	-52.8	177.3	-54.1	0	0	0	0	110.6	Q109 L110 I111 M115 T116 E117	Q109-T113 WeakPolarHBondContact O-CB 3.16Å; Q109-T113 PolarHBondContact O-N 3.17Å; Q109-T113 PolarHBondContact O-OG1 2.96Å; L110-T113 PolarHBondContact O-N 2.66Å; I111-T113 VanDerWaalsContact C-N 3.28Å; I111-T113 PolarHBondContact O-N 2.86Å; T113-M115 PolarHBondContact O-N 2.76Å; T113-T116 PolarHBondContact O-N 3Å; T113-T116 VanDerWaalsContact O-N 3.14Å; T113-E117 WeakPolarHBondContact O-CG 3.4Å; T113-E117 PolarHBondContact O-N 2.86Å
114	V	94.9	Very high	93.3	Very high	9 Å²	9	62.3 Å²	62.3	6%	0.055	32%	0.316	C	S	.	.	H	α-helix	trans	-60.7	-43.1	179.4	175.7	0	0	0	0	111.8	L110 I111 T116 E117 L118 K441 L444	L110-V114 WeakPolarHBondContact O-CG2 3.17Å; L110-V114 PolarHBondContact O-N 3.45Å; L110-V114 VanDerWaalsContact O-N 3.14Å; I111-V114 PolarHBondContact O-N 2.92Å; V114-T116 VanDerWaalsContact C-N 3.31Å; V114-T116 PolarHBondContact O-N 3.22Å; V114-E117 PolarHBondContact O-N 3.49Å; V114-L118 HydrophobicContact CG1-CD1 4.28Å; V114-L118 WeakPolarHBondContact O-CG 3.37Å; V114-L118 PolarHBondContact O-N 2.86Å; V114-L118 VanDerWaalsContact O-N 3.11Å; V114-K441 HydrophobicContact CG1-CG 4.24Å; V114-K441 HydrophobicContact CG2-CB 3.83Å; V114-K441 HydrophobicContact CG2-CD 4.36Å; V114-K441 HydrophobicContact CG2-CG 4.01Å; V114-L444 HydrophobicContact CB-CD1 3.83Å; V114-L444 HydrophobicContact CG1-CB 4.08Å; V114-L444 HydrophobicContact CG1-CD1 3.69Å; V114-L444 HydrophobicContact CG2-CD1 4.39Å
115	M	94.7	Very high	93.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.3	-30.5	178.2	-62.3	-47.7	-56.4	0	0	112.7	Y100 I111 T113 L118 W120 L132 L444 I448	Y100-M115 HydrophobicContact CD1-CB 3.72Å; Y100-M115 HydrophobicContact CD1-CG 4.34Å; Y100-M115 HydrophobicContact CD2-CB 3.99Å; Y100-M115 HydrophobicContact CD2-CG 3.96Å; Y100-M115 HydrophobicContact CE1-CB 3.55Å; Y100-M115 HydrophobicContact CE2-CB 3.84Å; Y100-M115 HydrophobicContact CE2-CG 4.16Å; Y100-M115 HydrophobicContact CG-CB 3.94Å; Y100-M115 HydrophobicContact CG-CG 4.05Å; I111-M115 HydrophobicContact CG2-CG 4.02Å; I111-M115 WeakPolarHBondContact O-CB 3.26Å; I111-M115 VanDerWaalsContact O-CG 3.28Å; I111-M115 WeakPolarHBondContact O-CG 3.37Å; I111-M115 PolarHBondContact O-N 3.39Å; T113-M115 PolarHBondContact O-N 2.76Å; M115-L118 HydrophobicContact SD-CD1 4.49Å; M115-W120 HydrophobicContact CE-CB 4.09Å; M115-W120 HydrophobicContact CE-CD2 3.21Å; M115-W120 HydrophobicContact CE-CE3 3.28Å; M115-W120 HydrophobicContact CE-CG 3.62Å; M115-W120 HydrophobicContact CE-CH2 4.26Å; M115-W120 HydrophobicContact CE-CZ2 4.23Å; M115-W120 HydrophobicContact CE-CZ3 3.82Å; M115-W120 WeakPolarHBondContact O-CB 3.48Å; M115-W120 PolarHBondContact O-N 3.37Å; M115-L132 HydrophobicContact CE-CD1 3.93Å; M115-L132 HydrophobicContact SD-CD1 3.91Å; M115-L444 HydrophobicContact SD-CD1 4.37Å; M115-L444 HydrophobicContact SD-CD2 4.08Å; M115-I448 HydrophobicContact CE-CD1 4.15Å; M115-I448 HydrophobicContact SD-CD1 4.27Å
116	T	94	Very high	93.4	Very high	85 Å²	85	61.6 Å²	61.6	52%	0.521	31%	0.309	S	S	.	.	H	α-helix	trans	-74.4	-39.9	174.7	-57.1	0	0	0	0	111.8	Y100 D112 T113 V114 L118 G119	Y100-T116 PolarHBondContact OH-OG1 2.79Å; D112-T116 VanDerWaalsContact O-CB 3.29Å; D112-T116 WeakPolarHBondContact O-CB 3.5Å; D112-T116 PolarHBondContact O-N 2.9Å; D112-T116 PolarHBondContact O-OG1 3.02Å; T113-T116 PolarHBondContact O-N 3Å; T113-T116 VanDerWaalsContact O-N 3.14Å; V114-T116 VanDerWaalsContact C-N 3.31Å; V114-T116 PolarHBondContact O-N 3.22Å; T116-L118 PolarHBondContact O-N 3.35Å; T116-G119 WeakPolarHBondContact O-CA 3.36Å; T116-G119 PolarHBondContact O-N 3.25Å
117	E	92.8	Very high	93.3	Very high	116 Å²	116	68.1 Å²	68.1	54%	0.542	34%	0.338	S	S	.	.	H	α-helix	trans	-58	-37	172.2	-75.4	175.5	-163.7	0	0	111.8	T113 V114 G119 K441	T113-E117 WeakPolarHBondContact O-CG 3.4Å; T113-E117 PolarHBondContact O-N 2.86Å; V114-E117 PolarHBondContact O-N 3.49Å; E117-G119 PolarHBondContact O-N 2.97Å; E117-K441 IonicContact OE2-NZ 3.4Å; E117-K441 PolarHBondContact OE2-NZ 2.88Å
118	L	91.8	Very high	93.2	Very high	50 Å²	50	67 Å²	67	26%	0.262	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-1.4	174.4	-65	173	0	0	0	114	V114 M115 T116 W120 I448 L466	V114-L118 HydrophobicContact CG1-CD1 4.28Å; V114-L118 WeakPolarHBondContact O-CG 3.37Å; V114-L118 PolarHBondContact O-N 2.86Å; V114-L118 VanDerWaalsContact O-N 3.11Å; M115-L118 HydrophobicContact SD-CD1 4.49Å; T116-L118 PolarHBondContact O-N 3.35Å; L118-W120 PolarHBondContact O-N 2.95Å; L118-I448 HydrophobicContact CD1-CD1 3.82Å; L118-L466 HydrophobicContact CD1-CD1 3.68Å; L118-L466 HydrophobicContact CD2-CB 4.2Å; L118-L466 HydrophobicContact CD2-CD1 3.58Å; L118-L466 HydrophobicContact CG-CD1 4.3Å
119	G	92.9	Very high	93	Very high	51 Å²	51	69 Å²	69	53%	0.526	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	17	179.4	0	0	0	0	0	115.2	I97 T116 E117	I97-G119 WeakPolarHBondContact CG2-O 3.36Å; T116-G119 WeakPolarHBondContact O-CA 3.36Å; T116-G119 PolarHBondContact O-N 3.25Å; E117-G119 PolarHBondContact O-N 2.97Å
120	W	94.5	Very high	93	Very high	37 Å²	37	64.7 Å²	64.7	14%	0.14	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-79.3	148.9	179.5	-67.8	38.8	0	0	0	110.8	P98 Y100 M115 L118 T131 L132 I448	P98-W120 HydrophobicContact CB-CD2 3.4Å; P98-W120 VanDerWaalsContact CB-CD2 3.4Å; P98-W120 HydrophobicContact CB-CE3 3.51Å; P98-W120 HydrophobicContact CB-CG 3.87Å; P98-W120 HydrophobicContact CB-CH2 4.17Å; P98-W120 HydrophobicContact CB-CZ2 4.07Å; P98-W120 HydrophobicContact CB-CZ3 3.9Å; P98-W120 HydrophobicContact CG-CD2 4.28Å; P98-W120 HydrophobicContact CG-CZ2 4.48Å; Y100-W120 HydrophobicContact CD1-CB 3.75Å; Y100-W120 HydrophobicContact CE1-CB 4.23Å; M115-W120 HydrophobicContact CE-CB 4.09Å; M115-W120 HydrophobicContact CE-CD2 3.21Å; M115-W120 HydrophobicContact CE-CE3 3.28Å; M115-W120 HydrophobicContact CE-CG 3.62Å; M115-W120 HydrophobicContact CE-CH2 4.26Å; M115-W120 HydrophobicContact CE-CZ2 4.23Å; M115-W120 HydrophobicContact CE-CZ3 3.82Å; M115-W120 WeakPolarHBondContact O-CB 3.48Å; M115-W120 PolarHBondContact O-N 3.37Å; L118-W120 PolarHBondContact O-N 2.95Å; W120-T131 HydrophobicContact CH2-CG2 3.67Å; W120-T131 HydrophobicContact CZ3-CG2 3.63Å; W120-L132 HydrophobicContact CE3-CB 4.26Å; W120-L132 HydrophobicContact CH2-CB 4.35Å; W120-L132 HydrophobicContact CZ3-CB 3.56Å; W120-I448 HydrophobicContact CH2-CD1 4.48Å; W120-I448 HydrophobicContact CZ2-CD1 4.13Å; W120-I448 HydrophobicContact CZ2-CG1 4.46Å; W120-I448 HydrophobicContact CZ2-CG2 4.24Å
121	K	95.1	Very high	93.1	Very high	138 Å²	138	64.8 Å²	64.8	60%	0.6	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.6	179.8	-174.8	172.3	-178.2	175.6	0	111.5	I97 P98 I99 Y100	I97-K121 HydrophobicContact CG2-CB 4.03Å; P98-K121 PolarHBondContact O-N 3.23Å; I99-K121 CarbonylContact C-O 3.59Å; I99-K121 VanDerWaalsContact CA-O 3.27Å; I99-K121 WeakPolarHBondContact CA-O 3.46Å; Y100-K121 PolarHBondContact N-O 3.14Å
122	R	95.9	Very high	93.1	Very high	59 Å²	59	64.8 Å²	64.8	22%	0.223	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	138.4	172.2	-162.8	173.7	-174.6	168	2.5	111.5	Y100 D112 F124	Y100-R122 HydrophobicContact CD1-CB 4.47Å; Y100-R122 HydrophobicContact CD2-CG 4.45Å; Y100-R122 HydrophobicContact CE1-CB 3.77Å; Y100-R122 HydrophobicContact CE1-CG 4.34Å; Y100-R122 HydrophobicContact CE2-CB 4.17Å; Y100-R122 HydrophobicContact CE2-CG 3.81Å; Y100-R122 CarbonylContact O-C 3.55Å; Y100-R122 WeakPolarHBondContact O-CA 3.49Å; D112-R122 VanDerWaalsContact OD1-CD 3.24Å; D112-R122 WeakPolarHBondContact OD1-CD 3.38Å; D112-R122 IonicContact OD1-CZ 3.39Å; D112-R122 IonicContact OD1-NE 2.68Å; D112-R122 PolarHBondContact OD1-NE 2.81Å; D112-R122 IonicContact OD1-NH1 2.68Å; D112-R122 PolarHBondContact OD1-NH1 3.22Å; D112-R122 IonicContact OD2-CZ 3.22Å; D112-R122 IonicContact OD2-NH1 3.16Å; D112-R122 PolarHBondContact OD2-NH1 2.94Å; R122-F124 HydrophobicContact CG-CE1 4.5Å; R122-F124 HydrophobicContact CG-CZ 4.31Å
123	T	94.9	Very high	93.2	Very high	25 Å²	25	65.5 Å²	65.5	15%	0.153	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	143.2	160.1	-172.7	0	0	0	0	111.2	I99 Y100 Y101 D125 A128	I99-T123 HydrophobicContact CG2-CG2 3.7Å; Y100-T123 PolarHBondContact O-N 2.81Å; Y101-T123 HydrophobicContact CD2-CG2 4.43Å; T123-D125 PolarHBondContact OG1-N 3.07Å; T123-A128 HydrophobicContact CG2-CB 4.48Å
124	F	92.9	Very high	93.2	Very high	160 Å²	160	63.3 Å²	63.3	70%	0.702	31%	0.312	S	S	*	.			trans	-102.7	-16	174.2	-63	-79.1	0	0	0	112.6	R122	R122-F124 HydrophobicContact CG-CE1 4.5Å; R122-F124 HydrophobicContact CG-CZ 4.31Å
125	D	91.5	Very high	93.2	Very high	79 Å²	79	62.9 Å²	62.9	42%	0.422	31%	0.31	S	S	.	.			trans	-72.5	134.1	171.2	176.8	21.5	0	0	0	109.9	Y101 T123 H127 A128	Y101-D125 WeakPolarHBondContact CD2-O 3.24Å; T123-D125 PolarHBondContact OG1-N 3.07Å; D125-H127 VanDerWaalsContact C-N 3.31Å; D125-H127 IonicContact OD1-CD2 2.72Å; D125-H127 IonicContact OD1-CG 3.46Å; D125-H127 PolarHBondContact OD1-N 3.42Å; D125-A128 HydrophobicContact CB-CB 3.92Å; D125-A128 WeakPolarHBondContact OD2-CB 3.45Å; D125-A128 PolarHBondContact OD2-N 2.91Å
126	R	87.3	Confident	93.1	Very high	165 Å²	165	65.4 Å²	65.4	62%	0.623	32%	0.322	S	S	*	.	S	Bend	trans	-79.2	-17.5	-179.3	-55.5	-175.6	177.6	176.9	1.2	112.6	Y101 R133	Y101-R126 HydrophobicContact CE2-CB 4.22Å; Y101-R126 HydrophobicContact CE2-CG 3.82Å; R126-R133 PolarHBondContact O-NH1 3.36Å; R126-R133 VanDerWaalsContact O-NH1 3.09Å; R126-R133 PolarHBondContact O-NH2 2.97Å
127	H	87.4	Confident	92.9	Very high	168 Å²	168	65.5 Å²	65.5	78%	0.778	32%	0.319	S	S	*	.	S	Bend	trans	-109	-19.6	-172.1	-58.9	-74.2	0	0	0	113.7	D125	D125-H127 VanDerWaalsContact C-N 3.31Å; D125-H127 IonicContact OD1-CD2 2.72Å; D125-H127 IonicContact OD1-CG 3.46Å; D125-H127 PolarHBondContact OD1-N 3.42Å
128	A	88	Confident	92.8	Very high	28 Å²	28	61.7 Å²	61.7	23%	0.231	31%	0.305	C	S	.	.	S	Bend	trans	-53.5	150	170.6	0	0	0	0	0	113.1	T123 D125	T123-A128 HydrophobicContact CG2-CB 4.48Å; D125-A128 HydrophobicContact CB-CB 3.92Å; D125-A128 WeakPolarHBondContact OD2-CB 3.45Å; D125-A128 PolarHBondContact OD2-N 2.91Å
129	D	89.5	Confident	92.6	Very high	65 Å²	65	65.7 Å²	65.7	35%	0.348	33%	0.325	S	S	.	.			trans	-65.6	145.3	171	-165.1	31.1	0	0	0	110.6	K96 K147 Q151	K96-D129 IonicContact NZ-OD2 3.67Å; D129-K147 WeakPolarHBondContact OD1-CE 3.28Å; D129-K147 IonicContact OD1-NZ 3.8Å; D129-K147 PolarHBondContact OD1-NZ 3.38Å; D129-K147 IonicContact OD2-NZ 2.59Å; D129-K147 PolarHBondContact OD2-NZ 3.04Å; D129-Q151 PolarHBondContact OD1-NE2 2.84Å
130	Y	94	Very high	92.5	Very high	16 Å²	16	67 Å²	67	6%	0.063	32%	0.318	C	S	.	.			trans	-140.6	158.2	-174.5	55.9	-93.8	0	0	0	110	R133 Q151 V153	Y130-R133 HydrophobicContact CD1-CB 4.36Å; Y130-R133 HydrophobicContact CD2-CB 3.6Å; Y130-R133 HydrophobicContact CE1-CB 4.29Å; Y130-R133 VanDerWaalsContact CE1-NH1 3.28Å; Y130-R133 HydrophobicContact CE2-CB 3.5Å; Y130-R133 HydrophobicContact CE2-CG 4.5Å; Y130-R133 HydrophobicContact CG-CB 4.05Å; Y130-Q151 HydrophobicContact CD2-CB 4.42Å; Y130-Q151 HydrophobicContact CD2-CG 4.02Å; Y130-Q151 HydrophobicContact CE2-CB 3.88Å; Y130-Q151 VanDerWaalsContact CE2-CD 3.46Å; Y130-Q151 HydrophobicContact CE2-CG 3.7Å; Y130-Q151 WeakPolarHBondContact O-CG 3.3Å; Y130-Q151 PolarHBondContact OH-OE1 3.03Å; Y130-Q151 VanDerWaalsContact OH-OE1 3.08Å; Y130-V153 HydrophobicContact CE2-CG1 4.3Å
131	T	95.4	Very high	92.4	Very high	32 Å²	32	65.6 Å²	65.6	20%	0.196	31%	0.313	C	S	.	.	S	Bend	trans	-94.5	-38.4	165.4	-48.8	0	0	0	0	110	P98 I99 W120 Q151 L152	P98-T131 HydrophobicContact CB-CG2 4.31Å; I99-T131 PolarHBondContact N-OG1 2.66Å; I99-T131 WeakPolarHBondContact O-CA 3.31Å; I99-T131 WeakPolarHBondContact O-CB 3.28Å; I99-T131 PolarHBondContact O-N 2.83Å; W120-T131 HydrophobicContact CH2-CG2 3.67Å; W120-T131 HydrophobicContact CZ3-CG2 3.63Å; T131-Q151 CarbonylContact O-C 3.52Å; T131-Q151 WeakPolarHBondContact O-CA 3.36Å; T131-L152 PolarHBondContact O-N 3.01Å
132	L	97	Very high	92.2	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.6	174	-176.9	156.5	0	0	0	111	I99 Y100 Y101 M115 W120 W134 L152 L444 I448	I99-L132 PolarHBondContact O-N 3.44Å; I99-L132 VanDerWaalsContact O-N 3.08Å; Y100-L132 CarbonylContact C-O 3.56Å; Y100-L132 VanDerWaalsContact CA-O 3.23Å; Y100-L132 WeakPolarHBondContact CA-O 3.41Å; Y101-L132 PolarHBondContact N-O 3.34Å; M115-L132 HydrophobicContact CE-CD1 3.93Å; M115-L132 HydrophobicContact SD-CD1 3.91Å; W120-L132 HydrophobicContact CE3-CB 4.26Å; W120-L132 HydrophobicContact CH2-CB 4.35Å; W120-L132 HydrophobicContact CZ3-CB 3.56Å; L132-W134 HydrophobicContact CD2-CB 4.02Å; L132-L152 CarbonylContact C-O 3.53Å; L132-L152 WeakPolarHBondContact CA-O 3.37Å; L132-L152 HydrophobicContact CD1-CD2 4.06Å; L132-L444 HydrophobicContact CD1-CD2 4.04Å; L132-I448 HydrophobicContact CD1-CD1 4.49Å
133	R	96.6	Very high	92	Very high	32 Å²	32	61.2 Å²	61.2	12%	0.121	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	106.8	171.5	-179.9	-175.1	-159.7	102.4	2.9	109.9	Y101 R126 Y130 T135 Q140 L152 V153 N154	Y101-R133 HydrophobicContact CD1-CG 3.81Å; Y101-R133 HydrophobicContact CG-CG 4.39Å; R126-R133 PolarHBondContact O-NH1 3.36Å; R126-R133 VanDerWaalsContact O-NH1 3.09Å; R126-R133 PolarHBondContact O-NH2 2.97Å; Y130-R133 HydrophobicContact CD1-CB 4.36Å; Y130-R133 HydrophobicContact CD2-CB 3.6Å; Y130-R133 HydrophobicContact CE1-CB 4.29Å; Y130-R133 VanDerWaalsContact CE1-NH1 3.28Å; Y130-R133 HydrophobicContact CE2-CB 3.5Å; Y130-R133 HydrophobicContact CE2-CG 4.5Å; Y130-R133 HydrophobicContact CG-CB 4.05Å; R133-T135 HydrophobicContact CG-CG2 4.1Å; R133-Q140 PolarHBondContact NE-O 3.07Å; R133-L152 PolarHBondContact N-O 3Å; R133-V153 HydrophobicContact CB-CG1 4.2Å; R133-N154 PolarHBondContact O-OD1 3.38Å
134	W	96.8	Very high	91.7	Very high	14 Å²	14	63.4 Å²	63.4	5%	0.053	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131	172.8	-166.2	-74.2	0	0	0	110.5	Y101 L102 S103 I111 L132 N154 F399 L444	Y101-W134 PolarHBondContact O-N 3.03Å; L102-W134 HydrophobicContact CD1-CB 3.86Å; L102-W134 HydrophobicContact CD1-CG 4Å; S103-W134 PolarHBondContact N-O 3.25Å; I111-W134 HydrophobicContact CD1-CD2 4.48Å; I111-W134 HydrophobicContact CD1-CZ2 4.07Å; I111-W134 HydrophobicContact CG1-CD2 3.85Å; I111-W134 HydrophobicContact CG1-CE3 4.14Å; I111-W134 HydrophobicContact CG1-CG 4.33Å; I111-W134 HydrophobicContact CG1-CH2 4.26Å; I111-W134 HydrophobicContact CG1-CZ2 3.98Å; I111-W134 HydrophobicContact CG1-CZ3 4.34Å; I111-W134 HydrophobicContact CG2-CB 4.34Å; I111-W134 HydrophobicContact CG2-CD2 4.2Å; I111-W134 HydrophobicContact CG2-CE3 4.26Å; I111-W134 HydrophobicContact CG2-CG 4.23Å; L132-W134 HydrophobicContact CD2-CB 4.02Å; W134-N154 WeakPolarHBondContact CA-OD1 3.28Å; W134-N154 HydrophobicContact CD2-CB 3.98Å; W134-N154 HydrophobicContact CE3-CB 3.84Å; W134-N154 HydrophobicContact CG-CB 4.46Å; W134-N154 HydrophobicContact CZ3-CB 4.22Å; W134-F399 HydrophobicContact CE3-CE2 4.45Å; W134-F399 AromaticContact CE3-CZ 3.88Å; W134-F399 HydrophobicContact CE3-CZ 3.88Å; W134-F399 HydrophobicContact CH2-CE2 4.45Å; W134-F399 AromaticContact CZ3-CE2 3.78Å; W134-F399 HydrophobicContact CZ3-CE2 3.78Å; W134-F399 AromaticContact CZ3-CZ 3.65Å; W134-F399 HydrophobicContact CZ3-CZ 3.65Å; W134-L444 HydrophobicContact CE3-CD2 3.85Å; W134-L444 HydrophobicContact CZ3-CD2 3.61Å; W134-L444 HydrophobicContact CZ3-CG 4.11Å
135	T	95.2	Very high	91.6	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.323	C	S	.	.			trans	-138.5	156.3	-174.8	46.7	0	0	0	0	111.2	Y101 S103 R133 Q140 I141 N154 H155	Y101-T135 HydrophobicContact CE1-CG2 4.42Å; S103-T135 VanDerWaalsContact OG-CA 3.31Å; S103-T135 WeakPolarHBondContact OG-CA 3.27Å; R133-T135 HydrophobicContact CG-CG2 4.1Å; T135-Q140 HydrophobicContact CG2-CB 3.55Å; T135-I141 HydrophobicContact CG2-CG1 4.26Å; T135-I141 WeakPolarHBondContact OG1-CD1 3.45Å; T135-N154 PolarHBondContact N-OD1 2.85Å; T135-N154 PolarHBondContact O-ND2 3.35Å; T135-N154 PolarHBondContact O-OD1 3.45Å; T135-N154 PolarHBondContact OG1-OD1 2.9Å; T135-H155 PolarHBondContact O-NE2 2.66Å; T135-H155 PolarHBondContact OG1-CD2 3.22Å
136	E	92.7	Very high	91.7	Very high	54 Å²	54	58.6 Å²	58.6	25%	0.252	31%	0.307	S	S	.	.	S	Bend	trans	-80.5	-21.6	174.2	-76.6	-161.4	131.3	0	0	113.7	S103 G105 N106 N422	S103-E136 PolarHBondContact OG-N 2.82Å; G105-E136 WeakPolarHBondContact CA-OE1 3.18Å; N106-E136 WeakPolarHBondContact CB-OE1 3.44Å; N106-E136 PolarHBondContact N-OE1 2.7Å; E136-N422 VanDerWaalsContact CA-ND2 3.34Å; E136-N422 WeakPolarHBondContact CA-ND2 3.19Å; E136-N422 WeakPolarHBondContact CB-ND2 3.48Å; E136-N422 WeakPolarHBondContact O-CB 3.23Å; E136-N422 PolarHBondContact O-ND2 3.24Å
137	N	89.2	Confident	92	Very high	87 Å²	87	54 Å²	54	47%	0.465	29%	0.291	S	S	.	.	S	Bend	trans	-147.7	135.2	-173	-72	-86.9	0	0	0	110	I139 Q140 H155	N137-I139 PolarHBondContact O-N 2.67Å; N137-Q140 VanDerWaalsContact O-CB 3.3Å; N137-Q140 WeakPolarHBondContact O-CB 3.3Å; N137-Q140 PolarHBondContact O-N 2.87Å; N137-H155 PolarHBondContact N-NE2 2.82Å
138	S	90.5	Very high	92.3	Very high	36 Å²	36	50 Å²	50	25%	0.252	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-54.9	-25.6	179.1	54.4	0	0	0	0	115	Q140 I141 H155	S138-Q140 PolarHBondContact O-N 2.67Å; S138-I141 PolarHBondContact O-N 2.78Å; S138-I141 VanDerWaalsContact O-N 3.07Å; S138-H155 PolarHBondContact N-CD2 3.05Å; S138-H155 VanDerWaalsContact N-CD2 3.35Å
139	I	88.4	Confident	92.5	Very high	134 Å²	134	49.8 Å²	49.8	69%	0.687	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-62.2	-20.8	174.1	-61.5	171.2	0	0	0	112.2	N137 I141	N137-I139 PolarHBondContact O-N 2.67Å; I139-I141 VanDerWaalsContact C-N 3.28Å
140	Q	90	Very high	92.7	Very high	77 Å²	77	52.1 Å²	52.1	36%	0.36	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-82.3	-2.4	176.6	-58.8	177.8	-4.3	0	0	113.5	R133 T135 N137 S138	R133-Q140 PolarHBondContact NE-O 3.07Å; T135-Q140 HydrophobicContact CG2-CB 3.55Å; N137-Q140 VanDerWaalsContact O-CB 3.3Å; N137-Q140 WeakPolarHBondContact O-CB 3.3Å; N137-Q140 PolarHBondContact O-N 2.87Å; S138-Q140 PolarHBondContact O-N 2.67Å
141	I	92.2	Very high	92.8	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.046	28%	0.28	C	S	.	.	S	Bend	trans	-108.2	121.9	175.8	-62.1	155.9	0	0	0	109	T135 S138 I139 Y143 V153 H155	T135-I141 HydrophobicContact CG2-CG1 4.26Å; T135-I141 WeakPolarHBondContact OG1-CD1 3.45Å; S138-I141 PolarHBondContact O-N 2.78Å; S138-I141 VanDerWaalsContact O-N 3.07Å; I139-I141 VanDerWaalsContact C-N 3.28Å; I141-Y143 HydrophobicContact CB-CD2 4.5Å; I141-Y143 HydrophobicContact CB-CE1 4.2Å; I141-Y143 HydrophobicContact CB-CE2 4.04Å; I141-Y143 HydrophobicContact CD1-CE1 4.44Å; I141-Y143 HydrophobicContact CG2-CD1 3.67Å; I141-Y143 HydrophobicContact CG2-CD2 4.22Å; I141-Y143 HydrophobicContact CG2-CE1 3.54Å; I141-Y143 HydrophobicContact CG2-CE2 4.09Å; I141-Y143 HydrophobicContact CG2-CG 4.03Å; I141-Y143 PolarHBondContact O-N 3.45Å; I141-V153 HydrophobicContact CD1-CB 3.93Å; I141-V153 HydrophobicContact CD1-CG1 4.4Å; I141-V153 HydrophobicContact CG1-CB 4.46Å; I141-V153 HydrophobicContact CG1-CG1 4.39Å; I141-V153 HydrophobicContact CG2-CB 4.39Å; I141-V153 HydrophobicContact CG2-CG1 3.98Å; I141-H155 HydrophobicContact CD1-CB 3.88Å
142	N	91	Very high	92.9	Very high	92 Å²	92	50.2 Å²	50.2	49%	0.492	27%	0.272	S	S	.	.			trans	-87.9	86	171.6	-176.9	5.6	0	0	0	110.1	G144 I145 F146	N142-G144 PolarHBondContact O-N 2.79Å; N142-G144 PolarHBondContact OD1-N 3.24Å; N142-I145 HydrophobicContact CB-CD1 4.17Å; N142-I145 HydrophobicContact CB-CG1 3.9Å; N142-I145 WeakPolarHBondContact O-CG1 3.34Å; N142-I145 PolarHBondContact O-N 2.84Å; N142-F146 PolarHBondContact O-N 3.43Å
143	Y	91.3	Very high	92.9	Very high	13 Å²	13	50.2 Å²	50.2	5%	0.051	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-58.9	-16.4	178.5	-59.2	-76.8	0	0	0	114.4	I141 I145 V153 H155 P157 F398	I141-Y143 HydrophobicContact CB-CD2 4.5Å; I141-Y143 HydrophobicContact CB-CE1 4.2Å; I141-Y143 HydrophobicContact CB-CE2 4.04Å; I141-Y143 HydrophobicContact CD1-CE1 4.44Å; I141-Y143 HydrophobicContact CG2-CD1 3.67Å; I141-Y143 HydrophobicContact CG2-CD2 4.22Å; I141-Y143 HydrophobicContact CG2-CE1 3.54Å; I141-Y143 HydrophobicContact CG2-CE2 4.09Å; I141-Y143 HydrophobicContact CG2-CG 4.03Å; I141-Y143 PolarHBondContact O-N 3.45Å; Y143-I145 VanDerWaalsContact C-N 3.31Å; Y143-V153 HydrophobicContact CE1-CG2 4.23Å; Y143-H155 WeakPolarHBondContact OH-CB 3.49Å; Y143-H155 PolarHBondContact OH-O 3.45Å; Y143-P157 HydrophobicContact CD1-CG 3.63Å; Y143-P157 HydrophobicContact CD2-CG 4.15Å; Y143-P157 HydrophobicContact CE1-CG 3.58Å; Y143-P157 HydrophobicContact CE2-CG 4.13Å; Y143-P157 HydrophobicContact CG-CG 3.9Å; Y143-F398 AromaticContact CD1-CE1 3.8Å; Y143-F398 HydrophobicContact CD1-CE1 3.8Å; Y143-F398 AromaticContact CD1-CZ 3.62Å; Y143-F398 HydrophobicContact CD1-CZ 3.62Å; Y143-F398 HydrophobicContact CE1-CE1 4.03Å; Y143-F398 HydrophobicContact CE1-CZ 4.06Å
144	G	88.7	Confident	92.9	Very high	71 Å²	71	49 Å²	49	73%	0.732	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-76.1	-12.3	175.4	0	0	0	0	0	114.9	N142	N142-G144 PolarHBondContact O-N 2.79Å; N142-G144 PolarHBondContact OD1-N 3.24Å
145	I	90.8	Very high	92.9	Very high	120 Å²	120	48.6 Å²	48.6	62%	0.615	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-121.3	10.3	173.7	66.5	174.6	0	0	0	112.4	N142 Y143 K147	N142-I145 HydrophobicContact CB-CD1 4.17Å; N142-I145 HydrophobicContact CB-CG1 3.9Å; N142-I145 WeakPolarHBondContact O-CG1 3.34Å; N142-I145 PolarHBondContact O-N 2.84Å; Y143-I145 VanDerWaalsContact C-N 3.31Å; I145-K147 PolarHBondContact O-N 2.99Å
146	F	93.1	Very high	92.9	Very high	17 Å²	17	48.7 Å²	48.7	8%	0.075	27%	0.267	C	S	.	.			trans	-70.1	122.9	-179.1	170.3	-95.1	0	0	0	110.7	N142 E148 Q151 V153 K395 F398	N142-F146 PolarHBondContact O-N 3.43Å; F146-E148 HydrophobicContact CD1-CB 4.47Å; F146-E148 HydrophobicContact CE1-CB 4.06Å; F146-E148 PolarHBondContact O-N 3.12Å; F146-Q151 HydrophobicContact CD2-CB 3.91Å; F146-Q151 HydrophobicContact CE2-CB 3.57Å; F146-Q151 VanDerWaalsContact CE2-O 3.31Å; F146-Q151 WeakPolarHBondContact CE2-O 3.17Å; F146-Q151 HydrophobicContact CZ-CB 4.29Å; F146-Q151 WeakPolarHBondContact CZ-O 3.3Å; F146-V153 HydrophobicContact CD2-CG1 3.89Å; F146-V153 HydrophobicContact CD2-CG2 4.1Å; F146-V153 HydrophobicContact CE2-CB 4.4Å; F146-V153 HydrophobicContact CE2-CG1 3.88Å; F146-V153 HydrophobicContact CE2-CG2 3.74Å; F146-V153 HydrophobicContact CZ-CG2 4.41Å; F146-K395 HydrophobicContact CD1-CD 3.82Å; F146-K395 HydrophobicContact CE1-CB 4.05Å; F146-K395 HydrophobicContact CE1-CD 3.94Å; F146-F398 HydrophobicContact CD1-CD1 4.44Å; F146-F398 AromaticContact CD1-CE1 3.57Å; F146-F398 HydrophobicContact CD1-CE1 3.57Å; F146-F398 HydrophobicContact CD1-CZ 4.16Å; F146-F398 HydrophobicContact CD2-CE1 4.11Å; F146-F398 AromaticContact CE1-CD1 3.89Å; F146-F398 HydrophobicContact CE1-CD1 3.89Å; F146-F398 AromaticContact CE1-CE1 3.44Å; F146-F398 HydrophobicContact CE1-CE1 3.44Å; F146-F398 VanDerWaalsContact CE1-CE1 3.44Å; F146-F398 HydrophobicContact CE1-CZ 4.27Å; F146-F398 HydrophobicContact CE2-CD1 4.2Å; F146-F398 HydrophobicContact CE2-CE1 4Å; F146-F398 AromaticContact CG-CE1 3.9Å; F146-F398 HydrophobicContact CG-CE1 3.9Å; F146-F398 AromaticContact CZ-CD1 3.75Å; F146-F398 HydrophobicContact CZ-CD1 3.75Å; F146-F398 AromaticContact CZ-CE1 3.67Å; F146-F398 HydrophobicContact CZ-CE1 3.67Å
147	K	94	Very high	92.8	Very high	70 Å²	70	46.1 Å²	46.1	30%	0.304	26%	0.255	S	S	.	.			trans	-87.1	96.4	179.5	-53.9	-176.7	-166.4	164.1	0	110.7	D129 I145 G149 E150 Q151	D129-K147 WeakPolarHBondContact OD1-CE 3.28Å; D129-K147 IonicContact OD1-NZ 3.8Å; D129-K147 PolarHBondContact OD1-NZ 3.38Å; D129-K147 IonicContact OD2-NZ 2.59Å; D129-K147 PolarHBondContact OD2-NZ 3.04Å; I145-K147 PolarHBondContact O-N 2.99Å; K147-G149 PolarHBondContact O-N 3.32Å; K147-E150 HydrophobicContact CB-CB 3.81Å; K147-E150 HydrophobicContact CB-CG 4.44Å; K147-E150 HydrophobicContact CD-CB 4.16Å; K147-E150 VanDerWaalsContact CD-CD 3.48Å; K147-E150 HydrophobicContact CD-CG 4.43Å; K147-E150 WeakPolarHBondContact CD-OE2 3.32Å; K147-E150 IonicContact NZ-OE2 2.7Å; K147-E150 PolarHBondContact NZ-OE2 3Å; K147-E150 PolarHBondContact O-N 2.94Å; K147-E150 VanDerWaalsContact O-N 3.12Å; K147-Q151 HydrophobicContact CB-CG 4.02Å; K147-Q151 WeakPolarHBondContact O-CB 3.48Å; K147-Q151 PolarHBondContact O-N 3.38Å
148	E	93.4	Very high	92.7	Very high	84 Å²	84	42.8 Å²	42.8	39%	0.393	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	131.5	177.4	-177.3	162.1	-158.5	0	0	111.7	F146 E150 K395 V396	F146-E148 HydrophobicContact CD1-CB 4.47Å; F146-E148 HydrophobicContact CE1-CB 4.06Å; F146-E148 PolarHBondContact O-N 3.12Å; E148-E150 PolarHBondContact O-N 3.17Å; E148-K395 HydrophobicContact CB-CD 4.33Å; E148-K395 HydrophobicContact CG-CB 4.18Å; E148-K395 WeakPolarHBondContact OE1-CA 3.27Å; E148-K395 WeakPolarHBondContact OE1-CB 3.43Å; E148-K395 WeakPolarHBondContact OE2-CG 3.39Å; E148-K395 IonicContact OE2-NZ 2.76Å; E148-K395 PolarHBondContact OE2-NZ 2.91Å; E148-V396 HydrophobicContact CG-CB 3.83Å; E148-V396 HydrophobicContact CG-CG2 4.36Å; E148-V396 PolarHBondContact OE1-N 3.18Å
149	G	92.3	Very high	92.8	Very high	23 Å²	23	41.4 Å²	41.4	24%	0.237	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-14.8	-175.8	0	0	0	0	0	115.9	K147 V396 F451 R455	K147-G149 PolarHBondContact O-N 3.32Å; G149-V396 PolarHBondContact N-O 3.31Å; G149-F451 WeakPolarHBondContact O-CZ 3.48Å; G149-R455 VanDerWaalsContact O-CD 3.24Å; G149-R455 WeakPolarHBondContact O-CD 3.49Å
150	E	94.3	Very high	92.8	Very high	113 Å²	113	35.6 Å²	35.6	53%	0.528	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-28.1	170	-75.6	-178.1	-132	0	0	113	K147 E148	K147-E150 HydrophobicContact CB-CB 3.81Å; K147-E150 HydrophobicContact CB-CG 4.44Å; K147-E150 HydrophobicContact CD-CB 4.16Å; K147-E150 VanDerWaalsContact CD-CD 3.48Å; K147-E150 HydrophobicContact CD-CG 4.43Å; K147-E150 WeakPolarHBondContact CD-OE2 3.32Å; K147-E150 IonicContact NZ-OE2 2.7Å; K147-E150 PolarHBondContact NZ-OE2 3Å; K147-E150 PolarHBondContact O-N 2.94Å; K147-E150 VanDerWaalsContact O-N 3.12Å; E148-E150 PolarHBondContact O-N 3.17Å
151	Q	96.2	Very high	92.9	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.028	19%	0.185	C	C	.	.			trans	-122.6	147.6	-168.9	-72.4	179.3	-7.5	0	0	113	D129 Y130 T131 F146 K147 G397 F451	D129-Q151 PolarHBondContact OD1-NE2 2.84Å; Y130-Q151 HydrophobicContact CD2-CB 4.42Å; Y130-Q151 HydrophobicContact CD2-CG 4.02Å; Y130-Q151 HydrophobicContact CE2-CB 3.88Å; Y130-Q151 VanDerWaalsContact CE2-CD 3.46Å; Y130-Q151 HydrophobicContact CE2-CG 3.7Å; Y130-Q151 WeakPolarHBondContact O-CG 3.3Å; Y130-Q151 PolarHBondContact OH-OE1 3.03Å; Y130-Q151 VanDerWaalsContact OH-OE1 3.08Å; T131-Q151 CarbonylContact O-C 3.52Å; T131-Q151 WeakPolarHBondContact O-CA 3.36Å; F146-Q151 HydrophobicContact CD2-CB 3.91Å; F146-Q151 HydrophobicContact CE2-CB 3.57Å; F146-Q151 VanDerWaalsContact CE2-O 3.31Å; F146-Q151 WeakPolarHBondContact CE2-O 3.17Å; F146-Q151 HydrophobicContact CZ-CB 4.29Å; F146-Q151 WeakPolarHBondContact CZ-O 3.3Å; K147-Q151 HydrophobicContact CB-CG 4.02Å; K147-Q151 WeakPolarHBondContact O-CB 3.48Å; K147-Q151 PolarHBondContact O-N 3.38Å; Q151-G397 WeakPolarHBondContact O-CA 3.28Å; Q151-F451 WeakPolarHBondContact O-CE2 3.44Å
152	L	96.9	Very high	93	Very high	3 Å²	3	32 Å²	32	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.9	176.3	-173.4	61.5	0	0	0	110.2	T131 L132 R133 G397 F399 I448 F451	T131-L152 PolarHBondContact O-N 3.01Å; L132-L152 CarbonylContact C-O 3.53Å; L132-L152 WeakPolarHBondContact CA-O 3.37Å; L132-L152 HydrophobicContact CD1-CD2 4.06Å; R133-L152 PolarHBondContact N-O 3Å; L152-G397 CarbonylContact C-O 3.57Å; L152-G397 WeakPolarHBondContact CA-O 3.36Å; L152-F399 HydrophobicContact CD1-CD1 3.53Å; L152-F399 HydrophobicContact CD1-CE1 4.06Å; L152-F399 HydrophobicContact CD1-CG 4.44Å; L152-F399 HydrophobicContact CD2-CD1 4.45Å; L152-F399 HydrophobicContact CD2-CE1 4.28Å; L152-F399 HydrophobicContact CG-CD1 3.78Å; L152-F399 HydrophobicContact CG-CE1 3.76Å; L152-I448 HydrophobicContact CD2-CG1 3.88Å; L152-F451 HydrophobicContact CD1-CB 4.02Å; L152-F451 HydrophobicContact CD1-CD2 4.24Å; L152-F451 HydrophobicContact CD1-CG 4.2Å; L152-F451 HydrophobicContact CD2-CB 4.37Å
153	V	97.2	Very high	93.1	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.8	-178.7	-67.7	0	0	0	0	112.3	Y130 R133 I141 Y143 F146 H155 G397 F398 F399	Y130-V153 HydrophobicContact CE2-CG1 4.3Å; R133-V153 HydrophobicContact CB-CG1 4.2Å; I141-V153 HydrophobicContact CD1-CB 3.93Å; I141-V153 HydrophobicContact CD1-CG1 4.4Å; I141-V153 HydrophobicContact CG1-CB 4.46Å; I141-V153 HydrophobicContact CG1-CG1 4.39Å; I141-V153 HydrophobicContact CG2-CB 4.39Å; I141-V153 HydrophobicContact CG2-CG1 3.98Å; Y143-V153 HydrophobicContact CE1-CG2 4.23Å; F146-V153 HydrophobicContact CD2-CG1 3.89Å; F146-V153 HydrophobicContact CD2-CG2 4.1Å; F146-V153 HydrophobicContact CE2-CB 4.4Å; F146-V153 HydrophobicContact CE2-CG1 3.88Å; F146-V153 HydrophobicContact CE2-CG2 3.74Å; F146-V153 HydrophobicContact CZ-CG2 4.41Å; V153-H155 VanDerWaalsContact C-N 3.31Å; V153-H155 PolarHBondContact O-N 2.91Å; V153-G397 PolarHBondContact N-O 2.84Å; V153-F398 HydrophobicContact CG2-CD1 3.42Å; V153-F398 VanDerWaalsContact CG2-CD1 3.42Å; V153-F398 HydrophobicContact CG2-CE1 3.75Å; V153-F398 HydrophobicContact CG2-CG 4.46Å; V153-F399 VanDerWaalsContact C-CE1 3.5Å; V153-F399 WeakPolarHBondContact O-CD1 3.31Å; V153-F399 PolarHBondContact O-N 2.82Å; V153-F399 VanDerWaalsContact O-N 3.15Å
154	N	97	Very high	93.2	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.037	17%	0.171	C	C	.	.	S	Bend	trans	-85	12.9	-169	78.6	-60.4	0	0	0	116.1	R133 W134 T135 F399	R133-N154 PolarHBondContact O-OD1 3.38Å; W134-N154 WeakPolarHBondContact CA-OD1 3.28Å; W134-N154 HydrophobicContact CD2-CB 3.98Å; W134-N154 HydrophobicContact CE3-CB 3.84Å; W134-N154 HydrophobicContact CG-CB 4.46Å; W134-N154 HydrophobicContact CZ3-CB 4.22Å; T135-N154 PolarHBondContact N-OD1 2.85Å; T135-N154 PolarHBondContact O-ND2 3.35Å; T135-N154 PolarHBondContact O-OD1 3.45Å; T135-N154 PolarHBondContact OG1-OD1 2.9Å; N154-F399 CarbonylContact C-O 3.56Å; N154-F399 VanDerWaalsContact CA-CE1 3.45Å; N154-F399 WeakPolarHBondContact CA-O 3.44Å; N154-F399 HydrophobicContact CB-CE1 3.78Å; N154-F399 HydrophobicContact CB-CE2 4.01Å; N154-F399 HydrophobicContact CB-CZ 3.46Å; N154-F399 VanDerWaalsContact CB-CZ 3.46Å
155	H	96.2	Very high	93.4	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.019	14%	0.14	C	C	.	.			trans	-141.1	141	176.4	-66.6	-63.4	0	0	0	112.2	T135 N137 S138 I141 Y143 V153 F399 E400	T135-H155 PolarHBondContact O-NE2 2.66Å; T135-H155 PolarHBondContact OG1-CD2 3.22Å; N137-H155 PolarHBondContact N-NE2 2.82Å; S138-H155 PolarHBondContact N-CD2 3.05Å; S138-H155 VanDerWaalsContact N-CD2 3.35Å; I141-H155 HydrophobicContact CD1-CB 3.88Å; Y143-H155 WeakPolarHBondContact OH-CB 3.49Å; Y143-H155 PolarHBondContact OH-O 3.45Å; V153-H155 VanDerWaalsContact C-N 3.31Å; V153-H155 PolarHBondContact O-N 2.91Å; H155-F399 PolarHBondContact N-O 2.87Å; H155-F399 VanDerWaalsContact N-O 3.12Å; H155-E400 IonicContact CE1-OE1 2.65Å; H155-E400 IonicContact CG-OE1 2.6Å; H155-E400 IonicContact ND1-OE1 2.65Å; H155-E400 PolarHBondContact ND1-OE1 3.27Å
156	I	94.9	Very high	93.6	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.01	11%	0.111	C	C	.	.			trans	-94.7	130.8	178.3	-69	165.4	0	0	0	110.2	C159 I291 T294 L392 A393 F398 E400	I156-C159 HydrophobicContact CB-CB 4.24Å; I156-C159 WeakPolarHBondContact O-CB 3.3Å; I156-C159 PolarHBondContact O-N 3.02Å; I156-I291 HydrophobicContact CD1-CB 3.89Å; I156-I291 HydrophobicContact CD1-CD1 3.85Å; I156-I291 HydrophobicContact CD1-CG1 4.48Å; I156-I291 HydrophobicContact CD1-CG2 3.63Å; I156-T294 HydrophobicContact CD1-CG2 3.64Å; I156-T294 HydrophobicContact CG1-CG2 4.02Å; I156-L392 HydrophobicContact CG2-CB 4.07Å; I156-A393 VanDerWaalsContact CG2-O 3.29Å; I156-A393 WeakPolarHBondContact CG2-O 3.39Å; I156-F398 HydrophobicContact CG1-CB 4.19Å; I156-E400 HydrophobicContact CD1-CB 3.77Å; I156-E400 HydrophobicContact CG1-CB 4Å; I156-E400 PolarHBondContact N-OE2 2.97Å
157	P	90.6	Very high	93.6	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	146.4	173.3	-16.3	25.6	0	0	0	111.9	Y143 C159 A393 F398	Y143-P157 HydrophobicContact CD1-CG 3.63Å; Y143-P157 HydrophobicContact CD2-CG 4.15Å; Y143-P157 HydrophobicContact CE1-CG 3.58Å; Y143-P157 HydrophobicContact CE2-CG 4.13Å; Y143-P157 HydrophobicContact CG-CG 3.9Å; P157-C159 PolarHBondContact O-N 3.45Å; P157-A393 HydrophobicContact CB-CB 3.69Å; P157-A393 HydrophobicContact CG-CB 3.81Å; P157-A393 PolarHBondContact O-N 3.32Å; P157-F398 HydrophobicContact CG-CD2 4.29Å; P157-F398 HydrophobicContact CG-CE2 3.57Å; P157-F398 HydrophobicContact CG-CZ 3.92Å
158	N	88.5	Confident	93.6	Very high	17 Å²	17	17.1 Å²	17.1	9%	0.091	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	9.4	-173.2	-152.3	23.3	0	0	0	116.2	G160 L161 R391 R529	N158-G160 PolarHBondContact O-N 3.32Å; N158-L161 VanDerWaalsContact ND2-CD1 3.3Å; N158-L161 WeakPolarHBondContact ND2-CD1 3.31Å; N158-L161 WeakPolarHBondContact O-CG 3.44Å; N158-L161 PolarHBondContact O-N 2.95Å; N158-R391 PolarHBondContact ND2-O 3.21Å; N158-R529 PolarHBondContact N-O 3.21Å; N158-R529 VanDerWaalsContact N-O 3.12Å
159	C	91.2	Very high	93.8	Very high	6 Å²	6	13.1 Å²	13.1	4%	0.041	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.4	176.3	-171	0	0	0	0	114.6	I156 P157 L161 L162 T163 L392 E400	I156-C159 HydrophobicContact CB-CB 4.24Å; I156-C159 WeakPolarHBondContact O-CB 3.3Å; I156-C159 PolarHBondContact O-N 3.02Å; P157-C159 PolarHBondContact O-N 3.45Å; C159-L161 PolarHBondContact O-N 3.06Å; C159-L161 VanDerWaalsContact O-N 3.08Å; C159-L162 PolarHBondContact O-N 3.29Å; C159-T163 PolarHBondContact O-N 2.86Å; C159-T163 PolarHBondContact O-OG1 3Å; C159-L392 HydrophobicContact CB-CD2 4.46Å; C159-E400 WeakPolarHBondContact CB-OE2 3.06Å; C159-E400 PolarHBondContact SG-OE2 3.48Å
160	G	90.2	Very high	93.8	Very high	13 Å²	13	12.9 Å²	12.9	13%	0.134	7%	0.069	C	C	.	.	H	α-helix	trans	-56.9	-18.1	168.5	0	0	0	0	0	114.5	N158 L162 T163 N164	N158-G160 PolarHBondContact O-N 3.32Å; G160-L162 PolarHBondContact O-N 3.03Å; G160-T163 WeakPolarHBondContact CA-OG1 3.44Å; G160-T163 PolarHBondContact N-OG1 3.01Å; G160-N164 VanDerWaalsContact O-CB 3.23Å; G160-N164 WeakPolarHBondContact O-CB 3.48Å; G160-N164 PolarHBondContact O-N 3.24Å
161	L	91.9	Very high	93.8	Very high	5 Å²	5	7.5 Å²	7.5	3%	0.026	4%	0.043	C	C	.	.	H	α-helix	trans	-62.3	-20.6	169.3	-68.1	-178	0	0	0	114.3	N158 C159 G167 L168 S171 V388 R391	N158-L161 VanDerWaalsContact ND2-CD1 3.3Å; N158-L161 WeakPolarHBondContact ND2-CD1 3.31Å; N158-L161 WeakPolarHBondContact O-CG 3.44Å; N158-L161 PolarHBondContact O-N 2.95Å; C159-L161 PolarHBondContact O-N 3.06Å; C159-L161 VanDerWaalsContact O-N 3.08Å; L161-G167 CarbonylContact O-C 3.54Å; L161-G167 VanDerWaalsContact O-O 3.07Å; L161-L168 WeakPolarHBondContact O-CA 3.24Å; L161-L168 PolarHBondContact O-N 3.06Å; L161-S171 PolarHBondContact O-OG 2.96Å; L161-V388 HydrophobicContact CB-CG1 4.02Å; L161-R391 HydrophobicContact CD1-CB 3.55Å; L161-R391 VanDerWaalsContact CD2-NH2 3.33Å
162	L	93	Very high	93.8	Very high	6 Å²	6	7.3 Å²	7.3	3%	0.031	4%	0.042	C	C	.	.	H	α-helix	trans	-106.6	-45.1	168.5	-67.1	179.5	0	0	0	111.5	C159 G160 L168 V384 V388 L402 V419	C159-L162 PolarHBondContact O-N 3.29Å; G160-L162 PolarHBondContact O-N 3.03Å; L162-L168 HydrophobicContact CD2-CD1 4.2Å; L162-V384 HydrophobicContact CD2-CG1 3.53Å; L162-V388 HydrophobicContact CD1-CG2 3.75Å; L162-V388 HydrophobicContact CD2-CB 4.34Å; L162-V388 HydrophobicContact CD2-CG1 3.74Å; L162-V388 HydrophobicContact CD2-CG2 3.66Å; L162-V388 HydrophobicContact CG-CB 4.47Å; L162-V388 HydrophobicContact CG-CG1 4.17Å; L162-V388 HydrophobicContact CG-CG2 3.66Å; L162-L402 HydrophobicContact CD1-CD1 4.31Å; L162-V419 HydrophobicContact CB-CB 4.5Å; L162-V419 HydrophobicContact CB-CG1 4.27Å
163	T	93.8	Very high	93.8	Very high	27 Å²	27	8.3 Å²	8.3	17%	0.166	5%	0.046	C	C	.	.	H	α-helix	trans	-88.2	-6.8	-163.6	54.4	0	0	0	0	114.3	C159 G160 L402 V419	C159-T163 PolarHBondContact O-N 2.86Å; C159-T163 PolarHBondContact O-OG1 3Å; G160-T163 WeakPolarHBondContact CA-OG1 3.44Å; G160-T163 PolarHBondContact N-OG1 3.01Å; T163-L402 HydrophobicContact CG2-CD2 3.48Å; T163-L402 VanDerWaalsContact CG2-CD2 3.48Å; T163-V419 WeakPolarHBondContact CA-O 3.34Å; T163-V419 HydrophobicContact CG2-CG1 4.07Å
164	N	92.4	Very high	93.6	Very high	19 Å²	19	8.5 Å²	8.5	10%	0.102	5%	0.047	C	C	.	.	S	Bend	trans	-98.9	136.2	165.1	-167.9	-83.4	0	0	0	110.6	G160 L166 G167 L168 I228 W531	G160-N164 VanDerWaalsContact O-CB 3.23Å; G160-N164 WeakPolarHBondContact O-CB 3.48Å; G160-N164 PolarHBondContact O-N 3.24Å; N164-L166 PolarHBondContact O-N 3.37Å; N164-L166 WeakPolarHBondContact OD1-CB 3.17Å; N164-L166 PolarHBondContact OD1-N 2.95Å; N164-G167 WeakPolarHBondContact O-CA 3.39Å; N164-G167 PolarHBondContact O-N 3.24Å; N164-L168 PolarHBondContact O-N 3.03Å; N164-I228 PolarHBondContact ND2-O 2.81Å; N164-I228 PolarHBondContact OD1-O 3.01Å; N164-W531 HydrophobicContact CB-CE3 3.9Å; N164-W531 HydrophobicContact CB-CH2 3.77Å; N164-W531 HydrophobicContact CB-CZ3 3.42Å; N164-W531 VanDerWaalsContact CB-CZ3 3.42Å; N164-W531 VanDerWaalsContact CG-CH2 3.41Å; N164-W531 WeakPolarHBondContact ND2-CZ3 3.17Å; N164-W531 VanDerWaalsContact OD1-CH2 3.31Å; N164-W531 WeakPolarHBondContact OD1-CH2 3.4Å
165	K	94.1	Very high	93.4	Very high	20 Å²	20	10.3 Å²	10.3	9%	0.087	5%	0.054	C	C	.	.	H	α-helix	trans	-57.1	-36.5	-179.1	-65.4	167.2	171.7	64.1	0	112.9	L169 K226 Q230 I267 E418	K165-L169 PolarHBondContact O-N 3.37Å; K165-K226 HydrophobicContact CD-CB 4.12Å; K165-Q230 PolarHBondContact NZ-O 2.71Å; K165-I267 HydrophobicContact CB-CD1 3.93Å; K165-E418 WeakPolarHBondContact CE-OE2 3.16Å; K165-E418 IonicContact NZ-OE2 2.72Å; K165-E418 PolarHBondContact NZ-OE2 2.76Å
166	L	93.7	Very high	93.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-77.4	-39.5	174.2	-176.7	62.4	0	0	0	112.1	N164 L168 L169 I170 I200 I228 P265 W531 P534	N164-L166 PolarHBondContact O-N 3.37Å; N164-L166 WeakPolarHBondContact OD1-CB 3.17Å; N164-L166 PolarHBondContact OD1-N 2.95Å; L166-L168 VanDerWaalsContact C-N 3.32Å; L166-L168 PolarHBondContact O-N 3.12Å; L166-L169 PolarHBondContact O-N 3.35Å; L166-I170 HydrophobicContact CD1-CD1 3.74Å; L166-I170 HydrophobicContact CD1-CG1 4.06Å; L166-I170 HydrophobicContact CD2-CD1 4.39Å; L166-I170 HydrophobicContact CG-CD1 3.75Å; L166-I170 HydrophobicContact CG-CG1 4.38Å; L166-I170 WeakPolarHBondContact O-CB 3.46Å; L166-I170 WeakPolarHBondContact O-CG1 3.48Å; L166-I170 PolarHBondContact O-N 3.26Å; L166-I200 HydrophobicContact CD1-CD1 3.51Å; L166-I200 HydrophobicContact CD1-CG1 3.71Å; L166-I200 HydrophobicContact CD1-CG2 4.48Å; L166-I228 HydrophobicContact CB-CB 3.98Å; L166-I228 HydrophobicContact CB-CD1 3.84Å; L166-I228 HydrophobicContact CB-CG2 3.74Å; L166-I228 HydrophobicContact CD2-CD1 3.6Å; L166-I228 HydrophobicContact CG-CD1 4.38Å; L166-P265 HydrophobicContact CD2-CG 4.49Å; L166-W531 HydrophobicContact CB-CH2 4.36Å; L166-P534 HydrophobicContact CD2-CG 3.69Å
167	G	93.2	Very high	93.4	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-58.4	-44.1	176.7	0	0	0	0	0	112.2	L161 N164 S171	L161-G167 CarbonylContact O-C 3.54Å; L161-G167 VanDerWaalsContact O-O 3.07Å; N164-G167 WeakPolarHBondContact O-CA 3.39Å; N164-G167 PolarHBondContact O-N 3.24Å; G167-S171 WeakPolarHBondContact O-CB 3.49Å; G167-S171 PolarHBondContact O-N 2.91Å; G167-S171 PolarHBondContact O-OG 3.04Å
168	L	95.6	Very high	93.5	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.016	8%	0.08	C	C	.	.	H	α-helix	trans	-61.8	-55.2	175.5	-176.9	61.2	0	0	0	111.4	L161 L162 N164 L166 I170 S171 L172 F195 V384 L416 V419	L161-L168 WeakPolarHBondContact O-CA 3.24Å; L161-L168 PolarHBondContact O-N 3.06Å; L162-L168 HydrophobicContact CD2-CD1 4.2Å; N164-L168 PolarHBondContact O-N 3.03Å; L166-L168 VanDerWaalsContact C-N 3.32Å; L166-L168 PolarHBondContact O-N 3.12Å; L168-I170 VanDerWaalsContact C-N 3.34Å; L168-I170 PolarHBondContact O-N 2.71Å; L168-S171 PolarHBondContact O-N 3.47Å; L168-S171 VanDerWaalsContact O-N 3.08Å; L168-L172 HydrophobicContact CD1-CD1 4.25Å; L168-L172 HydrophobicContact CD1-CG 4.33Å; L168-L172 HydrophobicContact CG-CD1 4.32Å; L168-L172 WeakPolarHBondContact O-CG 3.31Å; L168-L172 PolarHBondContact O-N 3.01Å; L168-F195 HydrophobicContact CD2-CE2 3.78Å; L168-F195 HydrophobicContact CD2-CZ 4.33Å; L168-F195 HydrophobicContact CG-CE2 4.45Å; L168-V384 HydrophobicContact CD1-CG1 3.98Å; L168-L416 HydrophobicContact CD2-CD2 4.27Å; L168-V419 HydrophobicContact CD1-CG2 4.48Å; L168-V419 HydrophobicContact CD2-CG2 4.26Å
169	L	95.9	Very high	93.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-53.7	-48.1	179.5	178.2	64	0	0	0	112.4	K165 L166 R173 M191 F195 T198 I200 I267	K165-L169 PolarHBondContact O-N 3.37Å; L166-L169 PolarHBondContact O-N 3.35Å; L169-R173 WeakPolarHBondContact O-CG 3.23Å; L169-R173 PolarHBondContact O-N 3.31Å; L169-R173 VanDerWaalsContact O-N 3.16Å; L169-M191 HydrophobicContact CD1-SD 4.06Å; L169-F195 HydrophobicContact CD1-CE1 4.11Å; L169-T198 HydrophobicContact CD1-CG2 4.1Å; L169-T198 HydrophobicContact CD2-CG2 3.74Å; L169-T198 HydrophobicContact CG-CG2 4.5Å; L169-I200 HydrophobicContact CD2-CD1 4.48Å; L169-I200 HydrophobicContact CD2-CG1 3.87Å; L169-I267 HydrophobicContact CD2-CG2 4.07Å
170	I	93.7	Very high	93.8	Very high	18 Å²	18	22.1 Å²	22.1	9%	0.092	10%	0.1	C	C	.	.	H	α-helix	trans	-68.2	-37.4	179.1	-66.4	176	0	0	0	111	L166 L168 D174 F620 L624	L166-I170 HydrophobicContact CD1-CD1 3.74Å; L166-I170 HydrophobicContact CD1-CG1 4.06Å; L166-I170 HydrophobicContact CD2-CD1 4.39Å; L166-I170 HydrophobicContact CG-CD1 3.75Å; L166-I170 HydrophobicContact CG-CG1 4.38Å; L166-I170 WeakPolarHBondContact O-CB 3.46Å; L166-I170 WeakPolarHBondContact O-CG1 3.48Å; L166-I170 PolarHBondContact O-N 3.26Å; L168-I170 VanDerWaalsContact C-N 3.34Å; L168-I170 PolarHBondContact O-N 2.71Å; I170-D174 WeakPolarHBondContact O-CB 3.09Å; I170-D174 PolarHBondContact O-N 3.18Å; I170-F620 HydrophobicContact CD1-CE1 4.04Å; I170-L624 HydrophobicContact CD1-CD1 3.78Å; I170-L624 HydrophobicContact CG2-CD1 4.5Å
171	S	94.5	Very high	94	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-70.2	-35.5	-178.8	-61.6	0	0	0	0	113.2	L161 G167 L168 Y175 R391	L161-S171 PolarHBondContact O-OG 2.96Å; G167-S171 WeakPolarHBondContact O-CB 3.49Å; G167-S171 PolarHBondContact O-N 2.91Å; G167-S171 PolarHBondContact O-OG 3.04Å; L168-S171 PolarHBondContact O-N 3.47Å; L168-S171 VanDerWaalsContact O-N 3.08Å; S171-Y175 VanDerWaalsContact O-CB 3.31Å; S171-Y175 WeakPolarHBondContact O-CB 3.47Å; S171-Y175 PolarHBondContact O-N 3.42Å; S171-R391 PolarHBondContact OG-NH1 2.83Å
172	L	96.3	Very high	94.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-67	-53.6	172.5	-65	179.4	0	0	0	110.8	L168 D174 Y175 E176 M191 F194 F195 V384 T387	L168-L172 HydrophobicContact CD1-CD1 4.25Å; L168-L172 HydrophobicContact CD1-CG 4.33Å; L168-L172 HydrophobicContact CG-CD1 4.32Å; L168-L172 WeakPolarHBondContact O-CG 3.31Å; L168-L172 PolarHBondContact O-N 3.01Å; L172-D174 PolarHBondContact O-N 3Å; L172-Y175 WeakPolarHBondContact O-CB 3.41Å; L172-Y175 PolarHBondContact O-N 2.97Å; L172-E176 PolarHBondContact O-N 2.79Å; L172-M191 HydrophobicContact CB-CG 4.21Å; L172-M191 HydrophobicContact CB-SD 3.85Å; L172-M191 HydrophobicContact CD1-CG 4.01Å; L172-M191 HydrophobicContact CD1-SD 4.25Å; L172-F194 HydrophobicContact CD1-CE2 3.9Å; L172-F194 HydrophobicContact CD1-CZ 4.15Å; L172-F194 HydrophobicContact CD2-CE2 4.38Å; L172-F194 HydrophobicContact CD2-CZ 4.05Å; L172-F195 HydrophobicContact CD1-CB 4.44Å; L172-F195 HydrophobicContact CD1-CG 4.3Å; L172-V384 HydrophobicContact CD2-CG2 4.3Å; L172-T387 HydrophobicContact CD2-CG2 3.81Å
173	R	95	Very high	94.2	Very high	24 Å²	24	40.5 Å²	40.5	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-57.5	-42.4	177.8	-70.3	172.4	174.8	178	-3.9	113	L169 R177 M191 T198 E206 Y617	L169-R173 WeakPolarHBondContact O-CG 3.23Å; L169-R173 PolarHBondContact O-N 3.31Å; L169-R173 VanDerWaalsContact O-N 3.16Å; R173-R177 WeakPolarHBondContact O-CB 3.27Å; R173-R177 PolarHBondContact O-N 2.63Å; R173-R177 VanDerWaalsContact O-N 3.09Å; R173-M191 HydrophobicContact CG-CE 3.84Å; R173-M191 HydrophobicContact CG-SD 4.11Å; R173-T198 PolarHBondContact NH2-O 2.77Å; R173-E206 IonicContact CZ-OE1 2.76Å; R173-E206 IonicContact CZ-OE2 3.45Å; R173-E206 IonicContact NH1-OE1 3.61Å; R173-E206 PolarHBondContact NH1-OE1 3.23Å; R173-E206 IonicContact NH1-OE2 2.77Å; R173-E206 PolarHBondContact NH1-OE2 3.04Å; R173-E206 IonicContact NH2-OE1 2.69Å; R173-E206 IonicContact NH2-OE2 3.85Å; R173-E206 PolarHBondContact NH2-OE2 3.43Å; R173-Y617 PolarHBondContact NH1-OH 3.48Å
174	D	93.4	Very high	94.3	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.027	20%	0.204	C	C	.	.	H	α-helix	trans	-68.5	-33.4	176.1	170.7	67.4	0	0	0	112.3	I170 L172 R177 R178 R625	I170-D174 WeakPolarHBondContact O-CB 3.09Å; I170-D174 PolarHBondContact O-N 3.18Å; L172-D174 PolarHBondContact O-N 3Å; D174-R177 IonicContact OD1-CZ 3.88Å; D174-R177 IonicContact OD1-NH2 2.89Å; D174-R177 PolarHBondContact OD1-NH2 3.04Å; D174-R178 VanDerWaalsContact CG-NE 3.34Å; D174-R178 VanDerWaalsContact O-CB 3.23Å; D174-R178 WeakPolarHBondContact O-CB 3.47Å; D174-R178 VanDerWaalsContact O-CG 3.29Å; D174-R178 WeakPolarHBondContact O-CG 3.47Å; D174-R178 PolarHBondContact O-N 3.42Å; D174-R178 PolarHBondContact O-NE 2.53Å; D174-R178 IonicContact OD1-NE 3.72Å; D174-R178 PolarHBondContact OD1-NE 2.69Å; D174-R178 IonicContact OD2-CZ 2.8Å; D174-R178 IonicContact OD2-NE 3.67Å; D174-R178 PolarHBondContact OD2-NE 2.81Å; D174-R178 IonicContact OD2-NH2 3.91Å; D174-R178 PolarHBondContact OD2-NH2 3.04Å; D174-R625 IonicContact OD1-NH2 2.76Å; D174-R625 PolarHBondContact OD1-NH2 3.17Å
175	Y	94.2	Very high	94.4	Very high	45 Å²	45	48.1 Å²	48.1	18%	0.176	22%	0.223	C	C	.	.	H	α-helix	trans	-65.9	-50.8	173.6	174.3	-94.5	0	0	0	111.8	S171 L172 R177 R178 Y179 P187 H383 T387	S171-Y175 VanDerWaalsContact O-CB 3.31Å; S171-Y175 WeakPolarHBondContact O-CB 3.47Å; S171-Y175 PolarHBondContact O-N 3.42Å; L172-Y175 WeakPolarHBondContact O-CB 3.41Å; L172-Y175 PolarHBondContact O-N 2.97Å; Y175-R177 PolarHBondContact O-N 3Å; Y175-R178 PolarHBondContact O-N 2.84Å; Y175-Y179 HydrophobicContact CE1-CD2 4.47Å; Y175-Y179 WeakPolarHBondContact O-CB 3.02Å; Y175-Y179 PolarHBondContact O-N 3.11Å; Y175-P187 HydrophobicContact CE1-CB 4.06Å; Y175-P187 HydrophobicContact CE1-CG 4.19Å; Y175-H383 AromaticContact CE1-CE1 3.71Å; Y175-T387 HydrophobicContact CD1-CG2 3.66Å; Y175-T387 HydrophobicContact CD2-CG2 3.95Å; Y175-T387 HydrophobicContact CE1-CG2 4.24Å; Y175-T387 HydrophobicContact CE2-CG2 4.48Å; Y175-T387 HydrophobicContact CG-CG2 3.5Å
176	E	94.8	Very high	94.3	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.056	24%	0.237	C	C	.	.	H	α-helix	trans	-56.2	-50	177.9	-67.5	-179.7	124.6	0	0	111.4	L172 R178 Y179 Q180 P187 V190 M191	L172-E176 PolarHBondContact O-N 2.79Å; E176-R178 PolarHBondContact O-N 3.08Å; E176-Y179 WeakPolarHBondContact O-CB 3.46Å; E176-Y179 PolarHBondContact O-N 2.88Å; E176-Q180 WeakPolarHBondContact O-CB 3.33Å; E176-Q180 PolarHBondContact O-N 3.35Å; E176-P187 HydrophobicContact CG-CG 4.28Å; E176-V190 WeakPolarHBondContact OE1-CA 3.3Å; E176-V190 WeakPolarHBondContact OE1-CB 3.48Å; E176-M191 WeakPolarHBondContact OE1-CB 3.41Å; E176-M191 PolarHBondContact OE1-N 3.4Å
177	R	94.5	Very high	94.2	Very high	48 Å²	48	51.1 Å²	51.1	18%	0.181	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-41	177.5	-176.2	-169.2	61.7	-158.4	-8.1	112.4	R173 D174 Y175 Y179 N181 E621	R173-R177 WeakPolarHBondContact O-CB 3.27Å; R173-R177 PolarHBondContact O-N 2.63Å; R173-R177 VanDerWaalsContact O-N 3.09Å; D174-R177 IonicContact OD1-CZ 3.88Å; D174-R177 IonicContact OD1-NH2 2.89Å; D174-R177 PolarHBondContact OD1-NH2 3.04Å; Y175-R177 PolarHBondContact O-N 3Å; R177-Y179 VanDerWaalsContact C-N 3.31Å; R177-N181 VanDerWaalsContact O-CB 3.26Å; R177-N181 WeakPolarHBondContact O-CB 3.44Å; R177-N181 PolarHBondContact O-N 3.22Å; R177-N181 PolarHBondContact O-OD1 2.72Å; R177-E621 IonicContact CZ-OE1 3.53Å; R177-E621 IonicContact CZ-OE2 2.75Å; R177-E621 IonicContact NH1-OE1 3.46Å; R177-E621 PolarHBondContact NH1-OE1 3.33Å; R177-E621 IonicContact NH1-OE2 3.05Å; R177-E621 IonicContact NH2-OE1 2.73Å; R177-E621 PolarHBondContact NH2-OE1 2.92Å; R177-E621 IonicContact NH2-OE2 3.54Å; R177-E621 PolarHBondContact NH2-OE2 3.15Å
178	R	92.7	Very high	94.1	Very high	95 Å²	95	57.2 Å²	57.2	36%	0.358	27%	0.272	S	S	.	.	H	α-helix	trans	-65.8	-34.8	175.2	-83.8	-171.7	-75	108.2	-1.6	112.3	D174 Y175 E176 R182	D174-R178 VanDerWaalsContact CG-NE 3.34Å; D174-R178 VanDerWaalsContact O-CB 3.23Å; D174-R178 WeakPolarHBondContact O-CB 3.47Å; D174-R178 VanDerWaalsContact O-CG 3.29Å; D174-R178 WeakPolarHBondContact O-CG 3.47Å; D174-R178 PolarHBondContact O-N 3.42Å; D174-R178 PolarHBondContact O-NE 2.53Å; D174-R178 IonicContact OD1-NE 3.72Å; D174-R178 PolarHBondContact OD1-NE 2.69Å; D174-R178 IonicContact OD2-CZ 2.8Å; D174-R178 IonicContact OD2-NE 3.67Å; D174-R178 PolarHBondContact OD2-NE 2.81Å; D174-R178 IonicContact OD2-NH2 3.91Å; D174-R178 PolarHBondContact OD2-NH2 3.04Å; Y175-R178 PolarHBondContact O-N 2.84Å; E176-R178 PolarHBondContact O-N 3.08Å; R178-R182 VanDerWaalsContact O-CB 3.28Å; R178-R182 WeakPolarHBondContact O-CB 3.15Å; R178-R182 PolarHBondContact O-N 3.4Å
179	Y	93.6	Very high	94.1	Very high	37 Å²	37	58.4 Å²	58.4	15%	0.145	28%	0.277	C	S	.	.	H	α-helix	trans	-69.1	-48.8	176.8	-165.7	-77.9	0	0	0	110.1	Y175 E176 R177 N181 R182 F183 R185 L186 P187	Y175-Y179 HydrophobicContact CE1-CD2 4.47Å; Y175-Y179 WeakPolarHBondContact O-CB 3.02Å; Y175-Y179 PolarHBondContact O-N 3.11Å; E176-Y179 WeakPolarHBondContact O-CB 3.46Å; E176-Y179 PolarHBondContact O-N 2.88Å; R177-Y179 VanDerWaalsContact C-N 3.31Å; Y179-N181 PolarHBondContact O-N 3.3Å; Y179-R182 PolarHBondContact O-N 3.08Å; Y179-R182 VanDerWaalsContact O-N 3.09Å; Y179-F183 HydrophobicContact CD1-CB 4.44Å; Y179-F183 AromaticContact CD1-CD2 3.75Å; Y179-F183 HydrophobicContact CD1-CD2 3.75Å; Y179-F183 AromaticContact CD2-CD2 3.81Å; Y179-F183 HydrophobicContact CD2-CD2 3.81Å; Y179-F183 AromaticContact CD2-CE2 3.81Å; Y179-F183 HydrophobicContact CD2-CE2 3.81Å; Y179-F183 HydrophobicContact CE1-CB 4.2Å; Y179-F183 AromaticContact CE1-CD2 3.68Å; Y179-F183 HydrophobicContact CE1-CD2 3.68Å; Y179-F183 HydrophobicContact CE1-CE2 4.44Å; Y179-F183 HydrophobicContact CE1-CG 4.27Å; Y179-F183 AromaticContact CE2-CD2 3.75Å; Y179-F183 HydrophobicContact CE2-CD2 3.75Å; Y179-F183 AromaticContact CE2-CE2 3.68Å; Y179-F183 HydrophobicContact CE2-CE2 3.68Å; Y179-F183 AromaticContact CG-CD2 3.8Å; Y179-F183 HydrophobicContact CG-CD2 3.8Å; Y179-F183 HydrophobicContact CG-CE2 4.25Å; Y179-F183 AromaticContact CZ-CD2 3.69Å; Y179-F183 WeakPolarHBondContact O-CD2 3.46Å; Y179-F183 PolarHBondContact O-N 2.81Å; Y179-R185 VanDerWaalsContact CD1-O 3.29Å; Y179-R185 WeakPolarHBondContact CD1-O 3.41Å; Y179-R185 HydrophobicContact CE1-CG 4.43Å; Y179-R185 PolarHBondContact OH-NH1 2.76Å; Y179-R185 VanDerWaalsContact OH-NH1 3.1Å; Y179-R185 PolarHBondContact OH-NH2 2.78Å; Y179-L186 WeakPolarHBondContact CE1-O 3.37Å; Y179-P187 HydrophobicContact CD1-CB 4.07Å; Y179-P187 HydrophobicContact CD2-CB 4.21Å; Y179-P187 HydrophobicContact CE1-CB 4.22Å; Y179-P187 HydrophobicContact CE2-CB 4.35Å; Y179-P187 HydrophobicContact CG-CB 4.08Å
180	Q	93.9	Very high	94.1	Very high	85 Å²	85	59.9 Å²	59.9	40%	0.397	29%	0.286	S	S	.	.	H	α-helix	trans	-60.1	-45.9	176.2	-168.2	177	17.7	0	0	112.6	E176 R182 G184 R185	E176-Q180 WeakPolarHBondContact O-CB 3.33Å; E176-Q180 PolarHBondContact O-N 3.35Å; Q180-R182 PolarHBondContact O-N 3.02Å; Q180-G184 WeakPolarHBondContact O-CA 3.37Å; Q180-G184 PolarHBondContact O-N 2.91Å; Q180-R185 WeakPolarHBondContact CA-O 3.46Å
181	N	94.3	Very high	94.1	Very high	129 Å²	129	59.7 Å²	59.7	69%	0.69	29%	0.285	S	S	*	.	H	α-helix	trans	-65.5	-17.7	176.6	-71	-2.4	0	0	0	113.9	R177 Y179	R177-N181 VanDerWaalsContact O-CB 3.26Å; R177-N181 WeakPolarHBondContact O-CB 3.44Å; R177-N181 PolarHBondContact O-N 3.22Å; R177-N181 PolarHBondContact O-OD1 2.72Å; Y179-N181 PolarHBondContact O-N 3.3Å
182	R	94	Very high	94.1	Very high	196 Å²	196	62.5 Å²	62.5	74%	0.74	30%	0.3	S	S	*	.	H	α-helix	trans	-98	-38.8	180	177.7	176.4	-71.6	-167	-5.2	113	R178 Y179 Q180	R178-R182 VanDerWaalsContact O-CB 3.28Å; R178-R182 WeakPolarHBondContact O-CB 3.15Å; R178-R182 PolarHBondContact O-N 3.4Å; Y179-R182 PolarHBondContact O-N 3.08Å; Y179-R182 VanDerWaalsContact O-N 3.09Å; Q180-R182 PolarHBondContact O-N 3.02Å
183	F	94.7	Very high	94.1	Very high	85 Å²	85	66 Å²	66	37%	0.373	32%	0.319	S	S	.	.	H	α-helix	trans	-116.7	1.9	-169.4	-59.8	-68.2	0	0	0	113.7	Y179 R185 L746	Y179-F183 HydrophobicContact CD1-CB 4.44Å; Y179-F183 AromaticContact CD1-CD2 3.75Å; Y179-F183 HydrophobicContact CD1-CD2 3.75Å; Y179-F183 AromaticContact CD2-CD2 3.81Å; Y179-F183 HydrophobicContact CD2-CD2 3.81Å; Y179-F183 AromaticContact CD2-CE2 3.81Å; Y179-F183 HydrophobicContact CD2-CE2 3.81Å; Y179-F183 HydrophobicContact CE1-CB 4.2Å; Y179-F183 AromaticContact CE1-CD2 3.68Å; Y179-F183 HydrophobicContact CE1-CD2 3.68Å; Y179-F183 HydrophobicContact CE1-CE2 4.44Å; Y179-F183 HydrophobicContact CE1-CG 4.27Å; Y179-F183 AromaticContact CE2-CD2 3.75Å; Y179-F183 HydrophobicContact CE2-CD2 3.75Å; Y179-F183 AromaticContact CE2-CE2 3.68Å; Y179-F183 HydrophobicContact CE2-CE2 3.68Å; Y179-F183 AromaticContact CG-CD2 3.8Å; Y179-F183 HydrophobicContact CG-CD2 3.8Å; Y179-F183 HydrophobicContact CG-CE2 4.25Å; Y179-F183 AromaticContact CZ-CD2 3.69Å; Y179-F183 WeakPolarHBondContact O-CD2 3.46Å; Y179-F183 PolarHBondContact O-N 2.81Å; F183-R185 HydrophobicContact CB-CG 4.25Å; F183-R185 PolarHBondContact O-N 2.83Å; F183-L746 HydrophobicContact CZ-CD2 4.18Å
184	G	94.7	Very high	94.2	Very high	71 Å²	71	64.9 Å²	64.9	73%	0.732	32%	0.315	S	S	*	.	S	Bend	trans	71.1	-9.1	-178.3	0	0	0	0	0	115.3	Q180	Q180-G184 WeakPolarHBondContact O-CA 3.37Å; Q180-G184 PolarHBondContact O-N 2.91Å
185	R	94.5	Very high	94.4	Very high	135 Å²	135	64.9 Å²	64.9	51%	0.509	31%	0.314	S	S	.	.	S	Bend	trans	-132.4	161.6	-174.8	65.2	-176.9	175.3	77.4	-4.1	111.6	Y179 Q180 F183	Y179-R185 VanDerWaalsContact CD1-O 3.29Å; Y179-R185 WeakPolarHBondContact CD1-O 3.41Å; Y179-R185 HydrophobicContact CE1-CG 4.43Å; Y179-R185 PolarHBondContact OH-NH1 2.76Å; Y179-R185 VanDerWaalsContact OH-NH1 3.1Å; Y179-R185 PolarHBondContact OH-NH2 2.78Å; Q180-R185 WeakPolarHBondContact CA-O 3.46Å; F183-R185 HydrophobicContact CB-CG 4.25Å; F183-R185 PolarHBondContact O-N 2.83Å
186	L	92.6	Very high	94.5	Very high	74 Å²	74	63 Å²	63	39%	0.387	31%	0.308	S	S	.	.			trans	-70.7	160	173.4	-71.4	171	0	0	0	112	Y179 V190	Y179-L186 WeakPolarHBondContact CE1-O 3.37Å; L186-V190 HydrophobicContact CB-CG1 4.03Å; L186-V190 HydrophobicContact CD1-CG1 4.21Å
187	P	92.8	Very high	94.5	Very high	10 Å²	10	65.2 Å²	65.2	7%	0.065	32%	0.317	C	S	.	.			trans	-63.7	159.9	169.7	27.9	-35.2	0	0	0	111.8	Y175 E176 Y179 M189 V190	Y175-P187 HydrophobicContact CE1-CB 4.06Å; Y175-P187 HydrophobicContact CE1-CG 4.19Å; E176-P187 HydrophobicContact CG-CG 4.28Å; Y179-P187 HydrophobicContact CD1-CB 4.07Å; Y179-P187 HydrophobicContact CD2-CB 4.21Å; Y179-P187 HydrophobicContact CE1-CB 4.22Å; Y179-P187 HydrophobicContact CE2-CB 4.35Å; Y179-P187 HydrophobicContact CG-CB 4.08Å; P187-M189 WeakPolarHBondContact CG-O 3.22Å; P187-M189 PolarHBondContact O-N 2.88Å; P187-M189 VanDerWaalsContact O-N 3.13Å; P187-V190 HydrophobicContact CG-CG1 4.25Å
188	I	91.3	Very high	94.6	Very high	129 Å²	129	63.2 Å²	63.2	66%	0.662	31%	0.31	S	S	*	.	S	Bend	trans	-60.6	-23.1	-178.4	-64.7	170.3	0	0	0	113
189	M	94	Very high	94.8	Very high	27 Å²	27	59.7 Å²	59.7	13%	0.133	30%	0.298	C	S	.	.	S	Bend	trans	-134	130.1	172.1	-175.6	173.2	71.9	0	0	107.2	P187 D193 F194 I380 H383	P187-M189 WeakPolarHBondContact CG-O 3.22Å; P187-M189 PolarHBondContact O-N 2.88Å; P187-M189 VanDerWaalsContact O-N 3.13Å; M189-D193 WeakPolarHBondContact CA-OD2 3.21Å; M189-D193 HydrophobicContact CG-CB 3.98Å; M189-F194 HydrophobicContact CE-CD1 3.91Å; M189-F194 HydrophobicContact CE-CE1 3.92Å; M189-F194 HydrophobicContact CG-CD1 3.91Å; M189-F194 HydrophobicContact CG-CE1 4.18Å; M189-F194 HydrophobicContact SD-CD1 4.02Å; M189-I380 HydrophobicContact CE-CG1 4.36Å; M189-I380 HydrophobicContact SD-CG1 4.33Å; M189-H383 HydrophobicContact CE-CB 3.29Å; M189-H383 VanDerWaalsContact CE-CG 3.49Å; M189-H383 PolarHBondContact O-CE1 2.87Å
190	V	95.7	Very high	94.9	Very high	32 Å²	32	58.1 Å²	58.1	19%	0.194	29%	0.292	C	S	.	.			trans	-107.5	163.2	-176.7	-68	0	0	0	0	111	E176 L186 P187 D192 D193 F194	E176-V190 WeakPolarHBondContact OE1-CA 3.3Å; E176-V190 WeakPolarHBondContact OE1-CB 3.48Å; L186-V190 HydrophobicContact CB-CG1 4.03Å; L186-V190 HydrophobicContact CD1-CG1 4.21Å; P187-V190 HydrophobicContact CG-CG1 4.25Å; V190-D192 VanDerWaalsContact C-N 3.3Å; V190-D192 PolarHBondContact O-N 3.22Å; V190-D193 VanDerWaalsContact CG2-OD2 3.32Å; V190-D193 WeakPolarHBondContact CG2-OD2 3.45Å; V190-D193 PolarHBondContact N-OD2 3.34Å; V190-D193 VanDerWaalsContact O-CB 3.25Å; V190-D193 WeakPolarHBondContact O-CB 3.46Å; V190-D193 PolarHBondContact O-N 3.39Å; V190-F194 VanDerWaalsContact O-CD1 3.27Å; V190-F194 WeakPolarHBondContact O-CD1 3.35Å; V190-F194 VanDerWaalsContact O-CE1 3.26Å; V190-F194 WeakPolarHBondContact O-CE1 3.14Å
191	M	95.2	Very high	94.9	Very high	13 Å²	13	54 Å²	54	6%	0.064	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-58	-41.1	-176.2	-179.4	178.5	61.4	0	0	112.1	L169 L172 R173 E176 D193 F194 F195	L169-M191 HydrophobicContact CD1-SD 4.06Å; L172-M191 HydrophobicContact CB-CG 4.21Å; L172-M191 HydrophobicContact CB-SD 3.85Å; L172-M191 HydrophobicContact CD1-CG 4.01Å; L172-M191 HydrophobicContact CD1-SD 4.25Å; R173-M191 HydrophobicContact CG-CE 3.84Å; R173-M191 HydrophobicContact CG-SD 4.11Å; E176-M191 WeakPolarHBondContact OE1-CB 3.41Å; E176-M191 PolarHBondContact OE1-N 3.4Å; M191-D193 PolarHBondContact O-N 2.98Å; M191-F194 PolarHBondContact O-N 3.06Å; M191-F195 HydrophobicContact CG-CB 3.77Å; M191-F195 HydrophobicContact CG-CD1 4.14Å; M191-F195 HydrophobicContact CG-CG 4.32Å; M191-F195 WeakPolarHBondContact O-CA 3.28Å; M191-F195 WeakPolarHBondContact O-CB 3.45Å; M191-F195 PolarHBondContact O-N 2.99Å; M191-F195 HydrophobicContact SD-CD1 4.17Å
192	D	94.5	Very high	94.8	Very high	60 Å²	60	48.4 Å²	48.4	32%	0.321	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-66.9	-13.4	179.2	-70.9	-6.6	0	0	0	113.2	V190 F194 K197 K413	V190-D192 VanDerWaalsContact C-N 3.3Å; V190-D192 PolarHBondContact O-N 3.22Å; D192-F194 VanDerWaalsContact C-N 3.32Å; D192-K197 WeakPolarHBondContact OD1-CD 3.36Å; D192-K197 IonicContact OD1-NZ 2.69Å; D192-K197 PolarHBondContact OD1-NZ 3.13Å; D192-K197 IonicContact OD2-NZ 3.45Å; D192-K197 PolarHBondContact OD2-NZ 2.84Å; D192-K413 PolarHBondContact O-NZ 3.42Å
193	D	95.8	Very high	94.6	Very high	74 Å²	74	40.8 Å²	40.8	40%	0.396	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-72.7	-24.9	174.3	-63.8	-30	0	0	0	112.6	M189 V190 M191 K413	M189-D193 WeakPolarHBondContact CA-OD2 3.21Å; M189-D193 HydrophobicContact CG-CB 3.98Å; V190-D193 VanDerWaalsContact CG2-OD2 3.32Å; V190-D193 WeakPolarHBondContact CG2-OD2 3.45Å; V190-D193 PolarHBondContact N-OD2 3.34Å; V190-D193 VanDerWaalsContact O-CB 3.25Å; V190-D193 WeakPolarHBondContact O-CB 3.46Å; V190-D193 PolarHBondContact O-N 3.39Å; M191-D193 PolarHBondContact O-N 2.98Å; D193-K413 WeakPolarHBondContact O-CE 3.36Å
194	F	97.5	Very high	94.4	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.8	-6.9	-171.3	66.5	-94.8	0	0	0	115.2	L172 M189 V190 M191 D192 I380 H383 V384 W415 L416	L172-F194 HydrophobicContact CD1-CE2 3.9Å; L172-F194 HydrophobicContact CD1-CZ 4.15Å; L172-F194 HydrophobicContact CD2-CE2 4.38Å; L172-F194 HydrophobicContact CD2-CZ 4.05Å; M189-F194 HydrophobicContact CE-CD1 3.91Å; M189-F194 HydrophobicContact CE-CE1 3.92Å; M189-F194 HydrophobicContact CG-CD1 3.91Å; M189-F194 HydrophobicContact CG-CE1 4.18Å; M189-F194 HydrophobicContact SD-CD1 4.02Å; V190-F194 VanDerWaalsContact O-CD1 3.27Å; V190-F194 WeakPolarHBondContact O-CD1 3.35Å; V190-F194 VanDerWaalsContact O-CE1 3.26Å; V190-F194 WeakPolarHBondContact O-CE1 3.14Å; M191-F194 PolarHBondContact O-N 3.06Å; D192-F194 VanDerWaalsContact C-N 3.32Å; F194-I380 HydrophobicContact CB-CD1 3.75Å; F194-I380 HydrophobicContact CB-CG1 3.76Å; F194-I380 HydrophobicContact CB-CG2 3.98Å; F194-I380 HydrophobicContact CD2-CG2 3.44Å; F194-I380 VanDerWaalsContact CD2-CG2 3.44Å; F194-I380 HydrophobicContact CE2-CG2 4.03Å; F194-I380 HydrophobicContact CG-CG1 4.16Å; F194-I380 HydrophobicContact CG-CG2 3.74Å; F194-H383 AromaticContact CE1-CD2 3.81Å; F194-H383 AromaticContact CE1-NE2 3.9Å; F194-H383 AromaticContact CZ-CD2 3.61Å; F194-H383 AromaticContact CZ-NE2 3.86Å; F194-V384 HydrophobicContact CE2-CG2 3.77Å; F194-V384 HydrophobicContact CZ-CG2 4.24Å; F194-W415 CarbonylContact O-C 3.55Å; F194-W415 WeakPolarHBondContact O-CA 3.1Å; F194-L416 HydrophobicContact CD2-CB 4.32Å; F194-L416 HydrophobicContact CE2-CD2 4.48Å; F194-L416 PolarHBondContact O-N 2.91Å
195	F	97.5	Very high	94.3	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.018	20%	0.201	C	C	.	.	S	Bend	trans	-125.7	122.3	-179.2	-166	-102.9	0	0	0	109.6	L168 L169 L172 M191 T198 L416	L168-F195 HydrophobicContact CD2-CE2 3.78Å; L168-F195 HydrophobicContact CD2-CZ 4.33Å; L168-F195 HydrophobicContact CG-CE2 4.45Å; L169-F195 HydrophobicContact CD1-CE1 4.11Å; L172-F195 HydrophobicContact CD1-CB 4.44Å; L172-F195 HydrophobicContact CD1-CG 4.3Å; M191-F195 HydrophobicContact CG-CB 3.77Å; M191-F195 HydrophobicContact CG-CD1 4.14Å; M191-F195 HydrophobicContact CG-CG 4.32Å; M191-F195 WeakPolarHBondContact O-CA 3.28Å; M191-F195 WeakPolarHBondContact O-CB 3.45Å; M191-F195 PolarHBondContact O-N 2.99Å; M191-F195 HydrophobicContact SD-CD1 4.17Å; F195-T198 HydrophobicContact CE1-CG2 4.47Å; F195-T198 WeakPolarHBondContact CE1-OG1 3.31Å; F195-L416 HydrophobicContact CD2-CB 4.34Å; F195-L416 HydrophobicContact CD2-CD2 4.44Å; F195-L416 HydrophobicContact CD2-CG 4.34Å; F195-L416 VanDerWaalsContact CD2-O 3.29Å; F195-L416 WeakPolarHBondContact CD2-O 3.42Å
196	P	96.6	Very high	94.3	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.039	18%	0.18	C	C	.	.			trans	-61.7	145.5	-175.6	-22.3	32.4	0	0	0	112.1	T198 Q269 I272 W415 L416	P196-T198 PolarHBondContact O-N 2.81Å; P196-T198 PolarHBondContact O-OG1 2.89Å; P196-Q269 HydrophobicContact CB-CG 3.79Å; P196-Q269 HydrophobicContact CG-CG 4.49Å; P196-I272 HydrophobicContact CG-CD1 4.16Å; P196-I272 HydrophobicContact CG-CG1 4.35Å; P196-W415 HydrophobicContact CB-CE3 4.3Å; P196-W415 HydrophobicContact CB-CZ3 4.47Å; P196-W415 HydrophobicContact CG-CB 4.17Å; P196-W415 HydrophobicContact CG-CD2 4.13Å; P196-W415 HydrophobicContact CG-CE3 3.74Å; P196-W415 HydrophobicContact CG-CG 4.37Å; P196-W415 HydrophobicContact CG-CZ3 4.39Å; P196-L416 WeakPolarHBondContact CD-O 3.23Å
197	K	95.1	Very high	94.3	Very high	59 Å²	59	32.9 Å²	32.9	26%	0.257	17%	0.165	S	C	.	.			trans	-51.8	124.7	-174.8	-152.8	75.8	-172	169.1	0	110.7	D192 F199 W223 Q269 R270	D192-K197 WeakPolarHBondContact OD1-CD 3.36Å; D192-K197 IonicContact OD1-NZ 2.69Å; D192-K197 PolarHBondContact OD1-NZ 3.13Å; D192-K197 IonicContact OD2-NZ 3.45Å; D192-K197 PolarHBondContact OD2-NZ 2.84Å; K197-F199 HydrophobicContact CG-CE2 4.36Å; K197-W223 HydrophobicContact CB-CH2 4.49Å; K197-W223 WeakPolarHBondContact O-CZ3 3.28Å; K197-Q269 CarbonylContact O-C 3.56Å; K197-Q269 WeakPolarHBondContact O-CA 3.36Å; K197-R270 HydrophobicContact CB-CB 4.15Å; K197-R270 PolarHBondContact O-N 2.87Å
198	T	96.4	Very high	94.4	Very high	6 Å²	6	37 Å²	37	4%	0.037	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	139	-169.6	-57.9	0	0	0	0	110.8	L169 R173 F195 P196 I267 I268 Q269	L169-T198 HydrophobicContact CD1-CG2 4.1Å; L169-T198 HydrophobicContact CD2-CG2 3.74Å; L169-T198 HydrophobicContact CG-CG2 4.5Å; R173-T198 PolarHBondContact NH2-O 2.77Å; F195-T198 HydrophobicContact CE1-CG2 4.47Å; F195-T198 WeakPolarHBondContact CE1-OG1 3.31Å; P196-T198 PolarHBondContact O-N 2.81Å; P196-T198 PolarHBondContact O-OG1 2.89Å; T198-I267 HydrophobicContact CG2-CB 3.85Å; T198-I267 HydrophobicContact CG2-CD1 3.81Å; T198-I267 HydrophobicContact CG2-CG1 4.37Å; T198-I267 HydrophobicContact CG2-CG2 4.24Å; T198-I268 CarbonylContact C-O 3.57Å; T198-I268 VanDerWaalsContact CA-O 3.29Å; T198-I268 WeakPolarHBondContact CA-O 3.42Å; T198-I268 WeakPolarHBondContact CG2-O 3.27Å; T198-Q269 HydrophobicContact CG2-CB 4.26Å; T198-Q269 WeakPolarHBondContact OG1-CG 2.9Å; T198-Q269 PolarHBondContact OG1-NE2 3.25Å
199	F	95.8	Very high	94.4	Very high	21 Å²	21	32.9 Å²	32.9	9%	0.092	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.6	175.2	-61.3	-88.6	0	0	0	111.4	K197 E206 A209 Y210 L213 W223 I267 I268	K197-F199 HydrophobicContact CG-CE2 4.36Å; F199-E206 VanDerWaalsContact CA-OE2 3.32Å; F199-E206 WeakPolarHBondContact CA-OE2 3.39Å; F199-E206 HydrophobicContact CB-CB 4.32Å; F199-E206 HydrophobicContact CD1-CB 4.34Å; F199-A209 HydrophobicContact CD1-CB 4.46Å; F199-A209 HydrophobicContact CE1-CB 4.04Å; F199-Y210 AromaticContact CD2-CD2 4Å; F199-Y210 HydrophobicContact CD2-CD2 4Å; F199-Y210 HydrophobicContact CD2-CG 4.38Å; F199-Y210 HydrophobicContact CE2-CD2 4.25Å; F199-L213 HydrophobicContact CE2-CD2 3.81Å; F199-L213 HydrophobicContact CZ-CD2 3.97Å; F199-W223 HydrophobicContact CD2-CH2 4.31Å; F199-W223 AromaticContact CD2-CZ3 3.98Å; F199-W223 HydrophobicContact CD2-CZ3 3.98Å; F199-W223 AromaticContact CE2-CH2 3.9Å; F199-W223 HydrophobicContact CE2-CH2 3.9Å; F199-W223 HydrophobicContact CE2-CZ3 4.03Å; F199-I267 CarbonylContact O-C 2.98Å; F199-I267 VanDerWaalsContact O-CA 3.26Å; F199-I267 WeakPolarHBondContact O-CA 3.29Å; F199-I268 HydrophobicContact CB-CG2 3.95Å; F199-I268 HydrophobicContact CD2-CG2 4.46Å; F199-I268 PolarHBondContact N-O 3.32Å; F199-I268 PolarHBondContact O-N 2.95Å
200	I	95.3	Very high	94.5	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.015	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	100.5	171.5	-52.5	167.5	0	0	0	108.2	L166 L169 D202 D203 E206 I267	L166-I200 HydrophobicContact CD1-CD1 3.51Å; L166-I200 HydrophobicContact CD1-CG1 3.71Å; L166-I200 HydrophobicContact CD1-CG2 4.48Å; L169-I200 HydrophobicContact CD2-CD1 4.48Å; L169-I200 HydrophobicContact CD2-CG1 3.87Å; I200-D202 PolarHBondContact O-N 2.95Å; I200-D203 HydrophobicContact CB-CB 4.14Å; I200-D203 HydrophobicContact CG2-CB 4.11Å; I200-D203 PolarHBondContact O-N 2.84Å; I200-E206 HydrophobicContact CB-CB 4.5Å; I200-E206 WeakPolarHBondContact CD1-OE1 3.42Å; I200-E206 PolarHBondContact N-OE2 3.22Å; I200-E206 WeakPolarHBondContact O-CB 3.46Å; I200-I267 HydrophobicContact CG1-CG2 4.41Å
201	V	94.3	Very high	94.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-10.2	-174.7	-62.8	0	0	0	0	114.6	R207 F245 L249 R266 I268	V201-R207 PolarHBondContact O-NE 3.44Å; V201-R207 PolarHBondContact O-NH2 2.87Å; V201-F245 HydrophobicContact CB-CZ 4.27Å; V201-F245 HydrophobicContact CG1-CE1 4.08Å; V201-F245 HydrophobicContact CG1-CZ 3.96Å; V201-F245 HydrophobicContact CG2-CZ 4.27Å; V201-L249 HydrophobicContact CB-CD2 4Å; V201-L249 HydrophobicContact CG2-CD2 4.01Å; V201-R266 HydrophobicContact CG2-CB 3.81Å; V201-R266 PolarHBondContact N-O 3.17Å; V201-I268 HydrophobicContact CG1-CB 3.5Å; V201-I268 VanDerWaalsContact CG1-CB 3.5Å; V201-I268 HydrophobicContact CG1-CG2 3.25Å
202	D	92.4	Very high	94.2	Very high	11 Å²	11	36.2 Å²	36.2	6%	0.059	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	2.9	172.2	-64.5	-37.3	0	0	0	112.5	I200 R252 P265 R266 Y536	I200-D202 PolarHBondContact O-N 2.95Å; D202-R252 IonicContact OD1-CZ 3.92Å; D202-R252 IonicContact OD1-NE 2.71Å; D202-R252 PolarHBondContact OD1-NE 2.89Å; D202-R252 IonicContact OD1-NH2 3.84Å; D202-R252 IonicContact OD2-CZ 3.01Å; D202-R252 IonicContact OD2-NE 3.18Å; D202-R252 PolarHBondContact OD2-NE 3.3Å; D202-R252 IonicContact OD2-NH2 2.81Å; D202-R252 PolarHBondContact OD2-NH2 3.27Å; D202-P265 HydrophobicContact CB-CB 4.32Å; D202-P265 VanDerWaalsContact OD2-C 3.31Å; D202-P265 WeakPolarHBondContact OD2-CA 3.49Å; D202-R266 PolarHBondContact OD2-N 2.99Å; D202-Y536 HydrophobicContact CB-CD1 3.96Å; D202-Y536 HydrophobicContact CB-CD2 3.75Å; D202-Y536 HydrophobicContact CB-CE1 4.35Å; D202-Y536 HydrophobicContact CB-CE2 4.17Å; D202-Y536 HydrophobicContact CB-CG 3.62Å; D202-Y536 WeakPolarHBondContact O-CD2 3.3Å; D202-Y536 WeakPolarHBondContact O-CE2 3.49Å
203	D	91	Very high	94	Very high	36 Å²	36	35.8 Å²	35.8	19%	0.193	18%	0.177	C	C	.	.	S	Bend	trans	-97.2	127.1	158.7	179.3	-77.4	0	0	0	107.9	I200 K205 E206 R207	I200-D203 HydrophobicContact CB-CB 4.14Å; I200-D203 HydrophobicContact CG2-CB 4.11Å; I200-D203 PolarHBondContact O-N 2.84Å; D203-K205 VanDerWaalsContact C-N 3.28Å; D203-K205 PolarHBondContact O-N 3.43Å; D203-K205 WeakPolarHBondContact OD1-CA 3.18Å; D203-K205 WeakPolarHBondContact OD1-CB 3.28Å; D203-K205 PolarHBondContact OD1-N 3.16Å; D203-E206 HydrophobicContact CB-CB 4.25Å; D203-E206 PolarHBondContact O-N 2.96Å; D203-E206 PolarHBondContact OD1-N 3.42Å; D203-R207 VanDerWaalsContact O-CB 3.29Å; D203-R207 WeakPolarHBondContact O-CB 3.37Å; D203-R207 PolarHBondContact O-N 3.36Å
204	L	90.4	Very high	93.7	Very high	72 Å²	72	34.2 Å²	34.2	38%	0.377	17%	0.167	S	C	.	.	H	α-helix	trans	-65.6	-31.4	-173.9	-66.5	175.7	0	0	0	112.6	R207 E208 P539	L204-R207 PolarHBondContact O-N 3.22Å; L204-E208 WeakPolarHBondContact O-CG 3.3Å; L204-E208 PolarHBondContact O-N 3.36Å; L204-P539 HydrophobicContact CD1-CG 4.33Å
205	K	91.2	Very high	93.1	Very high	93 Å²	93	40.4 Å²	40.4	40%	0.404	20%	0.196	S	C	.	.	H	α-helix	trans	-79.5	-33.8	-178.8	-66.1	-177.9	172.4	177.8	0	111.6	D203 A209 E616	D203-K205 VanDerWaalsContact C-N 3.28Å; D203-K205 PolarHBondContact O-N 3.43Å; D203-K205 WeakPolarHBondContact OD1-CA 3.18Å; D203-K205 WeakPolarHBondContact OD1-CB 3.28Å; D203-K205 PolarHBondContact OD1-N 3.16Å; K205-A209 VanDerWaalsContact O-CB 3.3Å; K205-A209 WeakPolarHBondContact O-CB 3.33Å; K205-A209 PolarHBondContact O-N 3.03Å; K205-E616 IonicContact NZ-OE1 2.71Å; K205-E616 PolarHBondContact NZ-OE1 3.03Å; K205-E616 IonicContact NZ-OE2 3.32Å; K205-E616 PolarHBondContact NZ-OE2 3.17Å
206	E	94.1	Very high	92.4	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.061	23%	0.227	C	C	.	.	H	α-helix	trans	-74	-31.5	169.2	-74.4	-168.4	-137.1	0	0	113	R173 F199 I200 D203 A209 Y210 Y617	R173-E206 IonicContact CZ-OE1 2.76Å; R173-E206 IonicContact CZ-OE2 3.45Å; R173-E206 IonicContact NH1-OE1 3.61Å; R173-E206 PolarHBondContact NH1-OE1 3.23Å; R173-E206 IonicContact NH1-OE2 2.77Å; R173-E206 PolarHBondContact NH1-OE2 3.04Å; R173-E206 IonicContact NH2-OE1 2.69Å; R173-E206 IonicContact NH2-OE2 3.85Å; R173-E206 PolarHBondContact NH2-OE2 3.43Å; F199-E206 VanDerWaalsContact CA-OE2 3.32Å; F199-E206 WeakPolarHBondContact CA-OE2 3.39Å; F199-E206 HydrophobicContact CB-CB 4.32Å; F199-E206 HydrophobicContact CD1-CB 4.34Å; I200-E206 HydrophobicContact CB-CB 4.5Å; I200-E206 WeakPolarHBondContact CD1-OE1 3.42Å; I200-E206 PolarHBondContact N-OE2 3.22Å; I200-E206 WeakPolarHBondContact O-CB 3.46Å; D203-E206 HydrophobicContact CB-CB 4.25Å; D203-E206 PolarHBondContact O-N 2.96Å; D203-E206 PolarHBondContact OD1-N 3.42Å; E206-A209 PolarHBondContact O-N 3.45Å; E206-Y210 VanDerWaalsContact O-CB 3.26Å; E206-Y210 WeakPolarHBondContact O-CB 3.47Å; E206-Y210 PolarHBondContact O-N 3.44Å; E206-Y617 PolarHBondContact OE1-OH 3.24Å
207	R	94.2	Very high	91.5	Very high	20 Å²	20	48.3 Å²	48.3	8%	0.075	24%	0.238	C	C	.	.	H	α-helix	trans	-62.3	-47.4	169.3	-173.3	-170.2	-67.6	-175.6	-2.6	111.1	V201 D203 L204 Y210 F211 L249 D253 Y536	V201-R207 PolarHBondContact O-NE 3.44Å; V201-R207 PolarHBondContact O-NH2 2.87Å; D203-R207 VanDerWaalsContact O-CB 3.29Å; D203-R207 WeakPolarHBondContact O-CB 3.37Å; D203-R207 PolarHBondContact O-N 3.36Å; L204-R207 PolarHBondContact O-N 3.22Å; R207-Y210 PolarHBondContact O-N 3.35Å; R207-F211 HydrophobicContact CG-CD2 4.32Å; R207-F211 HydrophobicContact CG-CE1 4.4Å; R207-F211 HydrophobicContact CG-CE2 3.7Å; R207-F211 HydrophobicContact CG-CZ 3.75Å; R207-F211 WeakPolarHBondContact O-CG 3.42Å; R207-F211 PolarHBondContact O-N 2.78Å; R207-L249 HydrophobicContact CG-CD1 4.06Å; R207-D253 IonicContact CZ-OD1 3.17Å; R207-D253 IonicContact CZ-OD2 2.67Å; R207-D253 IonicContact NH1-OD1 2.74Å; R207-D253 PolarHBondContact NH1-OD1 3.11Å; R207-D253 IonicContact NH1-OD2 2.76Å; R207-D253 PolarHBondContact NH1-OD2 3.35Å; R207-D253 IonicContact NH2-OD1 2.75Å; R207-D253 PolarHBondContact NH2-OD1 3.33Å; R207-D253 IonicContact NH2-OD2 3.15Å; R207-Y536 PolarHBondContact NH2-OH 3.16Å
208	E	93.3	Very high	90	Very high	96 Å²	96	55.3 Å²	55.3	45%	0.449	27%	0.272	S	S	.	.	H	α-helix	trans	-61	-44.8	172.5	-80.7	-177.6	-131.7	0	0	112.9	L204 Y210 F211 K212	L204-E208 WeakPolarHBondContact O-CG 3.3Å; L204-E208 PolarHBondContact O-N 3.36Å; E208-Y210 VanDerWaalsContact C-N 3.27Å; E208-Y210 PolarHBondContact O-N 3.21Å; E208-F211 PolarHBondContact O-N 3.38Å; E208-K212 WeakPolarHBondContact O-CB 3.43Å; E208-K212 WeakPolarHBondContact O-CD 3.38Å; E208-K212 VanDerWaalsContact O-CG 3.31Å; E208-K212 WeakPolarHBondContact O-CG 3.49Å; E208-K212 PolarHBondContact O-N 3.29Å; E208-K212 IonicContact OE2-NZ 2.8Å; E208-K212 PolarHBondContact OE2-NZ 3.35Å
209	A	93.3	Very high	88.2	Confident	43 Å²	43	57.4 Å²	57.4	36%	0.355	29%	0.29	S	S	.	.	H	α-helix	trans	-65.4	-32.9	179	0	0	0	0	0	112.1	F199 K205 E206 L213	F199-A209 HydrophobicContact CD1-CB 4.46Å; F199-A209 HydrophobicContact CE1-CB 4.04Å; K205-A209 VanDerWaalsContact O-CB 3.3Å; K205-A209 WeakPolarHBondContact O-CB 3.33Å; K205-A209 PolarHBondContact O-N 3.03Å; E206-A209 PolarHBondContact O-N 3.45Å; A209-L213 WeakPolarHBondContact O-CB 3.43Å; A209-L213 PolarHBondContact O-N 3.44Å; A209-L213 VanDerWaalsContact O-N 3.08Å
210	Y	94.2	Very high	86.5	Confident	1 Å²	1	62.3 Å²	62.3	0%	0.004	32%	0.324	C	S	.	.	H	α-helix	trans	-67.2	-47.5	171.4	167.6	-112.6	0	0	0	112	F199 E206 R207 E208 L213 Q214 W223 I242 F245 I268	F199-Y210 AromaticContact CD2-CD2 4Å; F199-Y210 HydrophobicContact CD2-CD2 4Å; F199-Y210 HydrophobicContact CD2-CG 4.38Å; F199-Y210 HydrophobicContact CE2-CD2 4.25Å; E206-Y210 VanDerWaalsContact O-CB 3.26Å; E206-Y210 WeakPolarHBondContact O-CB 3.47Å; E206-Y210 PolarHBondContact O-N 3.44Å; R207-Y210 PolarHBondContact O-N 3.35Å; E208-Y210 VanDerWaalsContact C-N 3.27Å; E208-Y210 PolarHBondContact O-N 3.21Å; Y210-L213 WeakPolarHBondContact O-CB 3.5Å; Y210-L213 PolarHBondContact O-N 2.99Å; Y210-Q214 HydrophobicContact CD2-CG 4.29Å; Y210-Q214 HydrophobicContact CE2-CG 3.7Å; Y210-Q214 PolarHBondContact O-N 3.13Å; Y210-Q214 VanDerWaalsContact O-N 3.11Å; Y210-W223 HydrophobicContact CD2-CD2 4.46Å; Y210-W223 HydrophobicContact CD2-CE3 4.4Å; Y210-W223 HydrophobicContact CD2-CH2 4.36Å; Y210-W223 HydrophobicContact CD2-CZ2 4.33Å; Y210-W223 HydrophobicContact CD2-CZ3 4.37Å; Y210-W223 AromaticContact CE2-CD2 3.66Å; Y210-W223 HydrophobicContact CE2-CD2 3.66Å; Y210-W223 AromaticContact CE2-CE2 3.58Å; Y210-W223 AromaticContact CE2-CE3 4Å; Y210-W223 HydrophobicContact CE2-CE3 4Å; Y210-W223 HydrophobicContact CE2-CG 4.07Å; Y210-W223 HydrophobicContact CE2-CH2 4.34Å; Y210-W223 AromaticContact CE2-CZ2 3.96Å; Y210-W223 HydrophobicContact CE2-CZ2 3.96Å; Y210-W223 HydrophobicContact CE2-CZ3 4.34Å; Y210-W223 AromaticContact CE2-NE1 3.77Å; Y210-I242 HydrophobicContact CE1-CD1 3.61Å; Y210-F245 HydrophobicContact CD1-CE1 4.42Å; Y210-F245 AromaticContact CE1-CD1 3.86Å; Y210-F245 HydrophobicContact CE1-CD1 3.86Å; Y210-F245 AromaticContact CE1-CE1 3.78Å; Y210-F245 HydrophobicContact CE1-CE1 3.78Å; Y210-I268 HydrophobicContact CD1-CG2 4.41Å; Y210-I268 HydrophobicContact CD2-CG2 4.06Å; Y210-I268 HydrophobicContact CE1-CD1 3.94Å; Y210-I268 HydrophobicContact CE2-CD1 4.19Å; Y210-I268 HydrophobicContact CE2-CG2 4.28Å; Y210-I268 HydrophobicContact CG-CG2 4.13Å
211	F	93.3	Very high	85.7	Confident	35 Å²	35	63.5 Å²	63.5	15%	0.154	33%	0.329	C	S	.	.	H	α-helix	trans	-60.9	-47	175.9	-64.8	-23.5	0	0	0	111.7	R207 E208 L213 Q214 E215 I242 K246 L249	R207-F211 HydrophobicContact CG-CD2 4.32Å; R207-F211 HydrophobicContact CG-CE1 4.4Å; R207-F211 HydrophobicContact CG-CE2 3.7Å; R207-F211 HydrophobicContact CG-CZ 3.75Å; R207-F211 WeakPolarHBondContact O-CG 3.42Å; R207-F211 PolarHBondContact O-N 2.78Å; E208-F211 PolarHBondContact O-N 3.38Å; F211-L213 PolarHBondContact O-N 3.1Å; F211-Q214 CarbonylContact O-C 3.52Å; F211-Q214 WeakPolarHBondContact O-CA 3.46Å; F211-Q214 PolarHBondContact O-N 2.79Å; F211-E215 WeakPolarHBondContact O-CG 3.49Å; F211-E215 PolarHBondContact O-N 3.03Å; F211-I242 HydrophobicContact CD1-CD1 3.92Å; F211-I242 HydrophobicContact CD1-CG1 4.46Å; F211-I242 HydrophobicContact CE1-CD1 3.98Å; F211-K246 HydrophobicContact CE1-CG 3.95Å; F211-K246 HydrophobicContact CE2-CG 4.22Å; F211-K246 HydrophobicContact CZ-CG 3.63Å; F211-L249 HydrophobicContact CE1-CD1 4.2Å; F211-L249 HydrophobicContact CZ-CD1 3.8Å
212	K	91.4	Very high	85.6	Confident	107 Å²	107	64.1 Å²	64.1	47%	0.465	33%	0.333	S	S	.	.	H	α-helix	trans	-59.6	-31	175.4	-72	161.3	-177.4	163.1	0	112.7	E208 N216	E208-K212 WeakPolarHBondContact O-CB 3.43Å; E208-K212 WeakPolarHBondContact O-CD 3.38Å; E208-K212 VanDerWaalsContact O-CG 3.31Å; E208-K212 WeakPolarHBondContact O-CG 3.49Å; E208-K212 PolarHBondContact O-N 3.29Å; E208-K212 IonicContact OE2-NZ 2.8Å; E208-K212 PolarHBondContact OE2-NZ 3.35Å; K212-N216 PolarHBondContact O-N 2.93Å; K212-N216 PolarHBondContact O-ND2 2.94Å
213	L	90.7	Very high	85.8	Confident	50 Å²	50	63.6 Å²	63.6	26%	0.262	33%	0.33	S	S	.	.	H	α-helix	trans	-68	-44.2	171.6	179.7	64.9	0	0	0	111.4	F199 A209 Y210 F211 E215 N216 D217 W223	F199-L213 HydrophobicContact CE2-CD2 3.81Å; F199-L213 HydrophobicContact CZ-CD2 3.97Å; A209-L213 WeakPolarHBondContact O-CB 3.43Å; A209-L213 PolarHBondContact O-N 3.44Å; A209-L213 VanDerWaalsContact O-N 3.08Å; Y210-L213 WeakPolarHBondContact O-CB 3.5Å; Y210-L213 PolarHBondContact O-N 2.99Å; F211-L213 PolarHBondContact O-N 3.1Å; L213-E215 VanDerWaalsContact C-N 3.28Å; L213-E215 PolarHBondContact O-N 3.35Å; L213-N216 PolarHBondContact O-N 3.46Å; L213-D217 WeakPolarHBondContact CD1-OD2 3.41Å; L213-D217 WeakPolarHBondContact CG-OD2 3.49Å; L213-D217 PolarHBondContact O-N 3.44Å; L213-W223 HydrophobicContact CD2-CH2 3.75Å; L213-W223 HydrophobicContact CD2-CZ2 3.92Å
214	Q	88.9	Confident	86	Confident	41 Å²	41	62.5 Å²	62.5	19%	0.192	32%	0.324	C	S	.	.	H	α-helix	trans	-71	-19.8	177.7	-59.8	-60.1	-105	0	0	114.3	Y210 F211 W223 I242	Y210-Q214 HydrophobicContact CD2-CG 4.29Å; Y210-Q214 HydrophobicContact CE2-CG 3.7Å; Y210-Q214 PolarHBondContact O-N 3.13Å; Y210-Q214 VanDerWaalsContact O-N 3.11Å; F211-Q214 CarbonylContact O-C 3.52Å; F211-Q214 WeakPolarHBondContact O-CA 3.46Å; F211-Q214 PolarHBondContact O-N 2.79Å; Q214-W223 VanDerWaalsContact CD-NE1 3.33Å; Q214-I242 HydrophobicContact CG-CD1 4.36Å
215	E	86.2	Confident	86.3	Confident	131 Å²	131	59.1 Å²	59.1	61%	0.612	31%	0.306	S	S	*	.	H	α-helix	trans	-79.1	-18.1	171.3	-70.5	159	-170.9	0	0	113.1	F211 L213	F211-E215 WeakPolarHBondContact O-CG 3.49Å; F211-E215 PolarHBondContact O-N 3.03Å; L213-E215 VanDerWaalsContact C-N 3.28Å; L213-E215 PolarHBondContact O-N 3.35Å
216	N	82.7	Confident	86.5	Confident	124 Å²	124	55.4 Å²	55.4	66%	0.663	29%	0.29	S	S	*	.	H	α-helix	trans	-109.9	-23.1	-178	-75.1	-84.5	0	0	0	114.2	K212 L213 E218	K212-N216 PolarHBondContact O-N 2.93Å; K212-N216 PolarHBondContact O-ND2 2.94Å; L213-N216 PolarHBondContact O-N 3.46Å; N216-E218 PolarHBondContact O-N 3.11Å
217	D	76.4	Confident	86.4	Confident	52 Å²	52	55.3 Å²	55.3	28%	0.278	29%	0.29	S	S	.	.			trans	-77.4	109.9	176.1	-75.7	-26.8	0	0	0	110.5	L213 A219 H221	L213-D217 WeakPolarHBondContact CD1-OD2 3.41Å; L213-D217 WeakPolarHBondContact CG-OD2 3.49Å; L213-D217 PolarHBondContact O-N 3.44Å; D217-A219 PolarHBondContact O-N 2.9Å; D217-H221 IonicContact OD2-CD2 2.66Å; D217-H221 PolarHBondContact OD2-CD2 2.83Å; D217-H221 IonicContact OD2-NE2 3.96Å
218	E	64.5	Low	86	Confident	206 Å²	206	54.5 Å²	54.5	96%	0.963	29%	0.287	S	S	*	.	S	Bend	trans	-59.4	-17.1	-179.3	-65	-175.5	158.1	0	0	115	N216	N216-E218 PolarHBondContact O-N 3.11Å
219	A	59.3	Low	85.2	Confident	51 Å²	51	52 Å²	52	42%	0.421	29%	0.288	S	S	.	.	S	Bend	trans	-111.6	125.8	-177	0	0	0	0	0	110.8	D217 H221	D217-A219 PolarHBondContact O-N 2.9Å; A219-H221 PolarHBondContact O-CE1 3.44Å; A219-H221 VanDerWaalsContact O-CE1 3.27Å; A219-H221 PolarHBondContact O-N 3.39Å; A219-H221 VanDerWaalsContact O-N 3.08Å; A219-H221 PolarHBondContact O-ND1 3.25Å
220	P	60.1	Low	84.6	Confident	123 Å²	123	54.3 Å²	54.3	80%	0.799	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-60	117.9	179.9	24.1	-33.5	0	0	0	110.6
221	H	78.6	Confident	83.7	Confident	29 Å²	29	58.4 Å²	58.4	13%	0.134	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-96.4	126.3	-177.2	-75	1.3	0	0	0	110.3	D217 A219 W223 R270	D217-H221 IonicContact OD2-CD2 2.66Å; D217-H221 PolarHBondContact OD2-CD2 2.83Å; D217-H221 IonicContact OD2-NE2 3.96Å; A219-H221 PolarHBondContact O-CE1 3.44Å; A219-H221 VanDerWaalsContact O-CE1 3.27Å; A219-H221 PolarHBondContact O-N 3.39Å; A219-H221 VanDerWaalsContact O-N 3.08Å; A219-H221 PolarHBondContact O-ND1 3.25Å; H221-W223 PolarHBondContact O-NE1 3.46Å; H221-R270 PolarHBondContact CD2-NH1 3.45Å; H221-R270 PolarHBondContact CD2-NH2 2.85Å; H221-R270 PolarHBondContact CE1-NH2 2.94Å; H221-R270 VanDerWaalsContact CE1-NH2 3.34Å; H221-R270 VanDerWaalsContact NE2-CZ 3.25Å; H221-R270 PolarHBondContact NE2-NH1 2.79Å; H221-R270 PolarHBondContact NE2-NH2 2.65Å
222	M	92.4	Very high	82.9	Confident	13 Å²	13	60.5 Å²	60.5	6%	0.064	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-74.7	136.7	169.8	-173.6	157.7	68.2	0	0	110.1	L238 R240 Y271 I273	M222-L238 HydrophobicContact CE-CD1 4.5Å; M222-L238 HydrophobicContact SD-CB 4.46Å; M222-L238 HydrophobicContact SD-CD1 3.95Å; M222-R240 HydrophobicContact CG-CG 4.39Å; M222-R240 HydrophobicContact SD-CG 4.03Å; M222-R240 PolarHBondContact SD-NH1 3.08Å; M222-R240 VanDerWaalsContact SD-NH1 3.38Å; M222-Y271 HydrophobicContact CE-CD1 3.39Å; M222-Y271 HydrophobicContact CE-CD2 4.49Å; M222-Y271 HydrophobicContact CE-CE1 3.41Å; M222-Y271 VanDerWaalsContact CE-CE1 3.41Å; M222-Y271 HydrophobicContact CE-CE2 4.48Å; M222-Y271 HydrophobicContact CE-CG 3.98Å; M222-Y271 HydrophobicContact CG-CD1 4.47Å; M222-Y271 HydrophobicContact CG-CG 4.35Å; M222-Y271 VanDerWaalsContact O-CB 3.28Å; M222-Y271 WeakPolarHBondContact O-CB 3.35Å; M222-Y271 PolarHBondContact O-N 3.27Å; M222-I273 HydrophobicContact CB-CD1 4.25Å; M222-I273 HydrophobicContact CB-CG1 4.27Å
223	W	95.3	Very high	82	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	167	175.2	-58.7	75.5	0	0	0	111.3	K197 F199 Y210 L213 Q214 H221 L238 V239 I268 Q269 R270	K197-W223 HydrophobicContact CB-CH2 4.49Å; K197-W223 WeakPolarHBondContact O-CZ3 3.28Å; F199-W223 HydrophobicContact CD2-CH2 4.31Å; F199-W223 AromaticContact CD2-CZ3 3.98Å; F199-W223 HydrophobicContact CD2-CZ3 3.98Å; F199-W223 AromaticContact CE2-CH2 3.9Å; F199-W223 HydrophobicContact CE2-CH2 3.9Å; F199-W223 HydrophobicContact CE2-CZ3 4.03Å; Y210-W223 HydrophobicContact CD2-CD2 4.46Å; Y210-W223 HydrophobicContact CD2-CE3 4.4Å; Y210-W223 HydrophobicContact CD2-CH2 4.36Å; Y210-W223 HydrophobicContact CD2-CZ2 4.33Å; Y210-W223 HydrophobicContact CD2-CZ3 4.37Å; Y210-W223 AromaticContact CE2-CD2 3.66Å; Y210-W223 HydrophobicContact CE2-CD2 3.66Å; Y210-W223 AromaticContact CE2-CE2 3.58Å; Y210-W223 AromaticContact CE2-CE3 4Å; Y210-W223 HydrophobicContact CE2-CE3 4Å; Y210-W223 HydrophobicContact CE2-CG 4.07Å; Y210-W223 HydrophobicContact CE2-CH2 4.34Å; Y210-W223 AromaticContact CE2-CZ2 3.96Å; Y210-W223 HydrophobicContact CE2-CZ2 3.96Å; Y210-W223 HydrophobicContact CE2-CZ3 4.34Å; Y210-W223 AromaticContact CE2-NE1 3.77Å; L213-W223 HydrophobicContact CD2-CH2 3.75Å; L213-W223 HydrophobicContact CD2-CZ2 3.92Å; Q214-W223 VanDerWaalsContact CD-NE1 3.33Å; H221-W223 PolarHBondContact O-NE1 3.46Å; W223-L238 CarbonylContact O-C 3.48Å; W223-L238 WeakPolarHBondContact O-CA 3.33Å; W223-V239 HydrophobicContact CB-CB 4.21Å; W223-V239 PolarHBondContact N-O 3.19Å; W223-V239 PolarHBondContact O-N 3.22Å; W223-I268 HydrophobicContact CB-CD1 3.79Å; W223-I268 HydrophobicContact CB-CG1 3.53Å; W223-I268 HydrophobicContact CD2-CG1 4.33Å; W223-I268 HydrophobicContact CE3-CG1 4.08Å; W223-I268 HydrophobicContact CE3-CG2 4.38Å; W223-I268 HydrophobicContact CG-CD1 4.28Å; W223-I268 HydrophobicContact CG-CG1 4.11Å; W223-Q269 CarbonylContact C-O 3.54Å; W223-Q269 WeakPolarHBondContact CA-O 3.49Å; W223-R270 HydrophobicContact CD2-CB 4.43Å; W223-R270 VanDerWaalsContact CE3-CA 3.44Å; W223-R270 HydrophobicContact CE3-CB 4.01Å; W223-R270 HydrophobicContact CH2-CB 4Å; W223-R270 HydrophobicContact CZ2-CB 4.47Å; W223-R270 HydrophobicContact CZ3-CB 3.78Å
224	I	95.7	Very high	81.6	Confident	13 Å²	13	57.9 Å²	57.9	7%	0.067	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116	178.1	-177.8	166	0	0	0	109.4	K226 I236 L238 Q269 Y271 L324	I224-K226 HydrophobicContact CG1-CG 4.17Å; I224-I236 HydrophobicContact CD1-CG2 3.7Å; I224-I236 HydrophobicContact CG1-CG2 3.53Å; I224-L238 HydrophobicContact CB-CD2 4.05Å; I224-L238 HydrophobicContact CD1-CD2 4.28Å; I224-L238 HydrophobicContact CG1-CD2 4.19Å; I224-Q269 HydrophobicContact CG2-CB 4.13Å; I224-Q269 VanDerWaalsContact CG2-O 3.3Å; I224-Q269 WeakPolarHBondContact CG2-O 3.47Å; I224-Q269 PolarHBondContact N-O 2.89Å; I224-Q269 PolarHBondContact O-N 3.01Å; I224-Y271 HydrophobicContact CB-CD2 4.17Å; I224-Y271 HydrophobicContact CD1-CD2 4.34Å; I224-Y271 HydrophobicContact CG2-CD2 4.34Å; I224-L324 HydrophobicContact CD1-CD2 3.96Å
225	C	96.3	Very high	81.5	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	113.4	-176.8	-167.8	0	0	0	0	110.1	I236 F237 V239 F245 R266 I267	C225-I236 WeakPolarHBondContact O-CA 3.12Å; C225-F237 HydrophobicContact CB-CD2 3.89Å; C225-F237 HydrophobicContact CB-CE1 4.37Å; C225-F237 HydrophobicContact CB-CE2 3.5Å; C225-F237 HydrophobicContact CB-CG 4.46Å; C225-F237 HydrophobicContact CB-CZ 3.77Å; C225-F237 PolarHBondContact N-O 3.11Å; C225-F237 PolarHBondContact O-N 2.96Å; C225-V239 HydrophobicContact CB-CG2 4.3Å; C225-F245 HydrophobicContact CB-CE2 4.4Å; C225-R266 PolarHBondContact O-NH2 2.92Å; C225-R266 PolarHBondContact SG-NE 2.69Å; C225-I267 CarbonylContact C-O 3.58Å; C225-I267 WeakPolarHBondContact CA-O 3.46Å
226	K	94.6	Very high	81.7	Confident	15 Å²	15	52.5 Å²	52.5	7%	0.065	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.1	-172.2	-54.5	177.8	176.3	175.8	0	111.4	K165 I224 I236 R266 I267	K165-K226 HydrophobicContact CD-CB 4.12Å; I224-K226 HydrophobicContact CG1-CG 4.17Å; K226-I236 HydrophobicContact CB-CG1 4.47Å; K226-I236 HydrophobicContact CG-CD1 4.13Å; K226-I236 HydrophobicContact CG-CG1 4.28Å; K226-R266 WeakPolarHBondContact O-CA 3.38Å; K226-I267 HydrophobicContact CB-CD1 4.44Å; K226-I267 HydrophobicContact CB-CG1 4.01Å; K226-I267 PolarHBondContact N-O 3.23Å; K226-I267 PolarHBondContact O-N 3.07Å
227	P	92.3	Very high	82.3	Confident	12 Å²	12	49 Å²	49	8%	0.078	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	136.6	168.7	29.4	-34.8	0	0	0	110.6	G229 Q230 K234	P227-G229 VanDerWaalsContact C-N 3.3Å; P227-G229 PolarHBondContact O-N 2.68Å; P227-Q230 HydrophobicContact CB-CG 4.37Å; P227-Q230 HydrophobicContact CG-CB 3.98Å; P227-Q230 HydrophobicContact CG-CG 4.17Å; P227-K234 WeakPolarHBondContact CG-O 3.49Å
228	I	86.8	Confident	83.1	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-27.7	-166.7	68.9	168	0	0	0	113.9	N164 L166 P265 I267 P533	N164-I228 PolarHBondContact ND2-O 2.81Å; N164-I228 PolarHBondContact OD1-O 3.01Å; L166-I228 HydrophobicContact CB-CB 3.98Å; L166-I228 HydrophobicContact CB-CD1 3.84Å; L166-I228 HydrophobicContact CB-CG2 3.74Å; L166-I228 HydrophobicContact CD2-CD1 3.6Å; L166-I228 HydrophobicContact CG-CD1 4.38Å; I228-P265 HydrophobicContact CD1-CB 4.07Å; I228-P265 HydrophobicContact CD1-CG 4.1Å; I228-P265 WeakPolarHBondContact CG1-O 3.34Å; I228-P265 HydrophobicContact CG2-CB 4.34Å; I228-P265 VanDerWaalsContact CG2-O 3.25Å; I228-P265 WeakPolarHBondContact CG2-O 3.17Å; I228-P265 PolarHBondContact N-O 2.79Å; I228-P265 VanDerWaalsContact N-O 3.08Å; I228-I267 HydrophobicContact CG2-CG2 4.12Å; I228-P533 HydrophobicContact CD1-CB 3.78Å
229	G	76.7	Confident	84.6	Confident	45 Å²	45	38.1 Å²	38.1	46%	0.464	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	19.2	-170.1	0	0	0	0	0	114.8	P227	P227-G229 VanDerWaalsContact C-N 3.3Å; P227-G229 PolarHBondContact O-N 2.68Å
230	Q	79.2	Confident	86.1	Confident	91 Å²	91	39.3 Å²	39.3	43%	0.425	22%	0.221	S	C	.	.			trans	-120.1	155.2	174.6	-57.3	-176.2	-9.6	0	0	111.5	K165 P227 K234	K165-Q230 PolarHBondContact NZ-O 2.71Å; P227-Q230 HydrophobicContact CB-CG 4.37Å; P227-Q230 HydrophobicContact CG-CB 3.98Å; P227-Q230 HydrophobicContact CG-CG 4.17Å; Q230-K234 HydrophobicContact CB-CB 4.45Å; Q230-K234 VanDerWaalsContact OE1-C 3.25Å; Q230-K234 PolarHBondContact OE1-O 2.84Å; Q230-K234 VanDerWaalsContact OE1-O 3.13Å
231	N	76.5	Confident	87.6	Confident	86 Å²	86	37 Å²	37	46%	0.46	20%	0.201	S	C	.	.			trans	-121.1	-169.2	179.2	62.5	3.2	0	0	0	109.9	G233 K234	N231-G233 PolarHBondContact O-N 2.8Å; N231-K234 WeakPolarHBondContact O-CB 3.31Å; N231-K234 PolarHBondContact O-N 3.22Å
232	Q	75.9	Confident	88.2	Confident	80 Å²	80	37.6 Å²	37.6	37%	0.374	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	15.7	172.5	-62.5	175.8	-16.7	0	0	115.5	K234 F328	Q232-K234 HydrophobicContact CB-CD 4.36Å; Q232-K234 HydrophobicContact CB-CG 4.38Å; Q232-K234 PolarHBondContact O-N 3.08Å; Q232-K234 VanDerWaalsContact OE1-CE 3.3Å; Q232-F328 HydrophobicContact CB-CB 3.83Å; Q232-F328 HydrophobicContact CB-CD1 3.88Å; Q232-F328 HydrophobicContact CB-CD2 4.44Å; Q232-F328 HydrophobicContact CB-CG 3.78Å; Q232-F328 HydrophobicContact CG-CB 4.21Å; Q232-F328 HydrophobicContact CG-CG 4.28Å; Q232-F328 VanDerWaalsContact O-CD1 3.28Å; Q232-F328 WeakPolarHBondContact O-CD1 3.37Å
233	G	73.4	Confident	88.2	Confident	12 Å²	12	41.6 Å²	41.6	12%	0.124	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	4.2	-173.1	0	0	0	0	0	114.9	N231 I236	N231-G233 PolarHBondContact O-N 2.8Å; G233-I236 PolarHBondContact O-N 2.89Å
234	K	81.1	Confident	88	Confident	89 Å²	89	47.9 Å²	47.9	39%	0.387	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	139.1	-177.1	-71	171.8	172.4	167.5	0	111.6	P227 Q230 N231 Q232 I236 F328	P227-K234 WeakPolarHBondContact CG-O 3.49Å; Q230-K234 HydrophobicContact CB-CB 4.45Å; Q230-K234 VanDerWaalsContact OE1-C 3.25Å; Q230-K234 PolarHBondContact OE1-O 2.84Å; Q230-K234 VanDerWaalsContact OE1-O 3.13Å; N231-K234 WeakPolarHBondContact O-CB 3.31Å; N231-K234 PolarHBondContact O-N 3.22Å; Q232-K234 HydrophobicContact CB-CD 4.36Å; Q232-K234 HydrophobicContact CB-CG 4.38Å; Q232-K234 PolarHBondContact O-N 3.08Å; Q232-K234 VanDerWaalsContact OE1-CE 3.3Å; K234-I236 PolarHBondContact O-N 3.41Å; K234-I236 VanDerWaalsContact O-N 3.1Å; K234-F328 HydrophobicContact CD-CE1 4.47Å; K234-F328 VanDerWaalsContact CE-CE1 3.45Å; K234-F328 HydrophobicContact CG-CE1 4.23Å
235	G	87.3	Confident	88	Confident	40 Å²	40	47.5 Å²	47.5	41%	0.412	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	2.4	-179.4	0	0	0	0	0	116	R266	G235-R266 PolarHBondContact O-NH1 2.79Å; G235-R266 PolarHBondContact O-NH2 3.4Å
236	I	91.6	Very high	87.9	Confident	19 Å²	19	50.7 Å²	50.7	10%	0.097	27%	0.265	C	S	.	.			trans	-78.1	137.3	176.3	-60	-173.7	0	0	0	110	I224 C225 K226 G233 K234 L320 L324	I224-I236 HydrophobicContact CD1-CG2 3.7Å; I224-I236 HydrophobicContact CG1-CG2 3.53Å; C225-I236 WeakPolarHBondContact O-CA 3.12Å; K226-I236 HydrophobicContact CB-CG1 4.47Å; K226-I236 HydrophobicContact CG-CD1 4.13Å; K226-I236 HydrophobicContact CG-CG1 4.28Å; G233-I236 PolarHBondContact O-N 2.89Å; K234-I236 PolarHBondContact O-N 3.41Å; K234-I236 VanDerWaalsContact O-N 3.1Å; I236-L320 WeakPolarHBondContact O-CD1 3.4Å; I236-L324 HydrophobicContact CB-CD1 4.37Å; I236-L324 HydrophobicContact CG2-CD1 4.32Å; I236-L324 HydrophobicContact CG2-CD2 4.23Å
237	F	93.7	Very high	87.9	Confident	52 Å²	52	53.9 Å²	53.9	23%	0.228	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	164.5	166	58.4	-104.6	0	0	0	110.9	C225 V239 F245 H248 R266	C225-F237 HydrophobicContact CB-CD2 3.89Å; C225-F237 HydrophobicContact CB-CE1 4.37Å; C225-F237 HydrophobicContact CB-CE2 3.5Å; C225-F237 HydrophobicContact CB-CG 4.46Å; C225-F237 HydrophobicContact CB-CZ 3.77Å; C225-F237 PolarHBondContact N-O 3.11Å; C225-F237 PolarHBondContact O-N 2.96Å; F237-V239 HydrophobicContact CD2-CG2 4.07Å; F237-V239 HydrophobicContact CE2-CG2 3.68Å; F237-F245 AromaticContact CE2-CD2 3.96Å; F237-F245 HydrophobicContact CE2-CD2 3.96Å; F237-F245 AromaticContact CE2-CE2 3.93Å; F237-F245 HydrophobicContact CE2-CE2 3.93Å; F237-F245 HydrophobicContact CZ-CD2 4.27Å; F237-F245 AromaticContact CZ-CE2 3.98Å; F237-F245 HydrophobicContact CZ-CE2 3.98Å; F237-H248 AromaticContact CE1-CE1 3.61Å; F237-H248 AromaticContact CE1-NE2 3.67Å; F237-H248 AromaticContact CZ-CD2 3.69Å; F237-H248 AromaticContact CZ-CE1 3.73Å; F237-H248 AromaticContact CZ-NE2 3.5Å; F237-H248 WeakPolarHBondContact CZ-NE2 3.48Å; F237-R266 VanDerWaalsContact CE1-CZ 3.41Å
238	L	94.8	Very high	88.1	Confident	22 Å²	22	56.1 Å²	56.1	12%	0.115	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	144.2	171.8	-60.5	176	0	0	0	109.8	M222 W223 I224 Y271 L320 H323	M222-L238 HydrophobicContact CE-CD1 4.5Å; M222-L238 HydrophobicContact SD-CB 4.46Å; M222-L238 HydrophobicContact SD-CD1 3.95Å; W223-L238 CarbonylContact O-C 3.48Å; W223-L238 WeakPolarHBondContact O-CA 3.33Å; I224-L238 HydrophobicContact CB-CD2 4.05Å; I224-L238 HydrophobicContact CD1-CD2 4.28Å; I224-L238 HydrophobicContact CG1-CD2 4.19Å; L238-Y271 HydrophobicContact CD2-CD2 3.62Å; L238-Y271 HydrophobicContact CD2-CE2 3.9Å; L238-Y271 HydrophobicContact CD2-CG 4.44Å; L238-L320 HydrophobicContact CG-CD2 4.11Å; L238-H323 HydrophobicContact CD1-CB 4.2Å
239	V	94.2	Very high	88.4	Confident	7 Å²	7	56.1 Å²	56.1	4%	0.042	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.7	170.1	170.4	0	0	0	0	106.9	W223 C225 F237 D241 F245 I268	W223-V239 HydrophobicContact CB-CB 4.21Å; W223-V239 PolarHBondContact N-O 3.19Å; W223-V239 PolarHBondContact O-N 3.22Å; C225-V239 HydrophobicContact CB-CG2 4.3Å; F237-V239 HydrophobicContact CD2-CG2 4.07Å; F237-V239 HydrophobicContact CE2-CG2 3.68Å; V239-D241 WeakPolarHBondContact CG1-O 3.46Å; V239-F245 HydrophobicContact CG1-CB 3.81Å; V239-F245 HydrophobicContact CG1-CD1 4.22Å; V239-F245 HydrophobicContact CG1-CG 3.94Å; V239-F245 HydrophobicContact CG2-CB 4.22Å; V239-F245 HydrophobicContact CG2-CD1 4.29Å; V239-F245 HydrophobicContact CG2-CD2 3.49Å; V239-F245 VanDerWaalsContact CG2-CD2 3.49Å; V239-F245 HydrophobicContact CG2-CE2 3.88Å; V239-F245 HydrophobicContact CG2-CG 3.73Å; V239-F245 HydrophobicContact CG2-CZ 4.42Å; V239-I268 HydrophobicContact CB-CD1 4.13Å; V239-I268 HydrophobicContact CG1-CD1 4.33Å; V239-I268 HydrophobicContact CG2-CD1 3.82Å
240	R	91.8	Very high	89.2	Confident	76 Å²	76	60 Å²	60	29%	0.287	30%	0.299	S	S	.	.			trans	-120.8	-42.3	-178.3	-66.6	178.9	173.8	-81.2	3.7	111.3	M222 N315 D317 Q318	M222-R240 HydrophobicContact CG-CG 4.39Å; M222-R240 HydrophobicContact SD-CG 4.03Å; M222-R240 PolarHBondContact SD-NH1 3.08Å; M222-R240 VanDerWaalsContact SD-NH1 3.38Å; R240-N315 VanDerWaalsContact CZ-O 3.3Å; R240-N315 PolarHBondContact NH1-O 3.03Å; R240-N315 PolarHBondContact NH2-O 2.86Å; R240-D317 PolarHBondContact NH2-O 3.29Å; R240-Q318 VanDerWaalsContact CD-OE1 3.22Å
241	D	90.9	Very high	89.9	Confident	74 Å²	74	59.8 Å²	59.8	40%	0.396	30%	0.301	S	S	.	.			trans	-98.9	142.8	165	175.8	30.8	0	0	0	110.4	V239 E243 E244	V239-D241 WeakPolarHBondContact CG1-O 3.46Å; D241-E243 PolarHBondContact OD1-N 3.44Å; D241-E243 PolarHBondContact OD2-N 3Å; D241-E244 HydrophobicContact CB-CB 4.08Å; D241-E244 WeakPolarHBondContact OD2-CB 3.41Å; D241-E244 PolarHBondContact OD2-N 3.08Å
242	I	91.4	Very high	90.7	Very high	41 Å²	41	56.6 Å²	56.6	21%	0.21	28%	0.282	C	S	.	.	H	α-helix	trans	-86.5	-27.9	177.6	-167.9	60	0	0	0	112	Y210 F211 Q214 F245 K246	Y210-I242 HydrophobicContact CE1-CD1 3.61Å; F211-I242 HydrophobicContact CD1-CD1 3.92Å; F211-I242 HydrophobicContact CD1-CG1 4.46Å; F211-I242 HydrophobicContact CE1-CD1 3.98Å; Q214-I242 HydrophobicContact CG-CD1 4.36Å; I242-F245 HydrophobicContact CD1-CD1 4.48Å; I242-F245 PolarHBondContact O-N 2.9Å; I242-K246 WeakPolarHBondContact O-CG 3.33Å; I242-K246 PolarHBondContact O-N 3.03Å
243	E	92.1	Very high	91.5	Very high	98 Å²	98	53.7 Å²	53.7	46%	0.458	27%	0.269	S	S	.	.	H	α-helix	trans	-77.2	-44.1	178.8	-59	-50.1	131.9	0	0	111.8	D241 F245 K246 V247	D241-E243 PolarHBondContact OD1-N 3.44Å; D241-E243 PolarHBondContact OD2-N 3Å; E243-F245 PolarHBondContact O-N 2.82Å; E243-K246 WeakPolarHBondContact O-CB 3.5Å; E243-K246 PolarHBondContact O-N 3.18Å; E243-K246 VanDerWaalsContact O-N 3.11Å; E243-K246 IonicContact OE1-NZ 3.86Å; E243-K246 PolarHBondContact OE1-NZ 3.4Å; E243-K246 WeakPolarHBondContact OE2-CD 3.3Å; E243-K246 IonicContact OE2-NZ 2.81Å; E243-K246 PolarHBondContact OE2-NZ 3.13Å; E243-V247 WeakPolarHBondContact O-CG2 3.36Å; E243-V247 PolarHBondContact O-N 3.13Å
244	E	92.9	Very high	92.4	Very high	132 Å²	132	56.6 Å²	56.6	62%	0.617	28%	0.28	S	S	*	.	H	α-helix	trans	-50.8	-43.4	166.1	-172.9	-168.1	-175.3	0	0	110.8	D241 V247 H248	D241-E244 HydrophobicContact CB-CB 4.08Å; D241-E244 WeakPolarHBondContact OD2-CB 3.41Å; D241-E244 PolarHBondContact OD2-N 3.08Å; E244-V247 PolarHBondContact O-N 3.35Å; E244-H248 PolarHBondContact O-N 3.41Å
245	F	94.5	Very high	93	Very high	4 Å²	4	57 Å²	57	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-72.3	-33.4	179.8	-171.2	-120.5	0	0	0	113.4	V201 Y210 C225 F237 V239 I242 E243 V247 H248 L249 I268	V201-F245 HydrophobicContact CB-CZ 4.27Å; V201-F245 HydrophobicContact CG1-CE1 4.08Å; V201-F245 HydrophobicContact CG1-CZ 3.96Å; V201-F245 HydrophobicContact CG2-CZ 4.27Å; Y210-F245 HydrophobicContact CD1-CE1 4.42Å; Y210-F245 AromaticContact CE1-CD1 3.86Å; Y210-F245 HydrophobicContact CE1-CD1 3.86Å; Y210-F245 AromaticContact CE1-CE1 3.78Å; Y210-F245 HydrophobicContact CE1-CE1 3.78Å; C225-F245 HydrophobicContact CB-CE2 4.4Å; F237-F245 AromaticContact CE2-CD2 3.96Å; F237-F245 HydrophobicContact CE2-CD2 3.96Å; F237-F245 AromaticContact CE2-CE2 3.93Å; F237-F245 HydrophobicContact CE2-CE2 3.93Å; F237-F245 HydrophobicContact CZ-CD2 4.27Å; F237-F245 AromaticContact CZ-CE2 3.98Å; F237-F245 HydrophobicContact CZ-CE2 3.98Å; V239-F245 HydrophobicContact CG1-CB 3.81Å; V239-F245 HydrophobicContact CG1-CD1 4.22Å; V239-F245 HydrophobicContact CG1-CG 3.94Å; V239-F245 HydrophobicContact CG2-CB 4.22Å; V239-F245 HydrophobicContact CG2-CD1 4.29Å; V239-F245 HydrophobicContact CG2-CD2 3.49Å; V239-F245 VanDerWaalsContact CG2-CD2 3.49Å; V239-F245 HydrophobicContact CG2-CE2 3.88Å; V239-F245 HydrophobicContact CG2-CG 3.73Å; V239-F245 HydrophobicContact CG2-CZ 4.42Å; I242-F245 HydrophobicContact CD1-CD1 4.48Å; I242-F245 PolarHBondContact O-N 2.9Å; E243-F245 PolarHBondContact O-N 2.82Å; F245-V247 VanDerWaalsContact C-N 3.35Å; F245-H248 HydrophobicContact CD2-CB 4.31Å; F245-H248 AromaticContact CE2-CD2 3.99Å; F245-H248 PolarHBondContact O-N 3.23Å; F245-L249 HydrophobicContact CD1-CD1 3.89Å; F245-L249 HydrophobicContact CD1-CG 4.45Å; F245-L249 HydrophobicContact CE1-CD1 3.52Å; F245-L249 HydrophobicContact CE1-CD2 4.46Å; F245-L249 HydrophobicContact CE1-CG 4.09Å; F245-L249 HydrophobicContact CE2-CD2 4.35Å; F245-L249 HydrophobicContact CE2-CG 4.19Å; F245-L249 HydrophobicContact CZ-CD1 3.86Å; F245-L249 HydrophobicContact CZ-CD2 3.96Å; F245-L249 HydrophobicContact CZ-CG 3.93Å; F245-L249 WeakPolarHBondContact O-CB 3.22Å; F245-L249 VanDerWaalsContact O-CG 3.31Å; F245-L249 WeakPolarHBondContact O-CG 3.41Å; F245-L249 PolarHBondContact O-N 3.45Å; F245-I268 HydrophobicContact CD1-CD1 4.05Å; F245-I268 HydrophobicContact CE1-CD1 3.45Å; F245-I268 VanDerWaalsContact CE1-CD1 3.45Å; F245-I268 HydrophobicContact CE2-CD1 4.42Å; F245-I268 HydrophobicContact CZ-CD1 3.69Å
246	K	94.6	Very high	93.2	Very high	67 Å²	67	55 Å²	55	29%	0.291	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-41.5	168.8	-76.9	160.2	173.6	177.1	0	111.3	F211 I242 E243 L249 K250	F211-K246 HydrophobicContact CE1-CG 3.95Å; F211-K246 HydrophobicContact CE2-CG 4.22Å; F211-K246 HydrophobicContact CZ-CG 3.63Å; I242-K246 WeakPolarHBondContact O-CG 3.33Å; I242-K246 PolarHBondContact O-N 3.03Å; E243-K246 WeakPolarHBondContact O-CB 3.5Å; E243-K246 PolarHBondContact O-N 3.18Å; E243-K246 VanDerWaalsContact O-N 3.11Å; E243-K246 IonicContact OE1-NZ 3.86Å; E243-K246 PolarHBondContact OE1-NZ 3.4Å; E243-K246 WeakPolarHBondContact OE2-CD 3.3Å; E243-K246 IonicContact OE2-NZ 2.81Å; E243-K246 PolarHBondContact OE2-NZ 3.13Å; K246-L249 PolarHBondContact O-N 2.74Å; K246-K250 PolarHBondContact O-N 3.43Å
247	V	95.5	Very high	93.1	Very high	83 Å²	83	57.9 Å²	57.9	50%	0.503	27%	0.272	S	S	.	.	H	α-helix	trans	-63.7	-45.3	173.6	174.3	0	0	0	0	111.2	E243 E244 F245 L249 K250 N251	E243-V247 WeakPolarHBondContact O-CG2 3.36Å; E243-V247 PolarHBondContact O-N 3.13Å; E244-V247 PolarHBondContact O-N 3.35Å; F245-V247 VanDerWaalsContact C-N 3.35Å; V247-L249 VanDerWaalsContact C-N 3.32Å; V247-L249 PolarHBondContact O-N 3.25Å; V247-K250 PolarHBondContact O-N 2.86Å; V247-N251 VanDerWaalsContact O-CG 3.27Å; V247-N251 PolarHBondContact O-N 2.74Å; V247-N251 PolarHBondContact O-OD1 3.38Å
248	H	94.7	Very high	92.9	Very high	59 Å²	59	62.8 Å²	62.8	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-56.2	-45.3	174.2	177.6	83.9	0	0	0	112	F237 E244 F245 N251 R252	F237-H248 AromaticContact CE1-CE1 3.61Å; F237-H248 AromaticContact CE1-NE2 3.67Å; F237-H248 AromaticContact CZ-CD2 3.69Å; F237-H248 AromaticContact CZ-CE1 3.73Å; F237-H248 AromaticContact CZ-NE2 3.5Å; F237-H248 WeakPolarHBondContact CZ-NE2 3.48Å; E244-H248 PolarHBondContact O-N 3.41Å; F245-H248 HydrophobicContact CD2-CB 4.31Å; F245-H248 AromaticContact CE2-CD2 3.99Å; F245-H248 PolarHBondContact O-N 3.23Å; H248-N251 PolarHBondContact O-N 3.48Å; H248-R252 VanDerWaalsContact O-CB 3.24Å; H248-R252 WeakPolarHBondContact O-CB 3.37Å; H248-R252 PolarHBondContact O-N 2.86Å
249	L	94.5	Very high	92.6	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-66.2	-38.3	178.1	-71.4	170.8	0	0	0	112.3	V201 R207 F211 F245 K246 V247 R252 D253	V201-L249 HydrophobicContact CB-CD2 4Å; V201-L249 HydrophobicContact CG2-CD2 4.01Å; R207-L249 HydrophobicContact CG-CD1 4.06Å; F211-L249 HydrophobicContact CE1-CD1 4.2Å; F211-L249 HydrophobicContact CZ-CD1 3.8Å; F245-L249 HydrophobicContact CD1-CD1 3.89Å; F245-L249 HydrophobicContact CD1-CG 4.45Å; F245-L249 HydrophobicContact CE1-CD1 3.52Å; F245-L249 HydrophobicContact CE1-CD2 4.46Å; F245-L249 HydrophobicContact CE1-CG 4.09Å; F245-L249 HydrophobicContact CE2-CD2 4.35Å; F245-L249 HydrophobicContact CE2-CG 4.19Å; F245-L249 HydrophobicContact CZ-CD1 3.86Å; F245-L249 HydrophobicContact CZ-CD2 3.96Å; F245-L249 HydrophobicContact CZ-CG 3.93Å; F245-L249 WeakPolarHBondContact O-CB 3.22Å; F245-L249 VanDerWaalsContact O-CG 3.31Å; F245-L249 WeakPolarHBondContact O-CG 3.41Å; F245-L249 PolarHBondContact O-N 3.45Å; K246-L249 PolarHBondContact O-N 2.74Å; V247-L249 VanDerWaalsContact C-N 3.32Å; V247-L249 PolarHBondContact O-N 3.25Å; L249-R252 PolarHBondContact O-N 3.02Å; L249-D253 VanDerWaalsContact O-CG 3.23Å; L249-D253 PolarHBondContact O-N 2.99Å; L249-D253 VanDerWaalsContact O-OD1 3.11Å
250	K	93.6	Very high	92.2	Very high	125 Å²	125	70.5 Å²	70.5	54%	0.543	34%	0.341	S	S	.	.	H	α-helix	trans	-59.4	-51	173.5	-175.8	-168.2	171.5	-164.9	0	111.4	K246 V247 R252 D253 E254	K246-K250 PolarHBondContact O-N 3.43Å; V247-K250 PolarHBondContact O-N 2.86Å; K250-R252 PolarHBondContact O-N 2.9Å; K250-D253 PolarHBondContact O-N 3.05Å; K250-D253 VanDerWaalsContact O-N 3.14Å; K250-E254 WeakPolarHBondContact CE-OE1 3.43Å; K250-E254 WeakPolarHBondContact O-CG 3.44Å; K250-E254 PolarHBondContact O-N 2.68Å
251	N	93.8	Very high	91.9	Very high	88 Å²	88	70 Å²	70	47%	0.471	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-36.9	179.9	-62.7	-5.9	0	0	0	111.2	V247 H248 E254 E255	V247-N251 VanDerWaalsContact O-CG 3.27Å; V247-N251 PolarHBondContact O-N 2.74Å; V247-N251 PolarHBondContact O-OD1 3.38Å; H248-N251 PolarHBondContact O-N 3.48Å; N251-E254 WeakPolarHBondContact O-CB 3.47Å; N251-E254 PolarHBondContact O-N 2.9Å; N251-E255 PolarHBondContact O-N 3.23Å
252	R	93.2	Very high	91.7	Very high	18 Å²	18	66.5 Å²	66.5	7%	0.068	33%	0.331	C	S	.	.	H	α-helix	trans	-68.9	-36.4	175.4	176.9	171.4	178	67.7	8.2	113.5	D202 H248 L249 K250 E254 E255 A256 L263 L264	D202-R252 IonicContact OD1-CZ 3.92Å; D202-R252 IonicContact OD1-NE 2.71Å; D202-R252 PolarHBondContact OD1-NE 2.89Å; D202-R252 IonicContact OD1-NH2 3.84Å; D202-R252 IonicContact OD2-CZ 3.01Å; D202-R252 IonicContact OD2-NE 3.18Å; D202-R252 PolarHBondContact OD2-NE 3.3Å; D202-R252 IonicContact OD2-NH2 2.81Å; D202-R252 PolarHBondContact OD2-NH2 3.27Å; H248-R252 VanDerWaalsContact O-CB 3.24Å; H248-R252 WeakPolarHBondContact O-CB 3.37Å; H248-R252 PolarHBondContact O-N 2.86Å; L249-R252 PolarHBondContact O-N 3.02Å; K250-R252 PolarHBondContact O-N 2.9Å; R252-E254 VanDerWaalsContact C-N 3.28Å; R252-E255 IonicContact NH1-OE2 3.5Å; R252-E255 WeakPolarHBondContact O-CB 3.36Å; R252-E255 PolarHBondContact O-N 2.91Å; R252-A256 VanDerWaalsContact O-CB 3.31Å; R252-A256 WeakPolarHBondContact O-CB 3.43Å; R252-A256 PolarHBondContact O-N 2.91Å; R252-L263 HydrophobicContact CG-CD1 3.91Å; R252-L264 PolarHBondContact NH2-O 3.36Å
253	D	92.7	Very high	91.7	Very high	20 Å²	20	64.9 Å²	64.9	11%	0.107	32%	0.323	C	S	.	.	H	α-helix	trans	-67.4	-33.4	173.1	-68.8	2.9	0	0	0	110.8	R207 L249 K250 R257 Y536 P538	R207-D253 IonicContact CZ-OD1 3.17Å; R207-D253 IonicContact CZ-OD2 2.67Å; R207-D253 IonicContact NH1-OD1 2.74Å; R207-D253 PolarHBondContact NH1-OD1 3.11Å; R207-D253 IonicContact NH1-OD2 2.76Å; R207-D253 PolarHBondContact NH1-OD2 3.35Å; R207-D253 IonicContact NH2-OD1 2.75Å; R207-D253 PolarHBondContact NH2-OD1 3.33Å; R207-D253 IonicContact NH2-OD2 3.15Å; L249-D253 VanDerWaalsContact O-CG 3.23Å; L249-D253 PolarHBondContact O-N 2.99Å; L249-D253 VanDerWaalsContact O-OD1 3.11Å; K250-D253 PolarHBondContact O-N 3.05Å; K250-D253 VanDerWaalsContact O-N 3.14Å; D253-R257 WeakPolarHBondContact O-CG 3.27Å; D253-R257 PolarHBondContact O-N 3.33Å; D253-Y536 WeakPolarHBondContact OD1-CE1 3.32Å; D253-Y536 PolarHBondContact OD1-OH 2.81Å; D253-P538 HydrophobicContact CB-CG 4.35Å; D253-P538 WeakPolarHBondContact O-CG 3.44Å
254	E	92.2	Very high	91.5	Very high	72 Å²	72	63 Å²	63	34%	0.336	32%	0.315	S	S	.	.	H	α-helix	trans	-68.2	-46.6	172.4	-67.5	173.2	-168.6	0	0	111.4	K250 N251 R252 A256 R257 H258	K250-E254 WeakPolarHBondContact CE-OE1 3.43Å; K250-E254 WeakPolarHBondContact O-CG 3.44Å; K250-E254 PolarHBondContact O-N 2.68Å; N251-E254 WeakPolarHBondContact O-CB 3.47Å; N251-E254 PolarHBondContact O-N 2.9Å; R252-E254 VanDerWaalsContact C-N 3.28Å; E254-A256 VanDerWaalsContact C-N 3.3Å; E254-A256 PolarHBondContact O-N 3.32Å; E254-R257 PolarHBondContact O-N 3.46Å; E254-R257 VanDerWaalsContact O-N 3.17Å; E254-H258 PolarHBondContact O-N 3.12Å; E254-H258 VanDerWaalsContact O-N 3.16Å; E254-H258 PolarHBondContact O-ND1 2.98Å
255	E	92.7	Very high	91.4	Very high	97 Å²	97	57 Å²	57	45%	0.453	29%	0.288	S	S	.	.	H	α-helix	trans	-52.6	-47.1	170.7	-171.4	-160.1	176.1	0	0	111.1	N251 R252 R257 H258 Q259 L263	N251-E255 PolarHBondContact O-N 3.23Å; R252-E255 IonicContact NH1-OE2 3.5Å; R252-E255 WeakPolarHBondContact O-CB 3.36Å; R252-E255 PolarHBondContact O-N 2.91Å; E255-R257 PolarHBondContact O-N 3.29Å; E255-H258 PolarHBondContact O-N 3.37Å; E255-Q259 WeakPolarHBondContact O-CB 3.44Å; E255-Q259 PolarHBondContact O-N 3.33Å; E255-L263 HydrophobicContact CB-CD1 4.1Å; E255-L263 HydrophobicContact CG-CD1 3.98Å; E255-L263 HydrophobicContact CG-CD2 3.92Å; E255-L263 WeakPolarHBondContact OE1-CD2 3.45Å; E255-L263 VanDerWaalsContact OE2-CD1 3.22Å; E255-L263 WeakPolarHBondContact OE2-CD1 3.33Å
256	A	91	Very high	91.4	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-70.2	-24.4	-179.9	0	0	0	0	0	114.5	R252 E254 L263 Y536 P538	R252-A256 VanDerWaalsContact O-CB 3.31Å; R252-A256 WeakPolarHBondContact O-CB 3.43Å; R252-A256 PolarHBondContact O-N 2.91Å; E254-A256 VanDerWaalsContact C-N 3.3Å; E254-A256 PolarHBondContact O-N 3.32Å; A256-L263 HydrophobicContact CB-CD1 3.72Å; A256-L263 HydrophobicContact CB-CG 3.88Å; A256-Y536 HydrophobicContact CB-CD1 3.7Å; A256-Y536 HydrophobicContact CB-CE1 3.89Å; A256-P538 VanDerWaalsContact CB-CD 3.43Å; A256-P538 HydrophobicContact CB-CG 4.26Å
257	R	90	Very high	91.4	Very high	78 Å²	78	55 Å²	55	29%	0.294	28%	0.278	S	S	.	.	H	α-helix	trans	-70.8	-45.2	170.2	-79.9	-176.9	-79.7	-83.9	3.5	111.2	D253 E254 E255 P538	D253-R257 WeakPolarHBondContact O-CG 3.27Å; D253-R257 PolarHBondContact O-N 3.33Å; E254-R257 PolarHBondContact O-N 3.46Å; E254-R257 VanDerWaalsContact O-N 3.17Å; E255-R257 PolarHBondContact O-N 3.29Å; R257-P538 HydrophobicContact CG-CG 3.74Å
258	H	89.4	Confident	91.5	Very high	156 Å²	156	51 Å²	51	72%	0.722	25%	0.254	S	S	*	.	H	α-helix	trans	-75.9	-32.1	-176.3	-65.6	98.5	0	0	0	113.4	E254 E255 P260	E254-H258 PolarHBondContact O-N 3.12Å; E254-H258 VanDerWaalsContact O-N 3.16Å; E254-H258 PolarHBondContact O-ND1 2.98Å; E255-H258 PolarHBondContact O-N 3.37Å; H258-P260 VanDerWaalsContact O-CD 3.27Å; H258-P260 WeakPolarHBondContact O-CD 3.32Å
259	Q	88.7	Confident	91.6	Very high	72 Å²	72	48.3 Å²	48.3	34%	0.336	24%	0.242	S	C	.	.			trans	-78.1	115.1	179.3	-179.1	158.7	-9.5	0	0	112.3	E255 S261 G262 L263	E255-Q259 WeakPolarHBondContact O-CB 3.44Å; E255-Q259 PolarHBondContact O-N 3.33Å; Q259-S261 VanDerWaalsContact C-N 3.28Å; Q259-S261 WeakPolarHBondContact CG-OG 3.49Å; Q259-S261 PolarHBondContact NE2-OG 2.92Å; Q259-S261 PolarHBondContact O-N 3.44Å; Q259-S261 VanDerWaalsContact O-N 3.16Å; Q259-G262 PolarHBondContact O-N 3.14Å; Q259-L263 HydrophobicContact CB-CD2 4.45Å
260	P	85.7	Confident	91.6	Very high	118 Å²	118	52.9 Å²	52.9	77%	0.766	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-31.5	-173.7	-25.7	36.2	0	0	0	114.5	H258 G262	H258-P260 VanDerWaalsContact O-CD 3.27Å; H258-P260 WeakPolarHBondContact O-CD 3.32Å; P260-G262 VanDerWaalsContact C-N 3.29Å; P260-G262 PolarHBondContact O-N 2.88Å
261	S	85.6	Confident	91.7	Very high	65 Å²	65	47.3 Å²	47.3	46%	0.455	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-9.7	178.1	67.3	0	0	0	0	114.6	Q259 R535	Q259-S261 VanDerWaalsContact C-N 3.28Å; Q259-S261 WeakPolarHBondContact CG-OG 3.49Å; Q259-S261 PolarHBondContact NE2-OG 2.92Å; Q259-S261 PolarHBondContact O-N 3.44Å; Q259-S261 VanDerWaalsContact O-N 3.16Å; S261-R535 WeakPolarHBondContact O-CB 3.29Å; S261-R535 VanDerWaalsContact O-CG 3.29Å; S261-R535 WeakPolarHBondContact O-CG 3.37Å
262	G	87.8	Confident	91.8	Very high	1 Å²	1	44 Å²	44	1%	0.01	22%	0.217	C	C	.	.			trans	63.6	170	-160.8	0	0	0	0	0	113.6	Q259 P260 R535 Y536	Q259-G262 PolarHBondContact O-N 3.14Å; P260-G262 VanDerWaalsContact C-N 3.29Å; P260-G262 PolarHBondContact O-N 2.88Å; G262-R535 PolarHBondContact O-NH1 2.93Å; G262-Y536 CarbonylContact C-O 3.6Å; G262-Y536 WeakPolarHBondContact CA-O 3.34Å
263	L	89.6	Confident	91.9	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.042	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-87.3	161.9	-179.1	-58.8	179.8	0	0	0	111.9	R252 E255 A256 Q259 R535 Y536	R252-L263 HydrophobicContact CG-CD1 3.91Å; E255-L263 HydrophobicContact CB-CD1 4.1Å; E255-L263 HydrophobicContact CG-CD1 3.98Å; E255-L263 HydrophobicContact CG-CD2 3.92Å; E255-L263 WeakPolarHBondContact OE1-CD2 3.45Å; E255-L263 VanDerWaalsContact OE2-CD1 3.22Å; E255-L263 WeakPolarHBondContact OE2-CD1 3.33Å; A256-L263 HydrophobicContact CB-CD1 3.72Å; A256-L263 HydrophobicContact CB-CG 3.88Å; Q259-L263 HydrophobicContact CB-CD2 4.45Å; L263-R535 CarbonylContact O-C 3.52Å; L263-R535 WeakPolarHBondContact O-CA 3.04Å; L263-R535 VanDerWaalsContact O-CD 3.32Å; L263-R535 WeakPolarHBondContact O-CD 3.43Å; L263-Y536 PolarHBondContact N-O 2.81Å; L263-Y536 PolarHBondContact O-N 2.87Å
264	L	88.5	Confident	92	Very high	57 Å²	57	47.9 Å²	47.9	30%	0.298	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-74.2	130.1	160.7	-73.7	176.2	0	0	0	108.5	R252 P533	R252-L264 PolarHBondContact NH2-O 3.36Å; L264-P533 HydrophobicContact CD2-CB 4.19Å; L264-P533 HydrophobicContact CD2-CG 3.83Å
265	P	90.9	Very high	92.2	Very high	6 Å²	6	44.8 Å²	44.8	4%	0.039	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-57.7	160.1	179.1	-28	33.5	0	0	0	114.9	L166 D202 I228 P534	L166-P265 HydrophobicContact CD2-CG 4.49Å; D202-P265 HydrophobicContact CB-CB 4.32Å; D202-P265 VanDerWaalsContact OD2-C 3.31Å; D202-P265 WeakPolarHBondContact OD2-CA 3.49Å; I228-P265 HydrophobicContact CD1-CB 4.07Å; I228-P265 HydrophobicContact CD1-CG 4.1Å; I228-P265 WeakPolarHBondContact CG1-O 3.34Å; I228-P265 HydrophobicContact CG2-CB 4.34Å; I228-P265 VanDerWaalsContact CG2-O 3.25Å; I228-P265 WeakPolarHBondContact CG2-O 3.17Å; I228-P265 PolarHBondContact N-O 2.79Å; I228-P265 VanDerWaalsContact N-O 3.08Å; P265-P534 WeakPolarHBondContact CD-O 3.26Å; P265-P534 WeakPolarHBondContact CG-O 3.42Å
266	R	94.6	Very high	92.5	Very high	26 Å²	26	40.4 Å²	40.4	10%	0.098	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	149.5	170.2	-61.7	-179.9	73	104.1	15.3	109.7	V201 D202 C225 K226 G235 F237	V201-R266 HydrophobicContact CG2-CB 3.81Å; V201-R266 PolarHBondContact N-O 3.17Å; D202-R266 PolarHBondContact OD2-N 2.99Å; C225-R266 PolarHBondContact O-NH2 2.92Å; C225-R266 PolarHBondContact SG-NE 2.69Å; K226-R266 WeakPolarHBondContact O-CA 3.38Å; G235-R266 PolarHBondContact O-NH1 2.79Å; G235-R266 PolarHBondContact O-NH2 3.4Å; F237-R266 VanDerWaalsContact CE1-CZ 3.41Å
267	I	95.8	Very high	92.8	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	149.7	164.4	56	164.6	0	0	0	109.4	K165 L169 T198 F199 I200 C225 K226 I228	K165-I267 HydrophobicContact CB-CD1 3.93Å; L169-I267 HydrophobicContact CD2-CG2 4.07Å; T198-I267 HydrophobicContact CG2-CB 3.85Å; T198-I267 HydrophobicContact CG2-CD1 3.81Å; T198-I267 HydrophobicContact CG2-CG1 4.37Å; T198-I267 HydrophobicContact CG2-CG2 4.24Å; F199-I267 CarbonylContact O-C 2.98Å; F199-I267 VanDerWaalsContact O-CA 3.26Å; F199-I267 WeakPolarHBondContact O-CA 3.29Å; I200-I267 HydrophobicContact CG1-CG2 4.41Å; C225-I267 CarbonylContact C-O 3.58Å; C225-I267 WeakPolarHBondContact CA-O 3.46Å; K226-I267 HydrophobicContact CB-CD1 4.44Å; K226-I267 HydrophobicContact CB-CG1 4.01Å; K226-I267 PolarHBondContact N-O 3.23Å; K226-I267 PolarHBondContact O-N 3.07Å; I228-I267 HydrophobicContact CG2-CG2 4.12Å
268	I	96.6	Very high	93.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.1	162.4	-163.8	155.1	0	0	0	108.2	T198 F199 V201 Y210 W223 V239 F245	T198-I268 CarbonylContact C-O 3.57Å; T198-I268 VanDerWaalsContact CA-O 3.29Å; T198-I268 WeakPolarHBondContact CA-O 3.42Å; T198-I268 WeakPolarHBondContact CG2-O 3.27Å; F199-I268 HydrophobicContact CB-CG2 3.95Å; F199-I268 HydrophobicContact CD2-CG2 4.46Å; F199-I268 PolarHBondContact N-O 3.32Å; F199-I268 PolarHBondContact O-N 2.95Å; V201-I268 HydrophobicContact CG1-CB 3.5Å; V201-I268 VanDerWaalsContact CG1-CB 3.5Å; V201-I268 HydrophobicContact CG1-CG2 3.25Å; Y210-I268 HydrophobicContact CD1-CG2 4.41Å; Y210-I268 HydrophobicContact CD2-CG2 4.06Å; Y210-I268 HydrophobicContact CE1-CD1 3.94Å; Y210-I268 HydrophobicContact CE2-CD1 4.19Å; Y210-I268 HydrophobicContact CE2-CG2 4.28Å; Y210-I268 HydrophobicContact CG-CG2 4.13Å; W223-I268 HydrophobicContact CB-CD1 3.79Å; W223-I268 HydrophobicContact CB-CG1 3.53Å; W223-I268 HydrophobicContact CD2-CG1 4.33Å; W223-I268 HydrophobicContact CE3-CG1 4.08Å; W223-I268 HydrophobicContact CE3-CG2 4.38Å; W223-I268 HydrophobicContact CG-CD1 4.28Å; W223-I268 HydrophobicContact CG-CG1 4.11Å; V239-I268 HydrophobicContact CB-CD1 4.13Å; V239-I268 HydrophobicContact CG1-CD1 4.33Å; V239-I268 HydrophobicContact CG2-CD1 3.82Å; F245-I268 HydrophobicContact CD1-CD1 4.05Å; F245-I268 HydrophobicContact CE1-CD1 3.45Å; F245-I268 VanDerWaalsContact CE1-CD1 3.45Å; F245-I268 HydrophobicContact CE2-CD1 4.42Å; F245-I268 HydrophobicContact CZ-CD1 3.69Å
269	Q	96.3	Very high	93.4	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.014	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.2	-176.7	176.8	169.4	74.3	0	0	109.3	P196 K197 T198 W223 I224 Y271	P196-Q269 HydrophobicContact CB-CG 3.79Å; P196-Q269 HydrophobicContact CG-CG 4.49Å; K197-Q269 CarbonylContact O-C 3.56Å; K197-Q269 WeakPolarHBondContact O-CA 3.36Å; T198-Q269 HydrophobicContact CG2-CB 4.26Å; T198-Q269 WeakPolarHBondContact OG1-CG 2.9Å; T198-Q269 PolarHBondContact OG1-NE2 3.25Å; W223-Q269 CarbonylContact C-O 3.54Å; W223-Q269 WeakPolarHBondContact CA-O 3.49Å; I224-Q269 HydrophobicContact CG2-CB 4.13Å; I224-Q269 VanDerWaalsContact CG2-O 3.3Å; I224-Q269 WeakPolarHBondContact CG2-O 3.47Å; I224-Q269 PolarHBondContact N-O 2.89Å; I224-Q269 PolarHBondContact O-N 3.01Å; Q269-Y271 PolarHBondContact O-N 2.81Å
270	R	95.4	Very high	93.8	Very high	97 Å²	97	33.6 Å²	33.6	37%	0.366	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	123	177.6	-175.4	175.4	178.4	128	5.8	107.8	K197 H221 W223	K197-R270 HydrophobicContact CB-CB 4.15Å; K197-R270 PolarHBondContact O-N 2.87Å; H221-R270 PolarHBondContact CD2-NH1 3.45Å; H221-R270 PolarHBondContact CD2-NH2 2.85Å; H221-R270 PolarHBondContact CE1-NH2 2.94Å; H221-R270 VanDerWaalsContact CE1-NH2 3.34Å; H221-R270 VanDerWaalsContact NE2-CZ 3.25Å; H221-R270 PolarHBondContact NE2-NH1 2.79Å; H221-R270 PolarHBondContact NE2-NH2 2.65Å; W223-R270 HydrophobicContact CD2-CB 4.43Å; W223-R270 VanDerWaalsContact CE3-CA 3.44Å; W223-R270 HydrophobicContact CE3-CB 4.01Å; W223-R270 HydrophobicContact CH2-CB 4Å; W223-R270 HydrophobicContact CZ2-CB 4.47Å; W223-R270 HydrophobicContact CZ3-CB 3.78Å
271	Y	96.1	Very high	94.3	Very high	8 Å²	8	28.7 Å²	28.7	3%	0.031	16%	0.156	C	C	.	.			trans	-76	141.5	179.9	178.1	-81.2	0	0	0	109.1	M222 I224 L238 Q269 I273 K282 Y313 H323	M222-Y271 HydrophobicContact CE-CD1 3.39Å; M222-Y271 HydrophobicContact CE-CD2 4.49Å; M222-Y271 HydrophobicContact CE-CE1 3.41Å; M222-Y271 VanDerWaalsContact CE-CE1 3.41Å; M222-Y271 HydrophobicContact CE-CE2 4.48Å; M222-Y271 HydrophobicContact CE-CG 3.98Å; M222-Y271 HydrophobicContact CG-CD1 4.47Å; M222-Y271 HydrophobicContact CG-CG 4.35Å; M222-Y271 VanDerWaalsContact O-CB 3.28Å; M222-Y271 WeakPolarHBondContact O-CB 3.35Å; M222-Y271 PolarHBondContact O-N 3.27Å; I224-Y271 HydrophobicContact CB-CD2 4.17Å; I224-Y271 HydrophobicContact CD1-CD2 4.34Å; I224-Y271 HydrophobicContact CG2-CD2 4.34Å; L238-Y271 HydrophobicContact CD2-CD2 3.62Å; L238-Y271 HydrophobicContact CD2-CE2 3.9Å; L238-Y271 HydrophobicContact CD2-CG 4.44Å; Q269-Y271 PolarHBondContact O-N 2.81Å; Y271-I273 HydrophobicContact CD1-CG1 4.1Å; Y271-I273 PolarHBondContact O-N 2.88Å; Y271-K282 PolarHBondContact OH-NZ 2.94Å; Y271-Y313 WeakPolarHBondContact CE1-OH 3.38Å; Y271-Y313 WeakPolarHBondContact OH-CE2 3.33Å; Y271-Y313 PolarHBondContact OH-OH 3.29Å; Y271-H323 HydrophobicContact CE2-CB 4.33Å; Y271-H323 AromaticContact CE2-ND1 3.93Å; Y271-H323 AromaticContact CZ-ND1 3.51Å; Y271-H323 PolarHBondContact OH-ND1 2.87Å
272	I	95.2	Very high	94.9	Very high	20 Å²	20	25.9 Å²	25.9	10%	0.103	14%	0.136	C	C	.	.			trans	-79.9	90.4	176.4	-60.1	166.9	0	0	0	107.2	P196 N274 P275 M407 D409 W415 L417	P196-I272 HydrophobicContact CG-CD1 4.16Å; P196-I272 HydrophobicContact CG-CG1 4.35Å; I272-N274 VanDerWaalsContact C-N 3.33Å; I272-N274 PolarHBondContact O-N 2.97Å; I272-P275 WeakPolarHBondContact O-CD 3.33Å; I272-M407 HydrophobicContact CB-SD 4.28Å; I272-M407 HydrophobicContact CD1-CB 3.9Å; I272-M407 HydrophobicContact CD1-CG 3.98Å; I272-M407 HydrophobicContact CD1-SD 3.93Å; I272-D409 HydrophobicContact CG2-CB 3.95Å; I272-W415 HydrophobicContact CD1-CB 3.61Å; I272-W415 HydrophobicContact CD1-CD2 4.45Å; I272-W415 HydrophobicContact CD1-CG 3.65Å; I272-W415 HydrophobicContact CG1-CG 4.44Å; I272-L417 HydrophobicContact CD1-CD2 4.03Å
273	I	94.3	Very high	95.3	Very high	50 Å²	50	25.9 Å²	25.9	26%	0.256	14%	0.136	S	C	.	.	S	Bend	trans	-61.8	-40	-172.4	-60	178.3	0	0	0	111.3	M222 Y271 P275 Y313 N315	M222-I273 HydrophobicContact CB-CD1 4.25Å; M222-I273 HydrophobicContact CB-CG1 4.27Å; Y271-I273 HydrophobicContact CD1-CG1 4.1Å; Y271-I273 PolarHBondContact O-N 2.88Å; I273-P275 VanDerWaalsContact C-CD 3.42Å; I273-P275 WeakPolarHBondContact O-CD 3.37Å; I273-Y313 WeakPolarHBondContact O-CE1 3.1Å; I273-Y313 PolarHBondContact O-OH 3.35Å; I273-N315 WeakPolarHBondContact CG2-ND2 3.35Å; I273-N315 WeakPolarHBondContact CG2-OD1 3.31Å; I273-N315 PolarHBondContact O-ND2 3.24Å; I273-N315 PolarHBondContact O-OD1 2.96Å
274	N	95.4	Very high	95.7	Very high	69 Å²	69	25.6 Å²	25.6	37%	0.369	13%	0.134	S	C	.	.	S	Bend	trans	-113.3	75.5	179.7	-59.1	-12.9	0	0	0	110.7	I272 D409 E410	I272-N274 VanDerWaalsContact C-N 3.33Å; I272-N274 PolarHBondContact O-N 2.97Å; N274-D409 WeakPolarHBondContact O-CA 3.48Å; N274-D409 WeakPolarHBondContact O-CB 3.46Å; N274-E410 HydrophobicContact CB-CB 4.29Å; N274-E410 HydrophobicContact CB-CG 4Å; N274-E410 VanDerWaalsContact CB-OE1 3.27Å; N274-E410 WeakPolarHBondContact CB-OE1 3.41Å; N274-E410 WeakPolarHBondContact CB-OE2 3.42Å; N274-E410 VanDerWaalsContact ND2-CD 3.32Å; N274-E410 PolarHBondContact ND2-OE1 3.36Å; N274-E410 PolarHBondContact ND2-OE2 2.88Å; N274-E410 PolarHBondContact O-N 3.5Å
275	P	97.2	Very high	96.2	Very high	7 Å²	7	23 Å²	23	5%	0.045	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-68.4	153.3	171	32.6	-34	0	0	0	109.7	I272 I273 L277 K282 Y313 M407	I272-P275 WeakPolarHBondContact O-CD 3.33Å; I273-P275 VanDerWaalsContact C-CD 3.42Å; I273-P275 WeakPolarHBondContact O-CD 3.37Å; P275-L277 HydrophobicContact CG-CD2 4.01Å; P275-K282 HydrophobicContact CB-CG 4.24Å; P275-K282 HydrophobicContact CG-CB 4.49Å; P275-K282 HydrophobicContact CG-CD 4.18Å; P275-K282 HydrophobicContact CG-CG 4Å; P275-Y313 HydrophobicContact CG-CD1 4Å; P275-Y313 HydrophobicContact CG-CE1 3.88Å; P275-Y313 HydrophobicContact CG-CG 4.41Å; P275-M407 HydrophobicContact CB-SD 4.34Å
276	L	97.8	Very high	96.5	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	12%	0.121	C	C	.	.			trans	-65.5	144.2	165	-162.7	73.4	0	0	0	109	F283 I354 Y358 L408 M412	L276-F283 HydrophobicContact CB-CE1 3.94Å; L276-F283 HydrophobicContact CB-CZ 4.39Å; L276-F283 HydrophobicContact CD2-CE1 4.37Å; L276-F283 HydrophobicContact CD2-CZ 4.41Å; L276-F283 HydrophobicContact CG-CE1 4.36Å; L276-F283 VanDerWaalsContact O-CD1 3.24Å; L276-F283 WeakPolarHBondContact O-CD1 3.17Å; L276-F283 VanDerWaalsContact O-CE1 3.23Å; L276-F283 WeakPolarHBondContact O-CE1 3.46Å; L276-I354 HydrophobicContact CD2-CD1 3.58Å; L276-Y358 HydrophobicContact CD1-CD1 4.27Å; L276-Y358 HydrophobicContact CD1-CD2 4.17Å; L276-Y358 HydrophobicContact CD1-CE1 3.9Å; L276-Y358 HydrophobicContact CD1-CE2 3.73Å; L276-Y358 HydrophobicContact CD1-CG 4.41Å; L276-Y358 HydrophobicContact CD2-CD2 4.08Å; L276-Y358 HydrophobicContact CD2-CE2 4.01Å; L276-Y358 HydrophobicContact CG-CD2 4.32Å; L276-Y358 HydrophobicContact CG-CE2 3.8Å; L276-L408 HydrophobicContact CB-CB 4.33Å; L276-L408 HydrophobicContact CB-CG 4.21Å; L276-L408 HydrophobicContact CD2-CD2 3.59Å; L276-L408 HydrophobicContact CD2-CG 4.11Å; L276-L408 PolarHBondContact N-O 3.29Å; L276-M412 HydrophobicContact CD1-SD 4.07Å; L276-M412 HydrophobicContact CD2-CE 4.07Å; L276-M412 HydrophobicContact CD2-SD 3.92Å
277	L	97.8	Very high	96.7	Very high	41 Å²	41	22 Å²	22	22%	0.215	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.9	-173.4	-57.3	179.1	0	0	0	111.5	P275 C281 K282 Y313 Y358	P275-L277 HydrophobicContact CG-CD2 4.01Å; L277-C281 WeakPolarHBondContact CA-O 3.33Å; L277-K282 HydrophobicContact CD2-CB 4.31Å; L277-Y313 HydrophobicContact CD2-CD1 4Å; L277-Y313 HydrophobicContact CD2-CG 3.96Å; L277-Y358 WeakPolarHBondContact O-CE2 3.49Å; L277-Y358 PolarHBondContact O-OH 2.74Å
278	L	97.2	Very high	96.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.8	172.4	-59.9	172.3	0	0	0	106.9	G280 C281 F283 I306 R308 W345 V350 Y353	L278-G280 PolarHBondContact O-N 3.4Å; L278-C281 PolarHBondContact N-O 2.89Å; L278-C281 WeakPolarHBondContact O-CB 3.32Å; L278-C281 PolarHBondContact O-N 2.87Å; L278-F283 HydrophobicContact CD1-CB 4.04Å; L278-F283 HydrophobicContact CD1-CD1 3.63Å; L278-F283 HydrophobicContact CD1-CD2 4.18Å; L278-F283 HydrophobicContact CD1-CE1 4.01Å; L278-F283 HydrophobicContact CD1-CG 3.69Å; L278-F283 HydrophobicContact CD1-CZ 4.44Å; L278-F283 HydrophobicContact CD2-CE1 4.24Å; L278-F283 HydrophobicContact CG-CD1 3.55Å; L278-F283 HydrophobicContact CG-CE1 3.76Å; L278-F283 HydrophobicContact CG-CG 4.15Å; L278-I306 HydrophobicContact CD1-CG2 4.15Å; L278-R308 HydrophobicContact CD1-CG 4.29Å; L278-R308 PolarHBondContact O-NH2 3.29Å; L278-W345 HydrophobicContact CB-CH2 4.32Å; L278-W345 HydrophobicContact CB-CZ3 4.1Å; L278-W345 HydrophobicContact CD1-CE3 3.95Å; L278-W345 HydrophobicContact CD1-CZ3 4.14Å; L278-W345 HydrophobicContact CD2-CZ3 4.22Å; L278-W345 HydrophobicContact CG-CZ3 4.38Å; L278-V350 HydrophobicContact CD1-CG2 3.89Å; L278-Y353 HydrophobicContact CD2-CD1 3.36Å; L278-Y353 HydrophobicContact CD2-CE1 3.61Å; L278-Y353 HydrophobicContact CD2-CG 4.02Å
279	D	95.7	Very high	96.9	Very high	92 Å²	92	22 Å²	22	49%	0.492	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	45.7	-165.6	-42.1	-52.7	0	0	0	112.6	C281 R308 W345 Y353	D279-C281 PolarHBondContact O-N 2.87Å; D279-C281 PolarHBondContact O-SG 3.44Å; D279-R308 VanDerWaalsContact CB-NH2 3.34Å; D279-R308 IonicContact OD2-CZ 2.66Å; D279-R308 IonicContact OD2-NH1 3.31Å; D279-R308 IonicContact OD2-NH2 3.67Å; D279-R308 PolarHBondContact OD2-NH2 2.79Å; D279-W345 WeakPolarHBondContact OD2-CZ2 3.35Å; D279-Y353 PolarHBondContact N-OH 3.14Å; D279-Y353 VanDerWaalsContact OD1-CE2 3.31Å; D279-Y353 WeakPolarHBondContact OD1-CE2 3.05Å
280	G	96.1	Very high	97	Very high	31 Å²	31	21.9 Å²	21.9	32%	0.32	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	-6.3	-175.8	0	0	0	0	0	115.5	L278 Y313	L278-G280 PolarHBondContact O-N 3.4Å; G280-Y313 WeakPolarHBondContact O-CB 3.44Å; G280-Y313 PolarHBondContact O-N 2.88Å
281	C	96.3	Very high	97.1	Very high	14 Å²	14	17.2 Å²	17.2	10%	0.095	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	138.7	180	-56.8	0	0	0	0	110.9	L277 L278 D279	L277-C281 WeakPolarHBondContact CA-O 3.33Å; L278-C281 PolarHBondContact N-O 2.89Å; L278-C281 WeakPolarHBondContact O-CB 3.32Å; L278-C281 PolarHBondContact O-N 2.87Å; D279-C281 PolarHBondContact O-N 2.87Å; D279-C281 PolarHBondContact O-SG 3.44Å
282	K	97.5	Very high	97.2	Very high	7 Å²	7	17 Å²	17	3%	0.03	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	143.3	175.3	178	178	179.7	-174.9	0	110.6	Y271 P275 L277 R308 S309 Y313 H323 T325 M407	Y271-K282 PolarHBondContact OH-NZ 2.94Å; P275-K282 HydrophobicContact CB-CG 4.24Å; P275-K282 HydrophobicContact CG-CB 4.49Å; P275-K282 HydrophobicContact CG-CD 4.18Å; P275-K282 HydrophobicContact CG-CG 4Å; L277-K282 HydrophobicContact CD2-CB 4.31Å; K282-R308 CarbonylContact O-C 3.59Å; K282-R308 WeakPolarHBondContact O-CA 3.38Å; K282-S309 PolarHBondContact N-OG 3.46Å; K282-S309 PolarHBondContact O-N 2.96Å; K282-S309 PolarHBondContact O-OG 3.06Å; K282-Y313 HydrophobicContact CB-CD2 3.71Å; K282-Y313 HydrophobicContact CB-CG 4.02Å; K282-Y313 HydrophobicContact CD-CD2 3.86Å; K282-Y313 HydrophobicContact CD-CE2 3.84Å; K282-Y313 HydrophobicContact CG-CD2 4.32Å; K282-H323 PolarHBondContact NZ-O 3.04Å; K282-T325 HydrophobicContact CG-CG2 4.26Å; K282-T325 WeakPolarHBondContact O-CG2 3.32Å; K282-M407 HydrophobicContact CD-CE 4.5Å; K282-M407 VanDerWaalsContact CE-SD 3.57Å; K282-M407 HydrophobicContact CG-CE 4.47Å
283	F	97.7	Very high	97.3	Very high	1 Å²	1	16.2 Å²	16.2	0%	0.004	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	162.5	176.8	78.1	-86.6	0	0	0	114.5	L276 L278 I285 I306 R307 R308 M407 L408	L276-F283 HydrophobicContact CB-CE1 3.94Å; L276-F283 HydrophobicContact CB-CZ 4.39Å; L276-F283 HydrophobicContact CD2-CE1 4.37Å; L276-F283 HydrophobicContact CD2-CZ 4.41Å; L276-F283 HydrophobicContact CG-CE1 4.36Å; L276-F283 VanDerWaalsContact O-CD1 3.24Å; L276-F283 WeakPolarHBondContact O-CD1 3.17Å; L276-F283 VanDerWaalsContact O-CE1 3.23Å; L276-F283 WeakPolarHBondContact O-CE1 3.46Å; L278-F283 HydrophobicContact CD1-CB 4.04Å; L278-F283 HydrophobicContact CD1-CD1 3.63Å; L278-F283 HydrophobicContact CD1-CD2 4.18Å; L278-F283 HydrophobicContact CD1-CE1 4.01Å; L278-F283 HydrophobicContact CD1-CG 3.69Å; L278-F283 HydrophobicContact CD1-CZ 4.44Å; L278-F283 HydrophobicContact CD2-CE1 4.24Å; L278-F283 HydrophobicContact CG-CD1 3.55Å; L278-F283 HydrophobicContact CG-CE1 3.76Å; L278-F283 HydrophobicContact CG-CG 4.15Å; F283-I285 HydrophobicContact CD2-CG1 4.32Å; F283-I285 HydrophobicContact CE2-CD1 4.33Å; F283-I285 HydrophobicContact CE2-CG1 4Å; F283-I306 HydrophobicContact CB-CG2 3.97Å; F283-I306 HydrophobicContact CD2-CG2 3.67Å; F283-I306 HydrophobicContact CG-CG2 4.13Å; F283-R307 CarbonylContact C-O 3.59Å; F283-R307 WeakPolarHBondContact CA-O 3.46Å; F283-R307 WeakPolarHBondContact CB-O 3.31Å; F283-R308 HydrophobicContact CB-CG 3.95Å; F283-M407 VanDerWaalsContact O-CE 3.31Å; F283-M407 WeakPolarHBondContact O-CE 3.47Å; F283-L408 HydrophobicContact CE2-CB 4.39Å; F283-L408 HydrophobicContact CZ-CB 3.96Å; F283-L408 HydrophobicContact CZ-CD2 4.22Å
284	D	97.9	Very high	97.3	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.011	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	166.5	161.8	70.5	44.2	0	0	0	111.2	I306 R307 T325 F406 M407	D284-I306 CarbonylContact O-C 3.56Å; D284-I306 WeakPolarHBondContact O-CA 3.32Å; D284-I306 WeakPolarHBondContact O-CG2 3.26Å; D284-R307 PolarHBondContact N-O 2.8Å; D284-R307 PolarHBondContact O-N 2.6Å; D284-R307 WeakPolarHBondContact OD1-CB 3.48Å; D284-R307 IonicContact OD1-CZ 3.61Å; D284-R307 IonicContact OD1-NE 2.69Å; D284-R307 PolarHBondContact OD1-NE 3.07Å; D284-R307 IonicContact OD1-NH2 2.66Å; D284-R307 PolarHBondContact OD1-NH2 3.35Å; D284-R307 VanDerWaalsContact OD1-NH2 3.08Å; D284-R307 IonicContact OD2-CZ 2.66Å; D284-R307 IonicContact OD2-NE 3.78Å; D284-R307 PolarHBondContact OD2-NE 2.79Å; D284-R307 IonicContact OD2-NH2 3.91Å; D284-R307 PolarHBondContact OD2-NH2 2.87Å; D284-T325 WeakPolarHBondContact OD2-CB 3.25Å; D284-T325 PolarHBondContact OD2-OG1 2.77Å; D284-F406 CarbonylContact C-O 3.58Å; D284-F406 WeakPolarHBondContact CA-O 3.05Å; D284-F406 VanDerWaalsContact CB-O 3.3Å; D284-F406 WeakPolarHBondContact CB-O 2.95Å; D284-M407 HydrophobicContact CB-CE 3.94Å
285	I	98.2	Very high	97.2	Very high	2 Å²	2	11 Å²	11	1%	0.01	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.8	-176.9	-57.2	172	0	0	0	107.6	F283 I306 W347 L373 I377 D405 F406	F283-I285 HydrophobicContact CD2-CG1 4.32Å; F283-I285 HydrophobicContact CE2-CD1 4.33Å; F283-I285 HydrophobicContact CE2-CG1 4Å; I285-I306 HydrophobicContact CG1-CG1 4.04Å; I285-W347 HydrophobicContact CD1-CH2 4.34Å; I285-W347 HydrophobicContact CG2-CH2 4.07Å; I285-W347 HydrophobicContact CG2-CZ2 3.42Å; I285-W347 VanDerWaalsContact CG2-CZ2 3.42Å; I285-L373 HydrophobicContact CD1-CD1 4.46Å; I285-L373 HydrophobicContact CD1-CD2 3.93Å; I285-I377 HydrophobicContact CD1-CD1 4.09Å; I285-I377 HydrophobicContact CG2-CD1 4.34Å; I285-D405 WeakPolarHBondContact O-CA 3.24Å; I285-F406 HydrophobicContact CB-CB 4.22Å; I285-F406 PolarHBondContact N-O 3.29Å; I285-F406 PolarHBondContact O-N 3.43Å
286	R	98	Very high	97	Very high	10 Å²	10	12 Å²	12	4%	0.038	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	102.9	169.7	167.7	52.4	66.7	74.1	-7.3	108.8	Y288 G304 Y305 L404 D405	R286-Y288 HydrophobicContact CG-CE2 4.4Å; R286-G304 CarbonylContact O-C 3.49Å; R286-G304 WeakPolarHBondContact O-CA 3.5Å; R286-Y305 CarbonylContact C-O 3.57Å; R286-Y305 WeakPolarHBondContact CA-O 3.29Å; R286-Y305 HydrophobicContact CB-CD2 4.17Å; R286-Y305 HydrophobicContact CB-CE1 4.44Å; R286-Y305 HydrophobicContact CB-CE2 3.89Å; R286-Y305 HydrophobicContact CG-CD1 4.4Å; R286-Y305 HydrophobicContact CG-CE1 3.81Å; R286-Y305 HydrophobicContact CG-CE2 4Å; R286-Y305 PolarHBondContact N-O 3.17Å; R286-Y305 PolarHBondContact O-N 3.17Å; R286-Y305 VanDerWaalsContact O-O 3.13Å; R286-L404 WeakPolarHBondContact CA-O 3.33Å; R286-D405 IonicContact CZ-OD1 2.95Å; R286-D405 IonicContact CZ-OD2 3.89Å; R286-D405 IonicContact NE-OD1 2.68Å; R286-D405 PolarHBondContact NE-OD1 3.35Å; R286-D405 IonicContact NE-OD2 3.87Å; R286-D405 VanDerWaalsContact NH2-CG 3.3Å; R286-D405 IonicContact NH2-OD1 3.26Å; R286-D405 PolarHBondContact NH2-OD1 3.03Å; R286-D405 IonicContact NH2-OD2 2.97Å; R286-D405 PolarHBondContact NH2-OD2 3.04Å
287	C	97.8	Very high	97	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	164.8	167.3	61.5	0	0	0	0	111.2	Y301 H302 P303 G403 L404	C287-Y301 HydrophobicContact CB-CD2 4.4Å; C287-Y301 HydrophobicContact CB-CE2 3.6Å; C287-H302 WeakPolarHBondContact CB-O 3.33Å; C287-P303 WeakPolarHBondContact CA-O 3.41Å; C287-P303 WeakPolarHBondContact CB-O 3.45Å; C287-G403 CarbonylContact O-C 3.12Å; C287-G403 WeakPolarHBondContact O-CA 3.31Å; C287-L404 PolarHBondContact N-O 2.84Å; C287-L404 VanDerWaalsContact N-O 3.08Å; C287-L404 PolarHBondContact O-N 3.36Å
288	Y	98.5	Very high	96.9	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.4	179	-68.5	-91.7	0	0	0	110.8	R286 H302 Y305 L401 L402 P423 V439	R286-Y288 HydrophobicContact CG-CE2 4.4Å; Y288-H302 PolarHBondContact N-O 2.97Å; Y288-H302 PolarHBondContact O-N 2.76Å; Y288-Y305 HydrophobicContact CE2-CD1 4.3Å; Y288-Y305 AromaticContact CE2-CE1 3.97Å; Y288-Y305 HydrophobicContact CE2-CE1 3.97Å; Y288-Y305 WeakPolarHBondContact OH-CE1 3.27Å; Y288-L401 HydrophobicContact CD1-CD1 4.1Å; Y288-L401 HydrophobicContact CD1-CG 4.32Å; Y288-L402 WeakPolarHBondContact CA-O 3.24Å; Y288-P423 HydrophobicContact CD1-CB 4.45Å; Y288-P423 HydrophobicContact CD1-CG 4.08Å; Y288-P423 HydrophobicContact CE1-CB 3.96Å; Y288-P423 HydrophobicContact CE1-CG 3.83Å; Y288-V439 HydrophobicContact CD1-CG1 3.92Å; Y288-V439 HydrophobicContact CD2-CG1 3.99Å; Y288-V439 HydrophobicContact CD2-CG2 4.33Å; Y288-V439 HydrophobicContact CE1-CG1 4.19Å; Y288-V439 HydrophobicContact CE2-CG1 4.27Å; Y288-V439 HydrophobicContact CG-CG1 3.8Å
289	V	98.5	Very high	97	Very high	4 Å²	4	9.9 Å²	9.9	2%	0.024	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.6	174.2	174.6	0	0	0	0	108.4	V299 F300 I381 L402 L404	V289-V299 HydrophobicContact CG1-CG1 3.64Å; V289-F300 CarbonylContact C-O 3.59Å; V289-F300 VanDerWaalsContact CA-O 3.3Å; V289-F300 WeakPolarHBondContact CA-O 3.36Å; V289-I381 HydrophobicContact CG1-CG2 4.36Å; V289-I381 HydrophobicContact CG2-CD1 3.88Å; V289-I381 HydrophobicContact CG2-CG2 3.53Å; V289-L402 HydrophobicContact CB-CB 4.29Å; V289-L402 PolarHBondContact N-O 3.41Å; V289-L402 PolarHBondContact O-N 2.84Å; V289-L404 HydrophobicContact CB-CD1 3.9Å; V289-L404 HydrophobicContact CG2-CD1 3.61Å; V289-L404 HydrophobicContact CG2-CD2 4.2Å
290	L	98.5	Very high	97.1	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.2	177.1	176.9	65.5	0	0	0	109	A292 V299 F300 F399 L401 A443 I446 W505	L290-A292 HydrophobicContact CD2-CB 4.03Å; L290-A292 HydrophobicContact CG-CB 4Å; L290-A292 PolarHBondContact O-N 2.93Å; L290-V299 CarbonylContact O-C 3.59Å; L290-V299 VanDerWaalsContact O-CA 3.27Å; L290-V299 WeakPolarHBondContact O-CA 3.41Å; L290-F300 HydrophobicContact CD2-CD2 4.46Å; L290-F300 PolarHBondContact N-O 3.19Å; L290-F300 PolarHBondContact O-N 2.65Å; L290-F399 HydrophobicContact CD1-CD2 4.15Å; L290-L401 HydrophobicContact CB-CD1 4.38Å; L290-L401 HydrophobicContact CD1-CB 4.42Å; L290-L401 HydrophobicContact CD1-CD1 4.49Å; L290-A443 HydrophobicContact CD1-CB 4.04Å; L290-A443 HydrophobicContact CD2-CB 3.99Å; L290-I446 HydrophobicContact CD2-CB 4.01Å; L290-I446 HydrophobicContact CD2-CD1 4.17Å; L290-I446 HydrophobicContact CD2-CG2 3.99Å; L290-W505 HydrophobicContact CB-CE3 4.45Å; L290-W505 HydrophobicContact CB-CH2 3.84Å; L290-W505 HydrophobicContact CB-CZ3 3.52Å; L290-W505 HydrophobicContact CD2-CH2 4.35Å; L290-W505 HydrophobicContact CD2-CZ3 4.41Å
291	I	98.2	Very high	97.1	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	91.2	161.9	-57.5	169.4	0	0	0	105.4	I156 T294 Y297 V299 F385 F399 E400 L402	I156-I291 HydrophobicContact CD1-CB 3.89Å; I156-I291 HydrophobicContact CD1-CD1 3.85Å; I156-I291 HydrophobicContact CD1-CG1 4.48Å; I156-I291 HydrophobicContact CD1-CG2 3.63Å; I291-T294 HydrophobicContact CG2-CG2 3.95Å; I291-Y297 HydrophobicContact CG2-CD1 4.08Å; I291-Y297 HydrophobicContact CG2-CE1 4.3Å; I291-V299 HydrophobicContact CG1-CG1 4.16Å; I291-V299 HydrophobicContact CG1-CG2 4.24Å; I291-V299 HydrophobicContact CG2-CG2 4.44Å; I291-F385 HydrophobicContact CD1-CD2 4.21Å; I291-F385 HydrophobicContact CD1-CE2 3.94Å; I291-F385 HydrophobicContact CG1-CE2 4.25Å; I291-F399 CarbonylContact O-C 3.57Å; I291-F399 WeakPolarHBondContact O-CA 3.26Å; I291-F399 WeakPolarHBondContact O-CB 3.32Å; I291-E400 PolarHBondContact N-O 2.89Å; I291-E400 PolarHBondContact O-N 2.85Å; I291-L402 HydrophobicContact CD1-CD1 4.33Å
292	A	97.7	Very high	97.2	Very high	3 Å²	3	4.3 Å²	4.3	3%	0.025	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-33.3	-171.2	0	0	0	0	0	112.7	L290 L298 F300 I446 S447	L290-A292 HydrophobicContact CD2-CB 4.03Å; L290-A292 HydrophobicContact CG-CB 4Å; L290-A292 PolarHBondContact O-N 2.93Å; A292-L298 PolarHBondContact N-O 2.87Å; A292-F300 HydrophobicContact CB-CD2 3.98Å; A292-F300 HydrophobicContact CB-CE2 3.85Å; A292-I446 HydrophobicContact CB-CG2 3.73Å; A292-S447 PolarHBondContact O-OG 3.49Å
293	C	96.5	Very high	97.2	Very high	3 Å²	3	4.8 Å²	4.8	2%	0.02	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.7	172.2	-164.3	0	0	0	0	109.6	M295 P296 Y297 L298 C450 L460	C293-M295 PolarHBondContact SG-N 3.25Å; C293-M295 VanDerWaalsContact SG-N 3.38Å; C293-M295 PolarHBondContact SG-O 3.36Å; C293-M295 VanDerWaalsContact SG-O 3.35Å; C293-P296 CarbonylContact C-O 3.48Å; C293-P296 WeakPolarHBondContact CB-O 3.37Å; C293-Y297 WeakPolarHBondContact O-CA 2.99Å; C293-L298 HydrophobicContact CB-CB 4.36Å; C293-L298 PolarHBondContact N-O 3.17Å; C293-L298 PolarHBondContact O-N 2.9Å; C293-L298 VanDerWaalsContact O-N 3.1Å; C293-C450 HydrophobicContact CB-CB 4.22Å; C293-L460 HydrophobicContact CB-CD1 3.89Å
294	T	95.5	Very high	97.1	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	-8.9	171.6	64.9	0	0	0	0	113.5	I156 I291 P296 Y297 A394 K395 F398 R519	I156-T294 HydrophobicContact CD1-CG2 3.64Å; I156-T294 HydrophobicContact CG1-CG2 4.02Å; I291-T294 HydrophobicContact CG2-CG2 3.95Å; T294-P296 VanDerWaalsContact C-C 3.42Å; T294-P296 CarbonylContact C-O 3.47Å; T294-Y297 HydrophobicContact CG2-CD1 4.2Å; T294-Y297 HydrophobicContact CG2-CE1 3.82Å; T294-A394 VanDerWaalsContact CB-CB 3.47Å; T294-A394 WeakPolarHBondContact O-CB 3.26Å; T294-A394 VanDerWaalsContact OG1-CA 3.29Å; T294-A394 WeakPolarHBondContact OG1-CA 3.15Å; T294-A394 WeakPolarHBondContact OG1-CB 3.46Å; T294-K395 PolarHBondContact OG1-N 3.38Å; T294-K395 PolarHBondContact OG1-O 3.35Å; T294-F398 HydrophobicContact CG2-CB 4.12Å; T294-R519 PolarHBondContact O-NH2 3.08Å
295	M	92.8	Very high	97.1	Very high	11 Å²	11	5.3 Å²	5.3	5%	0.054	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.9	89.7	-176.1	-70.9	-77.9	85.6	0	0	112.5	C293 A394 V396 S454 F516 W520 L523	C293-M295 PolarHBondContact SG-N 3.25Å; C293-M295 VanDerWaalsContact SG-N 3.38Å; C293-M295 PolarHBondContact SG-O 3.36Å; C293-M295 VanDerWaalsContact SG-O 3.35Å; M295-A394 HydrophobicContact CE-CB 3.79Å; M295-A394 HydrophobicContact CG-CB 4.15Å; M295-A394 HydrophobicContact SD-CB 4.33Å; M295-V396 HydrophobicContact CB-CG2 4.06Å; M295-S454 PolarHBondContact O-OG 2.88Å; M295-F516 HydrophobicContact CE-CD2 3.75Å; M295-F516 HydrophobicContact CE-CE2 3.29Å; M295-F516 HydrophobicContact CE-CZ 4.28Å; M295-F516 HydrophobicContact SD-CE2 3.69Å; M295-F516 HydrophobicContact SD-CZ 4.19Å; M295-W520 HydrophobicContact SD-CE3 4.42Å; M295-W520 HydrophobicContact SD-CZ3 3.79Å; M295-L523 HydrophobicContact CE-CD2 3.28Å; M295-L523 HydrophobicContact SD-CD2 3.42Å; M295-L523 WeakPolarHBondContact SD-CD2 3.34Å
296	P	93.6	Very high	97.1	Very high	28 Å²	28	5.3 Å²	5.3	18%	0.182	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	cis	-67.7	172	-16.3	32.7	-37.4	0	0	0	111.7	C293 T294 L298 L460 E511 F516	C293-P296 CarbonylContact C-O 3.48Å; C293-P296 WeakPolarHBondContact CB-O 3.37Å; T294-P296 VanDerWaalsContact C-C 3.42Å; T294-P296 CarbonylContact C-O 3.47Å; P296-L298 PolarHBondContact O-N 2.67Å; P296-L460 HydrophobicContact CG-CD1 3.93Å; P296-L460 HydrophobicContact CG-CG 4.48Å; P296-E511 HydrophobicContact CB-CB 4.2Å; P296-F516 HydrophobicContact CB-CB 4.1Å; P296-F516 HydrophobicContact CB-CD1 3.95Å; P296-F516 HydrophobicContact CB-CG 3.96Å
297	Y	96.1	Very high	97.1	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	129.6	175.3	-79.7	-62.3	0	0	0	112	I291 C293 T294 F385 K389 E511 R519	I291-Y297 HydrophobicContact CG2-CD1 4.08Å; I291-Y297 HydrophobicContact CG2-CE1 4.3Å; C293-Y297 WeakPolarHBondContact O-CA 2.99Å; T294-Y297 HydrophobicContact CG2-CD1 4.2Å; T294-Y297 HydrophobicContact CG2-CE1 3.82Å; Y297-F385 HydrophobicContact CD1-CE2 4.31Å; Y297-F385 AromaticContact CD1-CZ 3.77Å; Y297-F385 HydrophobicContact CD1-CZ 3.77Å; Y297-F385 HydrophobicContact CD2-CZ 4.04Å; Y297-F385 HydrophobicContact CE1-CE2 4.24Å; Y297-F385 AromaticContact CE1-CZ 3.99Å; Y297-F385 HydrophobicContact CE1-CZ 3.99Å; Y297-F385 HydrophobicContact CE2-CZ 4.23Å; Y297-F385 AromaticContact CG-CZ 3.82Å; Y297-F385 HydrophobicContact CG-CZ 3.82Å; Y297-K389 HydrophobicContact CD2-CB 4.47Å; Y297-K389 HydrophobicContact CE2-CB 3.91Å; Y297-K389 VanDerWaalsContact CE2-O 3.28Å; Y297-K389 WeakPolarHBondContact CE2-O 3.45Å; Y297-K389 PolarHBondContact OH-O 2.95Å; Y297-E511 PolarHBondContact N-OE2 2.92Å; Y297-E511 WeakPolarHBondContact O-CB 3.44Å; Y297-E511 PolarHBondContact O-N 2.87Å; Y297-R519 VanDerWaalsContact CD2-CZ 3.41Å; Y297-R519 VanDerWaalsContact CD2-NH2 3.25Å
298	L	97.2	Very high	97	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	123	165.5	-169.9	67.8	0	0	0	108.9	A292 C293 P296 F300 L460 L461 L507 N510	A292-L298 PolarHBondContact N-O 2.87Å; C293-L298 HydrophobicContact CB-CB 4.36Å; C293-L298 PolarHBondContact N-O 3.17Å; C293-L298 PolarHBondContact O-N 2.9Å; C293-L298 VanDerWaalsContact O-N 3.1Å; P296-L298 PolarHBondContact O-N 2.67Å; L298-F300 HydrophobicContact CD1-CZ 4.37Å; L298-F300 HydrophobicContact CD2-CE2 3.64Å; L298-F300 HydrophobicContact CD2-CZ 3.64Å; L298-F300 HydrophobicContact CG-CE2 3.67Å; L298-F300 HydrophobicContact CG-CZ 3.84Å; L298-L460 HydrophobicContact CB-CD1 3.8Å; L298-L460 HydrophobicContact CD2-CB 3.87Å; L298-L460 HydrophobicContact CD2-CD1 4.12Å; L298-L461 HydrophobicContact CD1-CD1 4.13Å; L298-L461 HydrophobicContact CD1-CD2 4.48Å; L298-L461 HydrophobicContact CD1-CG 4.24Å; L298-L461 HydrophobicContact CD2-CD2 4.08Å; L298-L461 HydrophobicContact CD2-CG 4.37Å; L298-L507 HydrophobicContact CD1-CD1 3.55Å; L298-L507 HydrophobicContact CG-CD1 4.43Å; L298-N510 HydrophobicContact CD1-CB 3.86Å
299	V	97.9	Very high	96.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.4	-171.8	-168.1	0	0	0	0	110.3	V289 L290 I291 F385 L508 Y509	V289-V299 HydrophobicContact CG1-CG1 3.64Å; L290-V299 CarbonylContact O-C 3.59Å; L290-V299 VanDerWaalsContact O-CA 3.27Å; L290-V299 WeakPolarHBondContact O-CA 3.41Å; I291-V299 HydrophobicContact CG1-CG1 4.16Å; I291-V299 HydrophobicContact CG1-CG2 4.24Å; I291-V299 HydrophobicContact CG2-CG2 4.44Å; V299-F385 HydrophobicContact CG2-CD2 4.46Å; V299-F385 HydrophobicContact CG2-CE1 3.99Å; V299-F385 HydrophobicContact CG2-CE2 3.94Å; V299-F385 HydrophobicContact CG2-CZ 3.69Å; V299-L508 HydrophobicContact CG1-CB 4.5Å; V299-L508 HydrophobicContact CG1-CD2 4.16Å; V299-L508 WeakPolarHBondContact O-CA 3.35Å; V299-L508 WeakPolarHBondContact O-CB 3.33Å; V299-L508 PolarHBondContact O-N 3.35Å; V299-Y509 HydrophobicContact CG2-CD1 4.43Å; V299-Y509 PolarHBondContact N-O 2.77Å; V299-Y509 PolarHBondContact O-N 3.1Å; V299-Y509 VanDerWaalsContact O-N 3.07Å
300	F	98	Very high	96.4	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	153.4	177.8	-58.7	-88.5	0	0	0	111.9	V289 L290 A292 L298 I446 L461 L463 V501 W505 N506 L507	V289-F300 CarbonylContact C-O 3.59Å; V289-F300 VanDerWaalsContact CA-O 3.3Å; V289-F300 WeakPolarHBondContact CA-O 3.36Å; L290-F300 HydrophobicContact CD2-CD2 4.46Å; L290-F300 PolarHBondContact N-O 3.19Å; L290-F300 PolarHBondContact O-N 2.65Å; A292-F300 HydrophobicContact CB-CD2 3.98Å; A292-F300 HydrophobicContact CB-CE2 3.85Å; L298-F300 HydrophobicContact CD1-CZ 4.37Å; L298-F300 HydrophobicContact CD2-CE2 3.64Å; L298-F300 HydrophobicContact CD2-CZ 3.64Å; L298-F300 HydrophobicContact CG-CE2 3.67Å; L298-F300 HydrophobicContact CG-CZ 3.84Å; F300-I446 HydrophobicContact CD2-CG2 4.01Å; F300-I446 HydrophobicContact CE2-CG2 3.5Å; F300-I446 HydrophobicContact CZ-CG2 4.18Å; F300-L461 HydrophobicContact CZ-CD2 4.34Å; F300-L463 HydrophobicContact CE1-CD1 4.43Å; F300-L463 HydrophobicContact CZ-CD1 3.92Å; F300-V501 HydrophobicContact CD1-CG1 4.03Å; F300-V501 HydrophobicContact CE1-CG1 3.96Å; F300-V501 HydrophobicContact CE1-CG2 3.88Å; F300-W505 HydrophobicContact CB-CE3 3.63Å; F300-W505 HydrophobicContact CB-CZ3 4.2Å; F300-N506 CarbonylContact C-O 3.55Å; F300-N506 VanDerWaalsContact CA-O 3.24Å; F300-N506 WeakPolarHBondContact CA-O 3.35Å; F300-L507 HydrophobicContact CD1-CB 4.4Å; F300-L507 HydrophobicContact CD1-CD1 4.18Å; F300-L507 HydrophobicContact CE1-CB 4.37Å; F300-L507 HydrophobicContact CE1-CD1 3.86Å; F300-L507 HydrophobicContact CZ-CD1 4.33Å
301	Y	97.8	Very high	96.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.1	173.7	163.6	-98.4	0	0	0	110.1	C287 P303 I377 Q378 I381 W505 N506	C287-Y301 HydrophobicContact CB-CD2 4.4Å; C287-Y301 HydrophobicContact CB-CE2 3.6Å; Y301-P303 HydrophobicContact CE1-CB 4.21Å; Y301-I377 HydrophobicContact CE2-CG2 3.63Å; Y301-Q378 HydrophobicContact CD1-CG 3.39Å; Y301-Q378 HydrophobicContact CD2-CG 4.06Å; Y301-Q378 HydrophobicContact CE1-CG 3.65Å; Y301-Q378 HydrophobicContact CE2-CG 4.25Å; Y301-Q378 HydrophobicContact CG-CG 3.6Å; Y301-I381 HydrophobicContact CD2-CD1 3.51Å; Y301-I381 HydrophobicContact CE2-CD1 3.69Å; Y301-W505 CarbonylContact O-C 3.58Å; Y301-W505 WeakPolarHBondContact O-CA 3.33Å; Y301-N506 HydrophobicContact CD1-CB 4.21Å; Y301-N506 PolarHBondContact N-O 2.91Å; Y301-N506 PolarHBondContact O-N 3.48Å
302	H	98	Very high	96	Very high	20 Å²	20	15 Å²	15	9%	0.093	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.2	169.9	178.8	-78.5	0	0	0	109.5	C287 Y288 G304 V439 G504 W505	C287-H302 WeakPolarHBondContact CB-O 3.33Å; Y288-H302 PolarHBondContact N-O 2.97Å; Y288-H302 PolarHBondContact O-N 2.76Å; H302-G304 VanDerWaalsContact C-N 3.3Å; H302-G304 PolarHBondContact ND1-N 2.78Å; H302-G304 VanDerWaalsContact ND1-N 3.13Å; H302-G304 PolarHBondContact O-N 3.31Å; H302-V439 VanDerWaalsContact CE1-CG2 3.44Å; H302-V439 WeakPolarHBondContact CE1-CG2 3.32Å; H302-V439 WeakPolarHBondContact ND1-CG2 3.29Å; H302-G504 VanDerWaalsContact CD2-C 3.45Å; H302-G504 PolarHBondContact CD2-O 2.9Å; H302-W505 HydrophobicContact CB-CD2 3.78Å; H302-W505 HydrophobicContact CB-CE3 3.63Å; H302-W505 HydrophobicContact CB-CG 4.41Å; H302-W505 HydrophobicContact CB-CH2 4.17Å; H302-W505 HydrophobicContact CB-CZ2 4.28Å; H302-W505 HydrophobicContact CB-CZ3 3.83Å
303	P	96.7	Very high	95.9	Very high	17 Å²	17	16.2 Å²	16.2	11%	0.11	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	-28.7	-168.5	26.7	-35.2	0	0	0	113.7	C287 Y301 W347 G504	C287-P303 WeakPolarHBondContact CA-O 3.41Å; C287-P303 WeakPolarHBondContact CB-O 3.45Å; Y301-P303 HydrophobicContact CE1-CB 4.21Å; P303-W347 HydrophobicContact CB-CD2 4.2Å; P303-W347 HydrophobicContact CB-CG 4.33Å; P303-W347 HydrophobicContact CB-CZ2 4.09Å; P303-W347 PolarHBondContact O-NE1 2.86Å; P303-G504 WeakPolarHBondContact CD-O 3.22Å
304	G	96.9	Very high	95.8	Very high	5 Å²	5	18.6 Å²	18.6	5%	0.052	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.6	-123.5	171.1	0	0	0	0	0	113.5	R286 H302 W347	R286-G304 CarbonylContact O-C 3.49Å; R286-G304 WeakPolarHBondContact O-CA 3.5Å; H302-G304 VanDerWaalsContact C-N 3.3Å; H302-G304 PolarHBondContact ND1-N 2.78Å; H302-G304 VanDerWaalsContact ND1-N 3.13Å; H302-G304 PolarHBondContact O-N 3.31Å; G304-W347 VanDerWaalsContact O-CD1 3.26Å
305	Y	97.5	Very high	95.6	Very high	9 Å²	9	21 Å²	21	4%	0.035	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	168.7	-174.3	60.1	-95.8	0	0	0	112.5	R286 Y288 R307 V344 L432 V435 V436	R286-Y305 CarbonylContact C-O 3.57Å; R286-Y305 WeakPolarHBondContact CA-O 3.29Å; R286-Y305 HydrophobicContact CB-CD2 4.17Å; R286-Y305 HydrophobicContact CB-CE1 4.44Å; R286-Y305 HydrophobicContact CB-CE2 3.89Å; R286-Y305 HydrophobicContact CG-CD1 4.4Å; R286-Y305 HydrophobicContact CG-CE1 3.81Å; R286-Y305 HydrophobicContact CG-CE2 4Å; R286-Y305 PolarHBondContact N-O 3.17Å; R286-Y305 PolarHBondContact O-N 3.17Å; R286-Y305 VanDerWaalsContact O-O 3.13Å; Y288-Y305 HydrophobicContact CE2-CD1 4.3Å; Y288-Y305 AromaticContact CE2-CE1 3.97Å; Y288-Y305 HydrophobicContact CE2-CE1 3.97Å; Y288-Y305 WeakPolarHBondContact OH-CE1 3.27Å; Y305-R307 HydrophobicContact CD2-CG 4.05Å; Y305-R307 HydrophobicContact CE2-CG 3.69Å; Y305-V344 HydrophobicContact CD2-CG1 3.8Å; Y305-V344 HydrophobicContact CE2-CG1 4.5Å; Y305-V344 HydrophobicContact CG-CG1 4.25Å; Y305-L432 HydrophobicContact CD1-CD2 3.78Å; Y305-L432 HydrophobicContact CD2-CD2 3.82Å; Y305-L432 HydrophobicContact CE1-CD2 3.57Å; Y305-L432 HydrophobicContact CE2-CD2 3.6Å; Y305-L432 HydrophobicContact CG-CD2 3.9Å; Y305-L432 VanDerWaalsContact CZ-CD2 3.48Å; Y305-V435 HydrophobicContact CD1-CG1 4.28Å; Y305-V436 HydrophobicContact CE1-CG2 4.25Å
306	I	97.8	Very high	95.5	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.6	-179.1	-71.7	92.2	0	0	0	109.9	L278 F283 D284 I285 R308 V344 W345 W347 V350	L278-I306 HydrophobicContact CD1-CG2 4.15Å; F283-I306 HydrophobicContact CB-CG2 3.97Å; F283-I306 HydrophobicContact CD2-CG2 3.67Å; F283-I306 HydrophobicContact CG-CG2 4.13Å; D284-I306 CarbonylContact O-C 3.56Å; D284-I306 WeakPolarHBondContact O-CA 3.32Å; D284-I306 WeakPolarHBondContact O-CG2 3.26Å; I285-I306 HydrophobicContact CG1-CG1 4.04Å; I306-R308 HydrophobicContact CG2-CG 4.38Å; I306-V344 CarbonylContact O-C 3.46Å; I306-V344 VanDerWaalsContact O-CA 3.3Å; I306-V344 WeakPolarHBondContact O-CA 3.25Å; I306-W345 HydrophobicContact CB-CB 4.33Å; I306-W345 HydrophobicContact CG2-CB 4.48Å; I306-W345 PolarHBondContact N-O 2.96Å; I306-W345 PolarHBondContact O-N 2.88Å; I306-W347 HydrophobicContact CD1-CD2 3.9Å; I306-W347 HydrophobicContact CD1-CG 3.92Å; I306-V350 HydrophobicContact CB-CG2 3.94Å; I306-V350 HydrophobicContact CD1-CB 4.21Å; I306-V350 HydrophobicContact CD1-CG2 3.7Å; I306-V350 HydrophobicContact CG1-CG2 3.77Å; I306-V350 HydrophobicContact CG2-CG2 3.98Å
307	R	97	Very high	95.4	Very high	11 Å²	11	29 Å²	29	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.4	176.5	-52.3	-176.4	-58	-149.6	8.2	109.5	F283 D284 Y305 N326 T343 D405	F283-R307 CarbonylContact C-O 3.59Å; F283-R307 WeakPolarHBondContact CA-O 3.46Å; F283-R307 WeakPolarHBondContact CB-O 3.31Å; D284-R307 PolarHBondContact N-O 2.8Å; D284-R307 PolarHBondContact O-N 2.6Å; D284-R307 WeakPolarHBondContact OD1-CB 3.48Å; D284-R307 IonicContact OD1-CZ 3.61Å; D284-R307 IonicContact OD1-NE 2.69Å; D284-R307 PolarHBondContact OD1-NE 3.07Å; D284-R307 IonicContact OD1-NH2 2.66Å; D284-R307 PolarHBondContact OD1-NH2 3.35Å; D284-R307 VanDerWaalsContact OD1-NH2 3.08Å; D284-R307 IonicContact OD2-CZ 2.66Å; D284-R307 IonicContact OD2-NE 3.78Å; D284-R307 PolarHBondContact OD2-NE 2.79Å; D284-R307 IonicContact OD2-NH2 3.91Å; D284-R307 PolarHBondContact OD2-NH2 2.87Å; Y305-R307 HydrophobicContact CD2-CG 4.05Å; Y305-R307 HydrophobicContact CE2-CG 3.69Å; R307-N326 PolarHBondContact NH2-ND2 3.38Å; R307-T343 WeakPolarHBondContact CA-O 3.38Å; R307-D405 IonicContact CZ-OD2 3.85Å; R307-D405 IonicContact NH1-OD2 2.65Å; R307-D405 PolarHBondContact NH1-OD2 3.49Å; R307-D405 IonicContact NH2-OD2 2.73Å; R307-D405 PolarHBondContact NH2-OD2 3.32Å
308	R	95.5	Very high	95	Very high	10 Å²	10	35.2 Å²	35.2	4%	0.038	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	152.2	177.2	-63.5	172.5	66	-148	18.7	110.4	L278 D279 K282 F283 I306 N342 T343 W345	L278-R308 HydrophobicContact CD1-CG 4.29Å; L278-R308 PolarHBondContact O-NH2 3.29Å; D279-R308 VanDerWaalsContact CB-NH2 3.34Å; D279-R308 IonicContact OD2-CZ 2.66Å; D279-R308 IonicContact OD2-NH1 3.31Å; D279-R308 IonicContact OD2-NH2 3.67Å; D279-R308 PolarHBondContact OD2-NH2 2.79Å; K282-R308 CarbonylContact O-C 3.59Å; K282-R308 WeakPolarHBondContact O-CA 3.38Å; F283-R308 HydrophobicContact CB-CG 3.95Å; I306-R308 HydrophobicContact CG2-CG 4.38Å; R308-N342 PolarHBondContact NH1-O 2.62Å; R308-T343 PolarHBondContact N-O 3.11Å; R308-W345 VanDerWaalsContact NH1-CE2 3.29Å; R308-W345 VanDerWaalsContact NH1-NE1 3.14Å
309	S	94.8	Very high	94.7	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	147.5	162.7	42.1	0	0	0	0	109.8	K282 K311	K282-S309 PolarHBondContact N-OG 3.46Å; K282-S309 PolarHBondContact O-N 2.96Å; K282-S309 PolarHBondContact O-OG 3.06Å; S309-K311 PolarHBondContact OG-O 3.11Å
310	A	91.3	Very high	94.3	Very high	25 Å²	25	41.1 Å²	41.1	21%	0.207	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-16.5	174.6	0	0	0	0	0	112.8	V339 T343	A310-V339 HydrophobicContact CB-CG2 3.91Å; A310-T343 HydrophobicContact CB-CG2 4.07Å
311	K	92.3	Very high	93.9	Very high	77 Å²	77	42 Å²	42	34%	0.335	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147.4	-177.3	-80.9	170.6	169.4	152.2	0	111.4	S309 D333	S309-K311 PolarHBondContact OG-O 3.11Å; K311-D333 VanDerWaalsContact CE-OD2 3.23Å; K311-D333 WeakPolarHBondContact CE-OD2 3.36Å; K311-D333 IonicContact NZ-OD1 3.68Å; K311-D333 IonicContact NZ-OD2 2.77Å; K311-D333 PolarHBondContact NZ-OD2 2.76Å
312	P	94.7	Very high	93.6	Very high	91 Å²	91	42 Å²	42	59%	0.591	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-54.9	146.8	170.6	-25.1	35.1	0	0	0	112	T322	P312-T322 WeakPolarHBondContact O-CG2 3.27Å
313	Y	96.6	Very high	93.4	Very high	30 Å²	30	41.1 Å²	41.1	12%	0.118	22%	0.217	C	C	.	.			trans	-82.3	135.6	-174.2	-175.4	-108.1	0	0	0	112.6	Y271 I273 P275 L277 G280 K282 N315 T322 H323	Y271-Y313 WeakPolarHBondContact CE1-OH 3.38Å; Y271-Y313 WeakPolarHBondContact OH-CE2 3.33Å; Y271-Y313 PolarHBondContact OH-OH 3.29Å; I273-Y313 WeakPolarHBondContact O-CE1 3.1Å; I273-Y313 PolarHBondContact O-OH 3.35Å; P275-Y313 HydrophobicContact CG-CD1 4Å; P275-Y313 HydrophobicContact CG-CE1 3.88Å; P275-Y313 HydrophobicContact CG-CG 4.41Å; L277-Y313 HydrophobicContact CD2-CD1 4Å; L277-Y313 HydrophobicContact CD2-CG 3.96Å; G280-Y313 WeakPolarHBondContact O-CB 3.44Å; G280-Y313 PolarHBondContact O-N 2.88Å; K282-Y313 HydrophobicContact CB-CD2 3.71Å; K282-Y313 HydrophobicContact CB-CG 4.02Å; K282-Y313 HydrophobicContact CD-CD2 3.86Å; K282-Y313 HydrophobicContact CD-CE2 3.84Å; K282-Y313 HydrophobicContact CG-CD2 4.32Å; Y313-N315 WeakPolarHBondContact CE1-OD1 3.36Å; Y313-N315 PolarHBondContact OH-OD1 3.45Å; Y313-T322 HydrophobicContact CD2-CG2 4.2Å; Y313-H323 AromaticContact CE2-CE1 3.84Å; Y313-H323 AromaticContact CE2-ND1 3.61Å
314	S	94.4	Very high	93.2	Very high	53 Å²	53	40.8 Å²	40.8	37%	0.371	22%	0.215	S	C	.	.			trans	-139.4	141	169.5	176.8	0	0	0	0	110.5	Q316 H323	S314-Q316 PolarHBondContact O-N 3.01Å; S314-Q316 PolarHBondContact OG-N 3.37Å; S314-Q316 VanDerWaalsContact OG-N 3.17Å; S314-H323 PolarHBondContact O-CE1 2.85Å
315	N	90.8	Very high	93	Very high	51 Å²	51	40.8 Å²	40.8	27%	0.273	21%	0.214	S	C	.	.	S	Bend	trans	-72.1	-18.1	172.8	-77.9	-36.6	0	0	0	113.1	R240 I273 Y313	R240-N315 VanDerWaalsContact CZ-O 3.3Å; R240-N315 PolarHBondContact NH1-O 3.03Å; R240-N315 PolarHBondContact NH2-O 2.86Å; I273-N315 WeakPolarHBondContact CG2-ND2 3.35Å; I273-N315 WeakPolarHBondContact CG2-OD1 3.31Å; I273-N315 PolarHBondContact O-ND2 3.24Å; I273-N315 PolarHBondContact O-OD1 2.96Å; Y313-N315 WeakPolarHBondContact CE1-OD1 3.36Å; Y313-N315 PolarHBondContact OH-OD1 3.45Å
316	Q	90.7	Very high	92.7	Very high	155 Å²	155	41.6 Å²	41.6	72%	0.724	22%	0.218	S	C	*	.	S	Bend	trans	-98	-10	-176.6	-56.5	-62.6	6.3	0	0	114.1	S314	S314-Q316 PolarHBondContact O-N 3.01Å; S314-Q316 PolarHBondContact OG-N 3.37Å; S314-Q316 VanDerWaalsContact OG-N 3.17Å
317	D	91.6	Very high	92.1	Very high	51 Å²	51	42.7 Å²	42.7	27%	0.273	22%	0.223	S	C	.	.			trans	-66.6	139.2	175.6	-169.3	-1.1	0	0	0	110.3	R240 N319 T322 H323	R240-D317 PolarHBondContact NH2-O 3.29Å; D317-N319 VanDerWaalsContact OD1-CB 3.26Å; D317-N319 WeakPolarHBondContact OD1-CB 3.48Å; D317-N319 PolarHBondContact OD1-N 3.16Å; D317-T322 HydrophobicContact CB-CG2 4.29Å; D317-T322 WeakPolarHBondContact OD2-CB 3.37Å; D317-T322 PolarHBondContact OD2-OG1 2.83Å; D317-H323 PolarHBondContact O-NE2 2.93Å
318	Q	87.8	Confident	91.6	Very high	131 Å²	131	46 Å²	46	61%	0.612	24%	0.239	S	C	*	.			trans	-93.2	-11.2	174	-58.2	-61.6	-8.9	0	0	111.9	R240 L320	R240-Q318 VanDerWaalsContact CD-OE1 3.22Å; Q318-L320 PolarHBondContact O-N 3.38Å
319	N	90	Very high	91.2	Very high	68 Å²	68	46.1 Å²	46.1	36%	0.364	24%	0.24	S	C	.	.			trans	-76.8	116.1	-175.9	-166.6	-22.8	0	0	0	112	D317 I321 T322 H323	D317-N319 VanDerWaalsContact OD1-CB 3.26Å; D317-N319 WeakPolarHBondContact OD1-CB 3.48Å; D317-N319 PolarHBondContact OD1-N 3.16Å; N319-I321 PolarHBondContact O-N 3.16Å; N319-I321 WeakPolarHBondContact OD1-CB 3.44Å; N319-I321 WeakPolarHBondContact OD1-CG1 3.4Å; N319-I321 PolarHBondContact OD1-N 3.49Å; N319-T322 WeakPolarHBondContact O-CB 3.26Å; N319-T322 PolarHBondContact O-N 3.36Å; N319-H323 PolarHBondContact O-CD2 3.27Å
320	L	89.9	Confident	91	Very high	55 Å²	55	46 Å²	46	29%	0.288	24%	0.239	S	C	.	.	H	α-helix	trans	-57.9	-19.4	176.7	-69.2	174	0	0	0	114.1	I236 L238 Q318 T322 H323 L324	I236-L320 WeakPolarHBondContact O-CD1 3.4Å; L238-L320 HydrophobicContact CG-CD2 4.11Å; Q318-L320 PolarHBondContact O-N 3.38Å; L320-T322 VanDerWaalsContact C-N 3.29Å; L320-T322 PolarHBondContact O-N 2.59Å; L320-H323 PolarHBondContact O-N 3.03Å; L320-L324 HydrophobicContact CB-CD1 4.08Å; L320-L324 HydrophobicContact CB-CG 4.37Å; L320-L324 HydrophobicContact CD2-CD1 4.24Å; L320-L324 HydrophobicContact CD2-CG 4.43Å; L320-L324 VanDerWaalsContact O-CB 3.28Å; L320-L324 WeakPolarHBondContact O-CB 3.41Å; L320-L324 WeakPolarHBondContact O-CG 3.43Å; L320-L324 PolarHBondContact O-N 2.94Å
321	I	89.5	Confident	90.9	Very high	18 Å²	18	48.4 Å²	48.4	9%	0.092	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-37.1	172.8	-63.5	172.5	0	0	0	111.2	N319 H323 V329 Q330 K332 D333	N319-I321 PolarHBondContact O-N 3.16Å; N319-I321 WeakPolarHBondContact OD1-CB 3.44Å; N319-I321 WeakPolarHBondContact OD1-CG1 3.4Å; N319-I321 PolarHBondContact OD1-N 3.49Å; I321-H323 VanDerWaalsContact C-N 3.34Å; I321-V329 HydrophobicContact CG1-CG1 4.01Å; I321-Q330 PolarHBondContact O-NE2 3.44Å; I321-K332 HydrophobicContact CD1-CB 4.26Å; I321-D333 HydrophobicContact CG2-CB 4.39Å
322	T	91.8	Very high	90.8	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-73.9	-27.1	177.9	-56.4	0	0	0	0	112	P312 Y313 D317 N319 L320	P312-T322 WeakPolarHBondContact O-CG2 3.27Å; Y313-T322 HydrophobicContact CD2-CG2 4.2Å; D317-T322 HydrophobicContact CB-CG2 4.29Å; D317-T322 WeakPolarHBondContact OD2-CB 3.37Å; D317-T322 PolarHBondContact OD2-OG1 2.83Å; N319-T322 WeakPolarHBondContact O-CB 3.26Å; N319-T322 PolarHBondContact O-N 3.36Å; L320-T322 VanDerWaalsContact C-N 3.29Å; L320-T322 PolarHBondContact O-N 2.59Å
323	H	93.6	Very high	90.5	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.009	23%	0.233	C	C	.	.	H	α-helix	trans	-97	-23.6	-176.8	-66.1	-80.3	0	0	0	115.2	L238 Y271 K282 Y313 S314 D317 N319 L320 I321	L238-H323 HydrophobicContact CD1-CB 4.2Å; Y271-H323 HydrophobicContact CE2-CB 4.33Å; Y271-H323 AromaticContact CE2-ND1 3.93Å; Y271-H323 AromaticContact CZ-ND1 3.51Å; Y271-H323 PolarHBondContact OH-ND1 2.87Å; K282-H323 PolarHBondContact NZ-O 3.04Å; Y313-H323 AromaticContact CE2-CE1 3.84Å; Y313-H323 AromaticContact CE2-ND1 3.61Å; S314-H323 PolarHBondContact O-CE1 2.85Å; D317-H323 PolarHBondContact O-NE2 2.93Å; N319-H323 PolarHBondContact O-CD2 3.27Å; L320-H323 PolarHBondContact O-N 3.03Å; I321-H323 VanDerWaalsContact C-N 3.34Å
324	L	93.5	Very high	90.3	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.052	27%	0.267	C	S	.	.			trans	-116.6	95	-172.5	-57.3	-176.7	0	0	0	112.7	I224 I236 L320 N326 V329 Q330	I224-L324 HydrophobicContact CD1-CD2 3.96Å; I236-L324 HydrophobicContact CB-CD1 4.37Å; I236-L324 HydrophobicContact CG2-CD1 4.32Å; I236-L324 HydrophobicContact CG2-CD2 4.23Å; L320-L324 HydrophobicContact CB-CD1 4.08Å; L320-L324 HydrophobicContact CB-CG 4.37Å; L320-L324 HydrophobicContact CD2-CD1 4.24Å; L320-L324 HydrophobicContact CD2-CG 4.43Å; L320-L324 VanDerWaalsContact O-CB 3.28Å; L320-L324 WeakPolarHBondContact O-CB 3.41Å; L320-L324 WeakPolarHBondContact O-CG 3.43Å; L320-L324 PolarHBondContact O-N 2.94Å; L324-N326 PolarHBondContact O-N 3Å; L324-V329 HydrophobicContact CB-CB 4.31Å; L324-V329 HydrophobicContact CB-CG1 4.2Å; L324-V329 HydrophobicContact CB-CG2 4.16Å; L324-V329 HydrophobicContact CD1-CG2 4.22Å; L324-Q330 PolarHBondContact O-NE2 3.17Å
325	T	92.8	Very high	90.1	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.031	26%	0.264	C	S	.	.			trans	-61	0.2	175.7	34.3	0	0	0	0	115.8	K282 D284 Q327	K282-T325 HydrophobicContact CG-CG2 4.26Å; K282-T325 WeakPolarHBondContact O-CG2 3.32Å; D284-T325 WeakPolarHBondContact OD2-CB 3.25Å; D284-T325 PolarHBondContact OD2-OG1 2.77Å; T325-Q327 PolarHBondContact O-N 2.91Å
326	N	90.3	Very high	90	Very high	25 Å²	25	50.3 Å²	50.3	13%	0.134	26%	0.255	C	S	.	.			trans	-67.9	127.4	176.1	-58	107.8	0	0	0	111.1	R307 L324 F328 V329 Q330	R307-N326 PolarHBondContact NH2-ND2 3.38Å; L324-N326 PolarHBondContact O-N 3Å; N326-F328 PolarHBondContact O-N 2.96Å; N326-V329 HydrophobicContact CB-CG2 4.36Å; N326-V329 WeakPolarHBondContact O-CA 3.38Å; N326-V329 PolarHBondContact O-N 3.29Å; N326-Q330 PolarHBondContact O-N 3.43Å; N326-Q330 VanDerWaalsContact O-N 3.07Å
327	Q	85.2	Confident	90	Very high	24 Å²	24	46.1 Å²	46.1	11%	0.112	25%	0.248	C	C	.	.	H	α-helix	trans	-55	-27.3	-179.2	-76.7	-71.6	-32	0	0	114.8	T325 V329 K331 Y336 T343	T325-Q327 PolarHBondContact O-N 2.91Å; Q327-V329 VanDerWaalsContact C-N 3.33Å; Q327-K331 VanDerWaalsContact O-CB 3.3Å; Q327-K331 WeakPolarHBondContact O-CB 3.48Å; Q327-K331 WeakPolarHBondContact O-CG 3.48Å; Q327-K331 PolarHBondContact O-N 3.16Å; Q327-Y336 PolarHBondContact OE1-OH 2.7Å; Q327-T343 PolarHBondContact NE2-O 3.37Å; Q327-T343 PolarHBondContact NE2-OG1 2.93Å
328	F	86.6	Confident	90	Very high	82 Å²	82	51.6 Å²	51.6	36%	0.36	27%	0.271	S	S	.	.	H	α-helix	trans	-67.8	-29.6	173	-179.5	-91.8	0	0	0	113.4	Q232 K234 N326	Q232-F328 HydrophobicContact CB-CB 3.83Å; Q232-F328 HydrophobicContact CB-CD1 3.88Å; Q232-F328 HydrophobicContact CB-CD2 4.44Å; Q232-F328 HydrophobicContact CB-CG 3.78Å; Q232-F328 HydrophobicContact CG-CB 4.21Å; Q232-F328 HydrophobicContact CG-CG 4.28Å; Q232-F328 VanDerWaalsContact O-CD1 3.28Å; Q232-F328 WeakPolarHBondContact O-CD1 3.37Å; K234-F328 HydrophobicContact CD-CE1 4.47Å; K234-F328 VanDerWaalsContact CE-CE1 3.45Å; K234-F328 HydrophobicContact CG-CE1 4.23Å; N326-F328 PolarHBondContact O-N 2.96Å
329	V	87.1	Confident	90.1	Very high	12 Å²	12	47.1 Å²	47.1	7%	0.073	25%	0.253	C	S	.	.	H	α-helix	trans	-83.4	-42.7	174.9	-175.4	0	0	0	0	110	I321 L324 N326 Q327 K331 K332	I321-V329 HydrophobicContact CG1-CG1 4.01Å; L324-V329 HydrophobicContact CB-CB 4.31Å; L324-V329 HydrophobicContact CB-CG1 4.2Å; L324-V329 HydrophobicContact CB-CG2 4.16Å; L324-V329 HydrophobicContact CD1-CG2 4.22Å; N326-V329 HydrophobicContact CB-CG2 4.36Å; N326-V329 WeakPolarHBondContact O-CA 3.38Å; N326-V329 PolarHBondContact O-N 3.29Å; Q327-V329 VanDerWaalsContact C-N 3.33Å; V329-K331 VanDerWaalsContact C-N 3.29Å; V329-K331 PolarHBondContact O-N 3.04Å; V329-K332 VanDerWaalsContact O-CB 3.28Å; V329-K332 WeakPolarHBondContact O-CB 3.49Å; V329-K332 PolarHBondContact O-N 3.47Å
330	Q	90.7	Very high	90.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-35.5	177.8	-60.4	-55.3	-49.6	0	0	112.9	I321 L324 N326 K332 D333 Y336	I321-Q330 PolarHBondContact O-NE2 3.44Å; L324-Q330 PolarHBondContact O-NE2 3.17Å; N326-Q330 PolarHBondContact O-N 3.43Å; N326-Q330 VanDerWaalsContact O-N 3.07Å; Q330-K332 PolarHBondContact O-N 2.72Å; Q330-D333 PolarHBondContact O-N 2.96Å; Q330-Y336 HydrophobicContact CB-CD2 4.19Å; Q330-Y336 HydrophobicContact CB-CE2 4.13Å; Q330-Y336 VanDerWaalsContact O-CD2 3.3Å; Q330-Y336 WeakPolarHBondContact O-CD2 3.35Å
331	K	89.8	Confident	90.3	Very high	75 Å²	75	47.9 Å²	47.9	33%	0.326	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-7.6	172.1	-82.9	174.3	170.1	-172.5	0	115.3	Q327 V329 Y336 H428	Q327-K331 VanDerWaalsContact O-CB 3.3Å; Q327-K331 WeakPolarHBondContact O-CB 3.48Å; Q327-K331 WeakPolarHBondContact O-CG 3.48Å; Q327-K331 PolarHBondContact O-N 3.16Å; V329-K331 VanDerWaalsContact C-N 3.29Å; V329-K331 PolarHBondContact O-N 3.04Å; K331-Y336 HydrophobicContact CD-CE1 4.45Å; K331-Y336 HydrophobicContact CG-CD1 3.95Å; K331-Y336 HydrophobicContact CG-CD2 4.41Å; K331-Y336 HydrophobicContact CG-CE1 3.47Å; K331-Y336 VanDerWaalsContact CG-CE1 3.47Å; K331-Y336 HydrophobicContact CG-CE2 3.96Å; K331-Y336 HydrophobicContact CG-CG 4.39Å; K331-Y336 VanDerWaalsContact CG-CZ 3.46Å; K331-H428 PolarHBondContact NZ-CD2 3.43Å; K331-H428 PolarHBondContact NZ-NE2 2.88Å
332	K	89.7	Confident	90.4	Very high	139 Å²	139	51.8 Å²	51.8	60%	0.604	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-10	173.6	-58.9	-173	172.7	-165.1	0	113.7	I321 V329 Q330	I321-K332 HydrophobicContact CD1-CB 4.26Å; V329-K332 VanDerWaalsContact O-CB 3.28Å; V329-K332 WeakPolarHBondContact O-CB 3.49Å; V329-K332 PolarHBondContact O-N 3.47Å; Q330-K332 PolarHBondContact O-N 2.72Å
333	D	89.6	Confident	90.5	Very high	14 Å²	14	51.8 Å²	51.8	8%	0.075	28%	0.275	C	S	.	.	S	Bend	trans	-74.2	129.6	175.7	-160.2	-76.4	0	0	0	110.1	K311 I321 Q330 A335 Y336	K311-D333 VanDerWaalsContact CE-OD2 3.23Å; K311-D333 WeakPolarHBondContact CE-OD2 3.36Å; K311-D333 IonicContact NZ-OD1 3.68Å; K311-D333 IonicContact NZ-OD2 2.77Å; K311-D333 PolarHBondContact NZ-OD2 2.76Å; I321-D333 HydrophobicContact CG2-CB 4.39Å; Q330-D333 PolarHBondContact O-N 2.96Å; D333-A335 PolarHBondContact O-N 2.72Å; D333-A335 PolarHBondContact OD1-N 2.92Å; D333-A335 VanDerWaalsContact OD1-N 3.11Å; D333-Y336 WeakPolarHBondContact O-CB 3.22Å; D333-Y336 PolarHBondContact O-N 2.71Å
334	P	90.3	Very high	90.6	Very high	127 Å²	127	51.7 Å²	51.7	83%	0.825	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.7	-179.8	-27.6	35.9	0	0	0	113.9	Y336	P334-Y336 VanDerWaalsContact C-N 3.28Å; P334-Y336 PolarHBondContact O-N 3.25Å
335	A	90.2	Very high	90.8	Very high	37 Å²	37	52.4 Å²	52.4	31%	0.306	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-0.8	179.7	0	0	0	0	0	113.7	D333 A337 E338 V339	D333-A335 PolarHBondContact O-N 2.72Å; D333-A335 PolarHBondContact OD1-N 2.92Å; D333-A335 VanDerWaalsContact OD1-N 3.11Å; A335-A337 PolarHBondContact O-N 3.22Å; A335-A337 VanDerWaalsContact O-N 3.09Å; A335-E338 PolarHBondContact O-N 3.37Å; A335-V339 PolarHBondContact O-N 3.4Å; A335-V339 VanDerWaalsContact O-N 3.12Å
336	Y	90.1	Very high	91	Very high	25 Å²	25	53.3 Å²	53.3	10%	0.098	28%	0.283	C	S	.	.	H	α-helix	trans	-55.2	-34.4	-173	178	-91.6	0	0	0	113.4	Q327 Q330 K331 D333 P334 E338 V339 K340 T343	Q327-Y336 PolarHBondContact OE1-OH 2.7Å; Q330-Y336 HydrophobicContact CB-CD2 4.19Å; Q330-Y336 HydrophobicContact CB-CE2 4.13Å; Q330-Y336 VanDerWaalsContact O-CD2 3.3Å; Q330-Y336 WeakPolarHBondContact O-CD2 3.35Å; K331-Y336 HydrophobicContact CD-CE1 4.45Å; K331-Y336 HydrophobicContact CG-CD1 3.95Å; K331-Y336 HydrophobicContact CG-CD2 4.41Å; K331-Y336 HydrophobicContact CG-CE1 3.47Å; K331-Y336 VanDerWaalsContact CG-CE1 3.47Å; K331-Y336 HydrophobicContact CG-CE2 3.96Å; K331-Y336 HydrophobicContact CG-CG 4.39Å; K331-Y336 VanDerWaalsContact CG-CZ 3.46Å; D333-Y336 WeakPolarHBondContact O-CB 3.22Å; D333-Y336 PolarHBondContact O-N 2.71Å; P334-Y336 VanDerWaalsContact C-N 3.28Å; P334-Y336 PolarHBondContact O-N 3.25Å; Y336-E338 PolarHBondContact O-N 3.07Å; Y336-V339 PolarHBondContact O-N 3.08Å; Y336-K340 HydrophobicContact CD1-CB 4.33Å; Y336-K340 HydrophobicContact CE1-CB 3.88Å; Y336-K340 HydrophobicContact CE2-CB 4.22Å; Y336-K340 WeakPolarHBondContact O-CA 3.31Å; Y336-K340 VanDerWaalsContact O-CB 3.24Å; Y336-K340 WeakPolarHBondContact O-CB 3.47Å; Y336-K340 PolarHBondContact O-N 2.78Å; Y336-T343 HydrophobicContact CD2-CG2 4.49Å; Y336-T343 HydrophobicContact CE2-CG2 4.41Å
337	A	90	Very high	91.2	Very high	68 Å²	68	53.1 Å²	53.1	56%	0.562	28%	0.281	S	S	*	.	H	α-helix	trans	-57.9	-34	-179.7	0	0	0	0	0	113.5	A335 K340	A335-A337 PolarHBondContact O-N 3.22Å; A335-A337 VanDerWaalsContact O-N 3.09Å; A337-K340 WeakPolarHBondContact O-CD 3.49Å; A337-K340 WeakPolarHBondContact O-CE 3.38Å; A337-K340 PolarHBondContact O-NZ 2.82Å; A337-K340 VanDerWaalsContact O-NZ 3.1Å
338	E	90.8	Very high	91.8	Very high	165 Å²	165	54.8 Å²	54.8	77%	0.771	30%	0.295	S	S	*	.	H	α-helix	trans	-85.5	-50.7	178.4	-62.3	166.5	-163.9	0	0	110.5	A335 Y336 K340	A335-E338 PolarHBondContact O-N 3.37Å; Y336-E338 PolarHBondContact O-N 3.07Å; E338-K340 PolarHBondContact O-N 2.8Å
339	V	91.4	Very high	92.3	Very high	38 Å²	38	54.8 Å²	54.8	23%	0.23	30%	0.296	C	S	.	.	H	α-helix	trans	-84.4	-4	-172.9	-53.1	0	0	0	0	115	A310 A335 Y336 N341 N342 T343	A310-V339 HydrophobicContact CB-CG2 3.91Å; A335-V339 PolarHBondContact O-N 3.4Å; A335-V339 VanDerWaalsContact O-N 3.12Å; Y336-V339 PolarHBondContact O-N 3.08Å; V339-N341 PolarHBondContact O-N 3.47Å; V339-N342 WeakPolarHBondContact O-CA 3.2Å; V339-N342 WeakPolarHBondContact O-CB 3.47Å; V339-N342 PolarHBondContact O-N 2.7Å; V339-T343 HydrophobicContact CG2-CG2 4.34Å; V339-T343 PolarHBondContact O-N 3.34Å
340	K	91.7	Very high	92.8	Very high	77 Å²	77	54.4 Å²	54.4	34%	0.335	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-45.8	-42.5	-176.1	63.8	-165.2	175.8	-147.7	0	114.4	Y336 A337 E338 N342 T343 C429	Y336-K340 HydrophobicContact CD1-CB 4.33Å; Y336-K340 HydrophobicContact CE1-CB 3.88Å; Y336-K340 HydrophobicContact CE2-CB 4.22Å; Y336-K340 WeakPolarHBondContact O-CA 3.31Å; Y336-K340 VanDerWaalsContact O-CB 3.24Å; Y336-K340 WeakPolarHBondContact O-CB 3.47Å; Y336-K340 PolarHBondContact O-N 2.78Å; A337-K340 WeakPolarHBondContact O-CD 3.49Å; A337-K340 WeakPolarHBondContact O-CE 3.38Å; A337-K340 PolarHBondContact O-NZ 2.82Å; A337-K340 VanDerWaalsContact O-NZ 3.1Å; E338-K340 PolarHBondContact O-N 2.8Å; K340-N342 VanDerWaalsContact C-N 3.31Å; K340-N342 PolarHBondContact O-N 3.4Å; K340-T343 PolarHBondContact O-N 2.98Å; K340-T343 VanDerWaalsContact O-N 3.17Å; K340-T343 PolarHBondContact O-OG1 3.4Å; K340-C429 PolarHBondContact O-SG 3.4Å
341	N	92.1	Very high	93.1	Very high	62 Å²	62	54.4 Å²	54.4	33%	0.332	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-71.7	-25.2	-179.3	-81.4	-13.2	0	0	0	112.7	V339 T343 V344 C429 D430	V339-N341 PolarHBondContact O-N 3.47Å; N341-T343 VanDerWaalsContact C-N 3.34Å; N341-V344 VanDerWaalsContact O-O 3.07Å; N341-C429 VanDerWaalsContact OD1-CA 3.31Å; N341-C429 WeakPolarHBondContact OD1-CA 3.49Å; N341-C429 WeakPolarHBondContact OD1-CB 3.43Å; N341-D430 PolarHBondContact ND2-OD2 3.24Å; N341-D430 PolarHBondContact OD1-N 2.95Å; N341-D430 PolarHBondContact OD1-OD2 2.87Å
342	N	91.5	Very high	93.5	Very high	99 Å²	99	54.7 Å²	54.7	53%	0.529	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-78.3	-20.6	173	-61.3	-18.6	0	0	0	112.1	R308 V339 K340 V344	R308-N342 PolarHBondContact NH1-O 2.62Å; V339-N342 WeakPolarHBondContact O-CA 3.2Å; V339-N342 WeakPolarHBondContact O-CB 3.47Å; V339-N342 PolarHBondContact O-N 2.7Å; K340-N342 VanDerWaalsContact C-N 3.31Å; K340-N342 PolarHBondContact O-N 3.4Å; N342-V344 VanDerWaalsContact C-N 3.3Å; N342-V344 PolarHBondContact O-N 3.02Å
343	T	93.6	Very high	93.9	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-78.4	-5.8	176.8	74.6	0	0	0	0	114.5	R307 R308 A310 Q327 Y336 V339 K340 N341	R307-T343 WeakPolarHBondContact CA-O 3.38Å; R308-T343 PolarHBondContact N-O 3.11Å; A310-T343 HydrophobicContact CB-CG2 4.07Å; Q327-T343 PolarHBondContact NE2-O 3.37Å; Q327-T343 PolarHBondContact NE2-OG1 2.93Å; Y336-T343 HydrophobicContact CD2-CG2 4.49Å; Y336-T343 HydrophobicContact CE2-CG2 4.41Å; V339-T343 HydrophobicContact CG2-CG2 4.34Å; V339-T343 PolarHBondContact O-N 3.34Å; K340-T343 PolarHBondContact O-N 2.98Å; K340-T343 VanDerWaalsContact O-N 3.17Å; K340-T343 PolarHBondContact O-OG1 3.4Å; N341-T343 VanDerWaalsContact C-N 3.34Å
344	V	95.8	Very high	94.3	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	121	175.5	-174	0	0	0	0	110.1	Y305 I306 N341 N342 C429 V431 L432	Y305-V344 HydrophobicContact CD2-CG1 3.8Å; Y305-V344 HydrophobicContact CE2-CG1 4.5Å; Y305-V344 HydrophobicContact CG-CG1 4.25Å; I306-V344 CarbonylContact O-C 3.46Å; I306-V344 VanDerWaalsContact O-CA 3.3Å; I306-V344 WeakPolarHBondContact O-CA 3.25Å; N341-V344 VanDerWaalsContact O-O 3.07Å; N342-V344 VanDerWaalsContact C-N 3.3Å; N342-V344 PolarHBondContact O-N 3.02Å; V344-C429 HydrophobicContact CB-CB 4.28Å; V344-C429 HydrophobicContact CG2-CB 4.11Å; V344-V431 HydrophobicContact CG1-CB 3.98Å; V344-V431 HydrophobicContact CG1-CG1 4.01Å; V344-L432 HydrophobicContact CG1-CD2 3.82Å; V344-L432 HydrophobicContact CG1-CG 4.04Å; V344-L432 HydrophobicContact CG2-CD1 4.1Å; V344-L432 HydrophobicContact CG2-CD2 4.47Å; V344-L432 HydrophobicContact CG2-CG 4.23Å
345	W	96.8	Very high	94.6	Very high	25 Å²	25	44.7 Å²	44.7	10%	0.095	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	147.9	177.6	-82.7	16	0	0	0	111.9	L278 D279 I306 R308 Q349 V350 Y353	L278-W345 HydrophobicContact CB-CH2 4.32Å; L278-W345 HydrophobicContact CB-CZ3 4.1Å; L278-W345 HydrophobicContact CD1-CE3 3.95Å; L278-W345 HydrophobicContact CD1-CZ3 4.14Å; L278-W345 HydrophobicContact CD2-CZ3 4.22Å; L278-W345 HydrophobicContact CG-CZ3 4.38Å; D279-W345 WeakPolarHBondContact OD2-CZ2 3.35Å; I306-W345 HydrophobicContact CB-CB 4.33Å; I306-W345 HydrophobicContact CG2-CB 4.48Å; I306-W345 PolarHBondContact N-O 2.96Å; I306-W345 PolarHBondContact O-N 2.88Å; R308-W345 VanDerWaalsContact NH1-CE2 3.29Å; R308-W345 VanDerWaalsContact NH1-NE1 3.14Å; W345-Q349 HydrophobicContact CB-CB 4.24Å; W345-Q349 HydrophobicContact CD2-CB 4.01Å; W345-Q349 HydrophobicContact CE3-CB 3.86Å; W345-Q349 HydrophobicContact CG-CB 4.19Å; W345-V350 HydrophobicContact CB-CG2 4.08Å; W345-V350 HydrophobicContact CE3-CG2 3.82Å; W345-Y353 AromaticContact CH2-CD2 3.86Å; W345-Y353 HydrophobicContact CH2-CD2 3.86Å; W345-Y353 HydrophobicContact CH2-CE2 4.41Å; W345-Y353 HydrophobicContact CH2-CG 4.35Å; W345-Y353 HydrophobicContact CZ3-CD2 4Å; W345-Y353 HydrophobicContact CZ3-CG 4.01Å
346	S	96.9	Very high	94.9	Very high	25 Å²	25	50.6 Å²	50.6	18%	0.175	26%	0.261	C	S	.	.			trans	-77.2	162.7	170.3	78.9	0	0	0	0	111.4	S348 Q349 V350	S346-S348 PolarHBondContact O-N 3.31Å; S346-S348 PolarHBondContact OG-N 3.18Å; S346-Q349 PolarHBondContact O-N 3.49Å; S346-Q349 PolarHBondContact OG-N 3Å; S346-Q349 PolarHBondContact OG-OE1 3.34Å; S346-V350 PolarHBondContact O-N 2.91Å
347	W	96.4	Very high	95.3	Very high	21 Å²	21	53.3 Å²	53.3	8%	0.08	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-25.3	175.2	-85.5	88	0	0	0	113.7	I285 P303 G304 I306 N351 T369 L373 Q374 I377	I285-W347 HydrophobicContact CD1-CH2 4.34Å; I285-W347 HydrophobicContact CG2-CH2 4.07Å; I285-W347 HydrophobicContact CG2-CZ2 3.42Å; I285-W347 VanDerWaalsContact CG2-CZ2 3.42Å; P303-W347 HydrophobicContact CB-CD2 4.2Å; P303-W347 HydrophobicContact CB-CG 4.33Å; P303-W347 HydrophobicContact CB-CZ2 4.09Å; P303-W347 PolarHBondContact O-NE1 2.86Å; G304-W347 VanDerWaalsContact O-CD1 3.26Å; I306-W347 HydrophobicContact CD1-CD2 3.9Å; I306-W347 HydrophobicContact CD1-CG 3.92Å; W347-N351 WeakPolarHBondContact O-CB 3.13Å; W347-N351 PolarHBondContact O-N 3.36Å; W347-T369 HydrophobicContact CE3-CG2 3.7Å; W347-T369 HydrophobicContact CZ3-CG2 3.75Å; W347-T369 WeakPolarHBondContact CZ3-O 3.26Å; W347-L373 HydrophobicContact CH2-CD2 4.08Å; W347-L373 HydrophobicContact CH2-CG 4.26Å; W347-L373 HydrophobicContact CZ3-CD2 3.9Å; W347-L373 HydrophobicContact CZ3-CG 4.3Å; W347-Q374 HydrophobicContact CE3-CG 4.08Å; W347-Q374 HydrophobicContact CH2-CG 3.61Å; W347-Q374 HydrophobicContact CZ2-CG 4.3Å; W347-Q374 HydrophobicContact CZ3-CG 3.48Å; W347-Q374 VanDerWaalsContact CZ3-CG 3.48Å; W347-I377 HydrophobicContact CH2-CD1 3.91Å; W347-I377 HydrophobicContact CZ2-CD1 4.42Å
348	S	96.4	Very high	95.6	Very high	59 Å²	59	51.9 Å²	51.9	41%	0.413	26%	0.255	S	S	.	.	H	α-helix	trans	-69.4	-50.8	172	-61.8	0	0	0	0	110.8	S346 V350 N351 D352	S346-S348 PolarHBondContact O-N 3.31Å; S346-S348 PolarHBondContact OG-N 3.18Å; S348-V350 VanDerWaalsContact C-N 3.28Å; S348-V350 PolarHBondContact O-N 2.85Å; S348-N351 WeakPolarHBondContact O-CB 3.29Å; S348-N351 PolarHBondContact O-N 3.11Å; S348-D352 WeakPolarHBondContact O-CB 3.34Å; S348-D352 PolarHBondContact O-N 3.39Å; S348-D352 VanDerWaalsContact O-OD2 3.08Å
349	Q	97.4	Very high	95.8	Very high	82 Å²	82	48 Å²	48	38%	0.383	23%	0.234	S	C	.	.	H	α-helix	trans	-54.1	-44	178.3	-68.6	171.5	-69.3	0	0	112.4	W345 S346 Y353	W345-Q349 HydrophobicContact CB-CB 4.24Å; W345-Q349 HydrophobicContact CD2-CB 4.01Å; W345-Q349 HydrophobicContact CE3-CB 3.86Å; W345-Q349 HydrophobicContact CG-CB 4.19Å; S346-Q349 PolarHBondContact O-N 3.49Å; S346-Q349 PolarHBondContact OG-N 3Å; S346-Q349 PolarHBondContact OG-OE1 3.34Å; Q349-Y353 VanDerWaalsContact O-CB 3.24Å; Q349-Y353 WeakPolarHBondContact O-CB 3.37Å; Q349-Y353 PolarHBondContact O-N 3.4Å
350	V	97.4	Very high	96	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.018	26%	0.257	C	S	.	.	H	α-helix	trans	-70.1	-38.8	176.8	179.1	0	0	0	0	112.2	L278 I306 W345 S346 S348 D352 I354 T369	L278-V350 HydrophobicContact CD1-CG2 3.89Å; I306-V350 HydrophobicContact CB-CG2 3.94Å; I306-V350 HydrophobicContact CD1-CB 4.21Å; I306-V350 HydrophobicContact CD1-CG2 3.7Å; I306-V350 HydrophobicContact CG1-CG2 3.77Å; I306-V350 HydrophobicContact CG2-CG2 3.98Å; W345-V350 HydrophobicContact CB-CG2 4.08Å; W345-V350 HydrophobicContact CE3-CG2 3.82Å; S346-V350 PolarHBondContact O-N 2.91Å; S348-V350 VanDerWaalsContact C-N 3.28Å; S348-V350 PolarHBondContact O-N 2.85Å; V350-D352 VanDerWaalsContact C-N 3.33Å; V350-D352 PolarHBondContact O-N 2.93Å; V350-I354 HydrophobicContact CG1-CG1 4.14Å; V350-I354 VanDerWaalsContact O-CB 3.3Å; V350-I354 WeakPolarHBondContact O-CB 3.31Å; V350-I354 WeakPolarHBondContact O-CG1 3.49Å; V350-I354 PolarHBondContact O-N 3.4Å; V350-T369 HydrophobicContact CB-CG2 4.49Å; V350-T369 HydrophobicContact CG1-CG2 4.05Å
351	N	97.7	Very high	96.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-45.1	175.9	-179.5	88	0	0	0	111.9	W347 S348 I354 N355 D367 T369 K370	W347-N351 WeakPolarHBondContact O-CB 3.13Å; W347-N351 PolarHBondContact O-N 3.36Å; S348-N351 WeakPolarHBondContact O-CB 3.29Å; S348-N351 PolarHBondContact O-N 3.11Å; N351-I354 PolarHBondContact O-N 2.92Å; N351-N355 PolarHBondContact ND2-ND2 3Å; N351-N355 WeakPolarHBondContact O-CB 3.34Å; N351-N355 PolarHBondContact O-N 3.03Å; N351-D367 PolarHBondContact ND2-OD1 3.35Å; N351-D367 WeakPolarHBondContact OD1-CA 3.4Å; N351-D367 PolarHBondContact OD1-OD1 3.42Å; N351-T369 HydrophobicContact CB-CG2 4Å; N351-K370 HydrophobicContact CB-CD 4.11Å; N351-K370 HydrophobicContact CB-CG 4.13Å; N351-K370 VanDerWaalsContact CG-CD 3.5Å; N351-K370 VanDerWaalsContact CG-CE 3.4Å; N351-K370 WeakPolarHBondContact ND2-CE 3.41Å; N351-K370 PolarHBondContact ND2-NZ 3.16Å; N351-K370 WeakPolarHBondContact OD1-CD 3.44Å; N351-K370 WeakPolarHBondContact OD1-CG 3.34Å; N351-K370 PolarHBondContact OD1-N 2.86Å
352	D	97.9	Very high	96.4	Very high	81 Å²	81	55.7 Å²	55.7	43%	0.433	27%	0.265	S	S	.	.	H	α-helix	trans	-78.5	-34.2	-171.8	-52	-20.2	0	0	0	110	S348 V350 K356 K370	S348-D352 WeakPolarHBondContact O-CB 3.34Å; S348-D352 PolarHBondContact O-N 3.39Å; S348-D352 VanDerWaalsContact O-OD2 3.08Å; V350-D352 VanDerWaalsContact C-N 3.33Å; V350-D352 PolarHBondContact O-N 2.93Å; D352-K356 VanDerWaalsContact O-CB 3.28Å; D352-K356 WeakPolarHBondContact O-CB 3.43Å; D352-K356 PolarHBondContact O-N 3.14Å; D352-K370 IonicContact OD1-NZ 3.78Å
353	Y	97.7	Very high	96.7	Very high	34 Å²	34	60.1 Å²	60.1	13%	0.133	28%	0.279	C	S	.	.	H	α-helix	trans	-62.2	-46.8	167	-174.7	-82.1	0	0	0	112.4	L278 D279 W345 Q349 K356 H357 Y358	L278-Y353 HydrophobicContact CD2-CD1 3.36Å; L278-Y353 HydrophobicContact CD2-CE1 3.61Å; L278-Y353 HydrophobicContact CD2-CG 4.02Å; D279-Y353 PolarHBondContact N-OH 3.14Å; D279-Y353 VanDerWaalsContact OD1-CE2 3.31Å; D279-Y353 WeakPolarHBondContact OD1-CE2 3.05Å; W345-Y353 AromaticContact CH2-CD2 3.86Å; W345-Y353 HydrophobicContact CH2-CD2 3.86Å; W345-Y353 HydrophobicContact CH2-CE2 4.41Å; W345-Y353 HydrophobicContact CH2-CG 4.35Å; W345-Y353 HydrophobicContact CZ3-CD2 4Å; W345-Y353 HydrophobicContact CZ3-CG 4.01Å; Q349-Y353 VanDerWaalsContact O-CB 3.24Å; Q349-Y353 WeakPolarHBondContact O-CB 3.37Å; Q349-Y353 PolarHBondContact O-N 3.4Å; Y353-K356 PolarHBondContact O-N 3.42Å; Y353-H357 HydrophobicContact CD1-CB 4.35Å; Y353-H357 AromaticContact CD2-CD2 3.64Å; Y353-H357 HydrophobicContact CE1-CB 4.03Å; Y353-H357 AromaticContact CE2-CD2 3.63Å; Y353-H357 AromaticContact CG-CD2 3.97Å; Y353-H357 AromaticContact CZ-CD2 3.95Å; Y353-H357 WeakPolarHBondContact O-CB 3.49Å; Y353-H357 PolarHBondContact O-N 3.01Å; Y353-Y358 HydrophobicContact CD1-CE2 4.49Å; Y353-Y358 HydrophobicContact CE1-CD2 4.17Å; Y353-Y358 AromaticContact CE1-CE2 3.79Å; Y353-Y358 HydrophobicContact CE1-CE2 3.79Å
354	I	97.7	Very high	96.8	Very high	1 Å²	1	61 Å²	61	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-44.6	177.8	-67.9	-93.4	0	0	0	110.5	L276 V350 N351 K356 Y358 R359 L364 W368 T369 M412	L276-I354 HydrophobicContact CD2-CD1 3.58Å; V350-I354 HydrophobicContact CG1-CG1 4.14Å; V350-I354 VanDerWaalsContact O-CB 3.3Å; V350-I354 WeakPolarHBondContact O-CB 3.31Å; V350-I354 WeakPolarHBondContact O-CG1 3.49Å; V350-I354 PolarHBondContact O-N 3.4Å; N351-I354 PolarHBondContact O-N 2.92Å; I354-K356 VanDerWaalsContact C-N 3.26Å; I354-K356 PolarHBondContact O-N 3.32Å; I354-Y358 HydrophobicContact CD1-CD2 3.95Å; I354-Y358 PolarHBondContact O-N 2.86Å; I354-R359 PolarHBondContact O-N 2.91Å; I354-L364 HydrophobicContact CG2-CD1 3.85Å; I354-W368 HydrophobicContact CG2-CE3 4.31Å; I354-T369 WeakPolarHBondContact CB-OG1 3.39Å; I354-T369 WeakPolarHBondContact CG1-OG1 3.46Å; I354-T369 WeakPolarHBondContact CG2-OG1 3.4Å; I354-M412 HydrophobicContact CD1-CE 4.2Å
355	N	97.2	Very high	96.8	Very high	36 Å²	36	64.3 Å²	64.3	19%	0.193	31%	0.306	C	S	.	.	H	α-helix	trans	-57.9	-37.1	175.3	-83.6	-20.6	0	0	0	112.3	N351 R359 D367	N351-N355 PolarHBondContact ND2-ND2 3Å; N351-N355 WeakPolarHBondContact O-CB 3.34Å; N351-N355 PolarHBondContact O-N 3.03Å; N355-R359 WeakPolarHBondContact O-CB 3.29Å; N355-D367 PolarHBondContact ND2-OD1 3.21Å; N355-D367 PolarHBondContact OD1-N 3.37Å
356	K	97.4	Very high	96.7	Very high	161 Å²	161	67 Å²	67	70%	0.7	32%	0.324	S	S	*	.	H	α-helix	trans	-83.3	-40.8	-178.2	179.9	-176.9	168.7	-147.1	0	114.2	D352 Y353 I354	D352-K356 VanDerWaalsContact O-CB 3.28Å; D352-K356 WeakPolarHBondContact O-CB 3.43Å; D352-K356 PolarHBondContact O-N 3.14Å; Y353-K356 PolarHBondContact O-N 3.42Å; I354-K356 VanDerWaalsContact C-N 3.26Å; I354-K356 PolarHBondContact O-N 3.32Å
357	H	96.9	Very high	96.6	Very high	82 Å²	82	68 Å²	68	38%	0.38	33%	0.328	S	S	.	.	H	α-helix	trans	-106.7	-33.4	-167.3	-71.1	-81	0	0	0	114.4	Y353	Y353-H357 HydrophobicContact CD1-CB 4.35Å; Y353-H357 AromaticContact CD2-CD2 3.64Å; Y353-H357 HydrophobicContact CE1-CB 4.03Å; Y353-H357 AromaticContact CE2-CD2 3.63Å; Y353-H357 AromaticContact CG-CD2 3.97Å; Y353-H357 AromaticContact CZ-CD2 3.95Å; Y353-H357 WeakPolarHBondContact O-CB 3.49Å; Y353-H357 PolarHBondContact O-N 3.01Å
358	Y	96.8	Very high	96.7	Very high	38 Å²	38	67.6 Å²	67.6	15%	0.149	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-14.7	-173.3	-71.6	-58.1	0	0	0	114.4	L276 L277 Y353 I354 E360 E361 K362	L276-Y358 HydrophobicContact CD1-CD1 4.27Å; L276-Y358 HydrophobicContact CD1-CD2 4.17Å; L276-Y358 HydrophobicContact CD1-CE1 3.9Å; L276-Y358 HydrophobicContact CD1-CE2 3.73Å; L276-Y358 HydrophobicContact CD1-CG 4.41Å; L276-Y358 HydrophobicContact CD2-CD2 4.08Å; L276-Y358 HydrophobicContact CD2-CE2 4.01Å; L276-Y358 HydrophobicContact CG-CD2 4.32Å; L276-Y358 HydrophobicContact CG-CE2 3.8Å; L277-Y358 WeakPolarHBondContact O-CE2 3.49Å; L277-Y358 PolarHBondContact O-OH 2.74Å; Y353-Y358 HydrophobicContact CD1-CE2 4.49Å; Y353-Y358 HydrophobicContact CE1-CD2 4.17Å; Y353-Y358 AromaticContact CE1-CE2 3.79Å; Y353-Y358 HydrophobicContact CE1-CE2 3.79Å; I354-Y358 HydrophobicContact CD1-CD2 3.95Å; I354-Y358 PolarHBondContact O-N 2.86Å; Y358-E360 PolarHBondContact O-N 2.7Å; Y358-E361 VanDerWaalsContact CD1-OE2 3.27Å; Y358-E361 WeakPolarHBondContact CD1-OE2 3.41Å; Y358-K362 HydrophobicContact CD1-CG 4.4Å; Y358-K362 VanDerWaalsContact O-CB 3.32Å; Y358-K362 WeakPolarHBondContact O-CB 3.33Å; Y358-K362 WeakPolarHBondContact O-CG 3.28Å; Y358-K362 PolarHBondContact O-N 2.83Å
359	R	96.1	Very high	96.6	Very high	84 Å²	84	64.8 Å²	64.8	32%	0.317	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-47.1	-176	-176.3	-177	158.9	-98	-3.2	113.3	I354 N355 K363 L364	I354-R359 PolarHBondContact O-N 2.91Å; N355-R359 WeakPolarHBondContact O-CB 3.29Å; R359-K363 CarbonylContact O-C 3.47Å; R359-K363 VanDerWaalsContact O-CA 3.28Å; R359-K363 WeakPolarHBondContact O-CA 3.14Å; R359-K363 PolarHBondContact O-N 2.99Å; R359-K363 VanDerWaalsContact O-N 3.07Å; R359-L364 HydrophobicContact CG-CB 4.39Å; R359-L364 VanDerWaalsContact CG-O 3.3Å; R359-L364 WeakPolarHBondContact CG-O 3.35Å; R359-L364 PolarHBondContact O-N 2.57Å
360	E	95.7	Very high	96.4	Very high	156 Å²	156	64.7 Å²	64.7	73%	0.729	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-45.4	-175.8	-61	-173.8	169.5	0	0	111	Y358 K362 K363	Y358-E360 PolarHBondContact O-N 2.7Å; E360-K362 PolarHBondContact O-N 3.08Å; E360-K363 PolarHBondContact O-N 2.76Å
361	E	96	Very high	96.3	Very high	117 Å²	117	66.3 Å²	66.3	55%	0.547	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-50.2	175.5	-167.5	-145.1	136.4	0	0	112.4	Y358	Y358-E361 VanDerWaalsContact CD1-OE2 3.27Å; Y358-E361 WeakPolarHBondContact CD1-OE2 3.41Å
362	K	96	Very high	96.2	Very high	64 Å²	64	68 Å²	68	28%	0.278	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	7.9	-177.1	-49.5	-61.4	-165.5	-167	0	113.5	Y358 E360 L364 E410 M412	Y358-K362 HydrophobicContact CD1-CG 4.4Å; Y358-K362 VanDerWaalsContact O-CB 3.32Å; Y358-K362 WeakPolarHBondContact O-CB 3.33Å; Y358-K362 WeakPolarHBondContact O-CG 3.28Å; Y358-K362 PolarHBondContact O-N 2.83Å; E360-K362 PolarHBondContact O-N 3.08Å; K362-L364 HydrophobicContact CB-CD1 4.2Å; K362-L364 HydrophobicContact CB-CD2 3.86Å; K362-L364 HydrophobicContact CB-CG 3.84Å; K362-L364 WeakPolarHBondContact O-CD2 3.39Å; K362-L364 PolarHBondContact O-N 2.88Å; K362-E410 WeakPolarHBondContact CE-O 3.47Å; K362-E410 PolarHBondContact NZ-O 3.18Å; K362-E410 VanDerWaalsContact NZ-O 3.14Å; K362-M412 HydrophobicContact CB-CG 4.43Å; K362-M412 HydrophobicContact CG-CG 4.36Å; K362-M412 HydrophobicContact CG-SD 4.19Å
363	K	96.5	Very high	96.2	Very high	192 Å²	192	64.2 Å²	64.2	84%	0.835	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	45.6	179.8	-58	179.5	-178.4	177.2	0	114.3	R359 E360	R359-K363 CarbonylContact O-C 3.47Å; R359-K363 VanDerWaalsContact O-CA 3.28Å; R359-K363 WeakPolarHBondContact O-CA 3.14Å; R359-K363 PolarHBondContact O-N 2.99Å; R359-K363 VanDerWaalsContact O-N 3.07Å; E360-K363 PolarHBondContact O-N 2.76Å
364	L	96.5	Very high	96.1	Very high	21 Å²	21	63.9 Å²	63.9	11%	0.11	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-85.1	149.7	-175.6	-48.7	174.9	0	0	0	112.4	I354 R359 K362 W368 M412	I354-L364 HydrophobicContact CG2-CD1 3.85Å; R359-L364 HydrophobicContact CG-CB 4.39Å; R359-L364 VanDerWaalsContact CG-O 3.3Å; R359-L364 WeakPolarHBondContact CG-O 3.35Å; R359-L364 PolarHBondContact O-N 2.57Å; K362-L364 HydrophobicContact CB-CD1 4.2Å; K362-L364 HydrophobicContact CB-CD2 3.86Å; K362-L364 HydrophobicContact CB-CG 3.84Å; K362-L364 WeakPolarHBondContact O-CD2 3.39Å; K362-L364 PolarHBondContact O-N 2.88Å; L364-W368 HydrophobicContact CB-CB 4.02Å; L364-W368 HydrophobicContact CB-CG 4.16Å; L364-W368 HydrophobicContact CD1-CB 4.45Å; L364-W368 HydrophobicContact CD1-CD2 4.32Å; L364-W368 HydrophobicContact CD1-CG 4.27Å; L364-W368 HydrophobicContact CD2-CD2 4.44Å; L364-W368 HydrophobicContact CD2-CG 4.24Å; L364-W368 HydrophobicContact CG-CG 4.46Å; L364-M412 HydrophobicContact CD1-CE 3.78Å; L364-M412 HydrophobicContact CD2-CG 4.4Å
365	P	95.9	Very high	96.1	Very high	69 Å²	69	66.3 Å²	66.3	45%	0.448	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-62.7	156	163.5	28.3	-35.3	0	0	0	111.5	D367 W368 V372	P365-D367 PolarHBondContact O-N 3.27Å; P365-W368 HydrophobicContact CG-CB 4.08Å; P365-W368 HydrophobicContact CG-CG 4.44Å; P365-W368 WeakPolarHBondContact O-CB 3.46Å; P365-W368 PolarHBondContact O-N 2.81Å; P365-V372 HydrophobicContact CG-CG2 4.21Å
366	V	94.6	Very high	96.1	Very high	80 Å²	80	67.7 Å²	67.7	49%	0.485	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	136.4	169	-179	0	0	0	0	109.2	W368	V366-W368 VanDerWaalsContact C-N 3.26Å; V366-W368 PolarHBondContact O-N 3.08Å
367	D	95	Very high	96.1	Very high	47 Å²	47	60 Å²	60	25%	0.251	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	32.5	-177.6	-61	-27.2	0	0	0	114.1	N351 N355 P365 T369 K370 T371	N351-D367 PolarHBondContact ND2-OD1 3.35Å; N351-D367 WeakPolarHBondContact OD1-CA 3.4Å; N351-D367 PolarHBondContact OD1-OD1 3.42Å; N355-D367 PolarHBondContact ND2-OD1 3.21Å; N355-D367 PolarHBondContact OD1-N 3.37Å; P365-D367 PolarHBondContact O-N 3.27Å; D367-T369 PolarHBondContact O-N 2.96Å; D367-T369 VanDerWaalsContact O-N 3.12Å; D367-K370 HydrophobicContact CB-CB 4.34Å; D367-K370 PolarHBondContact O-N 3.09Å; D367-T371 WeakPolarHBondContact O-CB 3.5Å; D367-T371 PolarHBondContact O-N 3.39Å; D367-T371 PolarHBondContact O-OG1 3.06Å
368	W	97.3	Very high	96.2	Very high	12 Å²	12	57.9 Å²	57.9	5%	0.045	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-37.5	171.7	178.8	90.8	0	0	0	112.6	I354 L364 P365 V366 T371 V372 L373 L408 M412	I354-W368 HydrophobicContact CG2-CE3 4.31Å; L364-W368 HydrophobicContact CB-CB 4.02Å; L364-W368 HydrophobicContact CB-CG 4.16Å; L364-W368 HydrophobicContact CD1-CB 4.45Å; L364-W368 HydrophobicContact CD1-CD2 4.32Å; L364-W368 HydrophobicContact CD1-CG 4.27Å; L364-W368 HydrophobicContact CD2-CD2 4.44Å; L364-W368 HydrophobicContact CD2-CG 4.24Å; L364-W368 HydrophobicContact CG-CG 4.46Å; P365-W368 HydrophobicContact CG-CB 4.08Å; P365-W368 HydrophobicContact CG-CG 4.44Å; P365-W368 WeakPolarHBondContact O-CB 3.46Å; P365-W368 PolarHBondContact O-N 2.81Å; V366-W368 VanDerWaalsContact C-N 3.26Å; V366-W368 PolarHBondContact O-N 3.08Å; W368-T371 WeakPolarHBondContact CA-OG1 3.3Å; W368-T371 CarbonylContact O-C 3.57Å; W368-T371 PolarHBondContact O-N 2.81Å; W368-V372 HydrophobicContact CD2-CB 4.48Å; W368-V372 HydrophobicContact CG-CB 4.14Å; W368-V372 HydrophobicContact CG-CG2 4.44Å; W368-V372 PolarHBondContact O-N 3.15Å; W368-L373 HydrophobicContact CE3-CB 4.09Å; W368-L373 HydrophobicContact CH2-CB 3.86Å; W368-L373 HydrophobicContact CH2-CD1 3.97Å; W368-L373 HydrophobicContact CH2-CD2 4.36Å; W368-L373 HydrophobicContact CH2-CG 4.27Å; W368-L373 HydrophobicContact CZ2-CB 4.42Å; W368-L373 HydrophobicContact CZ3-CB 3.7Å; W368-L373 HydrophobicContact CZ3-CD1 4.31Å; W368-L373 HydrophobicContact CZ3-CD2 3.86Å; W368-L373 HydrophobicContact CZ3-CG 4.16Å; W368-L373 PolarHBondContact O-N 3.34Å; W368-L408 HydrophobicContact CH2-CD1 3.98Å; W368-L408 HydrophobicContact CH2-CD2 3.94Å; W368-L408 HydrophobicContact CZ3-CD2 3.88Å; W368-M412 HydrophobicContact CD2-CE 4.31Å; W368-M412 HydrophobicContact CE3-CE 3.8Å; W368-M412 HydrophobicContact CH2-CB 4.16Å; W368-M412 HydrophobicContact CH2-CE 3.55Å; W368-M412 HydrophobicContact CZ2-CB 3.97Å; W368-M412 HydrophobicContact CZ2-CE 4.05Å; W368-M412 HydrophobicContact CZ3-CE 3.38Å
369	T	96	Very high	96.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	28%	0.282	C	S	.	.	I	π-helix	trans	-65.6	-46.2	177.6	-61.2	0	0	0	0	112.6	W347 V350 N351 I354 D367 T371 L373	W347-T369 HydrophobicContact CE3-CG2 3.7Å; W347-T369 HydrophobicContact CZ3-CG2 3.75Å; W347-T369 WeakPolarHBondContact CZ3-O 3.26Å; V350-T369 HydrophobicContact CB-CG2 4.49Å; V350-T369 HydrophobicContact CG1-CG2 4.05Å; N351-T369 HydrophobicContact CB-CG2 4Å; I354-T369 WeakPolarHBondContact CB-OG1 3.39Å; I354-T369 WeakPolarHBondContact CG1-OG1 3.46Å; I354-T369 WeakPolarHBondContact CG2-OG1 3.4Å; D367-T369 PolarHBondContact O-N 2.96Å; D367-T369 VanDerWaalsContact O-N 3.12Å; T369-T371 VanDerWaalsContact C-N 3.33Å; T369-L373 HydrophobicContact CG2-CD2 4.23Å
370	K	92.6	Very high	96.3	Very high	80 Å²	80	56.6 Å²	56.6	35%	0.348	27%	0.269	S	S	.	.	I	π-helix	trans	-76.1	-20	176.7	-70	162	-177	154.8	0	112.9	N351 D352 D367	N351-K370 HydrophobicContact CB-CD 4.11Å; N351-K370 HydrophobicContact CB-CG 4.13Å; N351-K370 VanDerWaalsContact CG-CD 3.5Å; N351-K370 VanDerWaalsContact CG-CE 3.4Å; N351-K370 WeakPolarHBondContact ND2-CE 3.41Å; N351-K370 PolarHBondContact ND2-NZ 3.16Å; N351-K370 WeakPolarHBondContact OD1-CD 3.44Å; N351-K370 WeakPolarHBondContact OD1-CG 3.34Å; N351-K370 PolarHBondContact OD1-N 2.86Å; D352-K370 IonicContact OD1-NZ 3.78Å; D367-K370 HydrophobicContact CB-CB 4.34Å; D367-K370 PolarHBondContact O-N 3.09Å
371	T	94.1	Very high	96.4	Very high	37 Å²	37	49.4 Å²	49.4	23%	0.227	24%	0.235	C	C	.	.	I	π-helix	trans	-105.8	-84.5	-176.4	56.4	0	0	0	0	113	D367 W368 T369 L373 Q374 W375	D367-T371 WeakPolarHBondContact O-CB 3.5Å; D367-T371 PolarHBondContact O-N 3.39Å; D367-T371 PolarHBondContact O-OG1 3.06Å; W368-T371 WeakPolarHBondContact CA-OG1 3.3Å; W368-T371 CarbonylContact O-C 3.57Å; W368-T371 PolarHBondContact O-N 2.81Å; T369-T371 VanDerWaalsContact C-N 3.33Å; T371-L373 PolarHBondContact O-N 2.81Å; T371-Q374 PolarHBondContact O-N 2.88Å; T371-W375 WeakPolarHBondContact O-CB 3.16Å; T371-W375 PolarHBondContact O-N 3.05Å
372	V	96.5	Very high	96.5	Very high	37 Å²	37	47.1 Å²	47.1	22%	0.224	22%	0.224	C	C	.	.	I	π-helix	trans	-62.7	-41.3	-171.6	-176.8	0	0	0	0	112.1	P365 W368 R376	P365-V372 HydrophobicContact CG-CG2 4.21Å; W368-V372 HydrophobicContact CD2-CB 4.48Å; W368-V372 HydrophobicContact CG-CB 4.14Å; W368-V372 HydrophobicContact CG-CG2 4.44Å; W368-V372 PolarHBondContact O-N 3.15Å; V372-R376 HydrophobicContact CG1-CG 4.48Å; V372-R376 WeakPolarHBondContact O-CB 3.35Å; V372-R376 WeakPolarHBondContact O-CG 3.27Å; V372-R376 PolarHBondContact O-N 3.18Å
373	L	97.5	Very high	96.5	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.215	C	C	.	.	I	π-helix	trans	-66.8	-50.3	179.8	177.8	59.1	0	0	0	112	I285 W347 W368 T369 T371 W375 R376 I377 L408 V414	I285-L373 HydrophobicContact CD1-CD1 4.46Å; I285-L373 HydrophobicContact CD1-CD2 3.93Å; W347-L373 HydrophobicContact CH2-CD2 4.08Å; W347-L373 HydrophobicContact CH2-CG 4.26Å; W347-L373 HydrophobicContact CZ3-CD2 3.9Å; W347-L373 HydrophobicContact CZ3-CG 4.3Å; W368-L373 HydrophobicContact CE3-CB 4.09Å; W368-L373 HydrophobicContact CH2-CB 3.86Å; W368-L373 HydrophobicContact CH2-CD1 3.97Å; W368-L373 HydrophobicContact CH2-CD2 4.36Å; W368-L373 HydrophobicContact CH2-CG 4.27Å; W368-L373 HydrophobicContact CZ2-CB 4.42Å; W368-L373 HydrophobicContact CZ3-CB 3.7Å; W368-L373 HydrophobicContact CZ3-CD1 4.31Å; W368-L373 HydrophobicContact CZ3-CD2 3.86Å; W368-L373 HydrophobicContact CZ3-CG 4.16Å; W368-L373 PolarHBondContact O-N 3.34Å; T369-L373 HydrophobicContact CG2-CD2 4.23Å; T371-L373 PolarHBondContact O-N 2.81Å; L373-W375 VanDerWaalsContact C-N 3.29Å; L373-W375 PolarHBondContact O-N 2.92Å; L373-R376 PolarHBondContact O-N 3.23Å; L373-I377 HydrophobicContact CD1-CD1 3.94Å; L373-I377 HydrophobicContact CD1-CG1 4.25Å; L373-I377 HydrophobicContact CG-CD1 3.97Å; L373-I377 WeakPolarHBondContact O-CG1 3.42Å; L373-I377 PolarHBondContact O-N 3.07Å; L373-L408 HydrophobicContact CD1-CD1 4.44Å; L373-L408 HydrophobicContact CD2-CD2 4.47Å; L373-V414 HydrophobicContact CD1-CG2 3.46Å; L373-V414 VanDerWaalsContact CD1-CG2 3.46Å
374	Q	96.9	Very high	96.5	Very high	26 Å²	26	36 Å²	36	12%	0.121	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-33.3	178.4	-70.2	-169.8	29.2	0	0	112.5	W347 T371 Q378	W347-Q374 HydrophobicContact CE3-CG 4.08Å; W347-Q374 HydrophobicContact CH2-CG 3.61Å; W347-Q374 HydrophobicContact CZ2-CG 4.3Å; W347-Q374 HydrophobicContact CZ3-CG 3.48Å; W347-Q374 VanDerWaalsContact CZ3-CG 3.48Å; T371-Q374 PolarHBondContact O-N 2.88Å; Q374-Q378 WeakPolarHBondContact O-CB 3.34Å; Q374-Q378 VanDerWaalsContact O-CG 3.29Å; Q374-Q378 WeakPolarHBondContact O-CG 3.46Å; Q374-Q378 PolarHBondContact O-N 2.85Å; Q374-Q378 PolarHBondContact O-NE2 3.33Å
375	W	96.4	Very high	96.5	Very high	53 Å²	53	35.3 Å²	35.3	20%	0.201	17%	0.173	C	C	.	.	H	α-helix	trans	-68.7	-42.9	172.5	174.9	91.7	0	0	0	112.4	T371 L373 Q378 R379 I774 I779	T371-W375 WeakPolarHBondContact O-CB 3.16Å; T371-W375 PolarHBondContact O-N 3.05Å; L373-W375 VanDerWaalsContact C-N 3.29Å; L373-W375 PolarHBondContact O-N 2.92Å; W375-Q378 PolarHBondContact O-N 2.86Å; W375-R379 HydrophobicContact CD2-CG 4.49Å; W375-R379 VanDerWaalsContact CZ2-CD 3.45Å; W375-R379 PolarHBondContact O-N 3.29Å; W375-I774 HydrophobicContact CZ2-CB 4.23Å; W375-I774 HydrophobicContact CZ2-CD1 4.41Å; W375-I779 HydrophobicContact CH2-CD1 3.64Å; W375-I779 HydrophobicContact CH2-CG1 3.86Å; W375-I779 HydrophobicContact CZ2-CD1 3.72Å; W375-I779 HydrophobicContact CZ2-CG1 4.05Å
376	R	97.3	Very high	96.4	Very high	64 Å²	64	33.2 Å²	33.2	24%	0.242	16%	0.159	C	C	.	.	H	α-helix	trans	-59	-47	173.5	-81.6	178.6	170.7	-173.9	-4.7	111.3	V372 L373 R379 I380 M412 V414	V372-R376 HydrophobicContact CG1-CG 4.48Å; V372-R376 WeakPolarHBondContact O-CB 3.35Å; V372-R376 WeakPolarHBondContact O-CG 3.27Å; V372-R376 PolarHBondContact O-N 3.18Å; L373-R376 PolarHBondContact O-N 3.23Å; R376-R379 PolarHBondContact O-N 2.97Å; R376-I380 WeakPolarHBondContact O-CG1 3.3Å; R376-I380 PolarHBondContact O-N 2.89Å; R376-I380 VanDerWaalsContact O-N 3.11Å; R376-M412 PolarHBondContact NH1-O 3Å; R376-V414 HydrophobicContact CB-CG2 4.22Å
377	I	98.2	Very high	96.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.3	-53.6	175.5	-72	168.5	0	0	0	110.1	I285 Y301 W347 L373 R379 I380 I381 F406 V414	I285-I377 HydrophobicContact CD1-CD1 4.09Å; I285-I377 HydrophobicContact CG2-CD1 4.34Å; Y301-I377 HydrophobicContact CE2-CG2 3.63Å; W347-I377 HydrophobicContact CH2-CD1 3.91Å; W347-I377 HydrophobicContact CZ2-CD1 4.42Å; L373-I377 HydrophobicContact CD1-CD1 3.94Å; L373-I377 HydrophobicContact CD1-CG1 4.25Å; L373-I377 HydrophobicContact CG-CD1 3.97Å; L373-I377 WeakPolarHBondContact O-CG1 3.42Å; L373-I377 PolarHBondContact O-N 3.07Å; I377-R379 VanDerWaalsContact C-N 3.32Å; I377-R379 PolarHBondContact O-N 3.29Å; I377-I380 PolarHBondContact O-N 3.44Å; I377-I381 HydrophobicContact CG2-CD1 3.64Å; I377-I381 HydrophobicContact CG2-CG1 4.26Å; I377-I381 VanDerWaalsContact O-CG1 3.31Å; I377-I381 WeakPolarHBondContact O-CG1 3.48Å; I377-I381 PolarHBondContact O-N 3.05Å; I377-F406 HydrophobicContact CG1-CD1 4.48Å; I377-F406 HydrophobicContact CG1-CG 4.47Å; I377-F406 HydrophobicContact CG2-CD2 4.2Å; I377-F406 HydrophobicContact CG2-CE2 3.84Å; I377-F406 HydrophobicContact CG2-CZ 4.07Å; I377-V414 HydrophobicContact CG1-CG1 3.91Å
378	Q	98	Very high	96.2	Very high	38 Å²	38	27.4 Å²	27.4	18%	0.178	13%	0.125	C	C	.	.	H	α-helix	trans	-57.1	-41	179.5	-76.4	173.1	93.9	0	0	112.9	Y301 Q374 W375 I380 I381 H382 L508	Y301-Q378 HydrophobicContact CD1-CG 3.39Å; Y301-Q378 HydrophobicContact CD2-CG 4.06Å; Y301-Q378 HydrophobicContact CE1-CG 3.65Å; Y301-Q378 HydrophobicContact CE2-CG 4.25Å; Y301-Q378 HydrophobicContact CG-CG 3.6Å; Q374-Q378 WeakPolarHBondContact O-CB 3.34Å; Q374-Q378 VanDerWaalsContact O-CG 3.29Å; Q374-Q378 WeakPolarHBondContact O-CG 3.46Å; Q374-Q378 PolarHBondContact O-N 2.85Å; Q374-Q378 PolarHBondContact O-NE2 3.33Å; W375-Q378 PolarHBondContact O-N 2.86Å; Q378-I380 PolarHBondContact O-N 3.32Å; Q378-I381 PolarHBondContact O-N 2.81Å; Q378-H382 WeakPolarHBondContact O-CB 3.23Å; Q378-H382 PolarHBondContact O-N 2.84Å; Q378-L508 HydrophobicContact CB-CD1 3.83Å; Q378-L508 HydrophobicContact CG-CD1 4.06Å
379	R	97.3	Very high	96	Very high	86 Å²	86	27.5 Å²	27.5	33%	0.325	13%	0.126	S	C	.	.	H	α-helix	trans	-60.8	-42.2	174.4	-76.1	-174.2	65	-159.5	0	112.9	W375 R376 I377 H383	W375-R379 HydrophobicContact CD2-CG 4.49Å; W375-R379 VanDerWaalsContact CZ2-CD 3.45Å; W375-R379 PolarHBondContact O-N 3.29Å; R376-R379 PolarHBondContact O-N 2.97Å; I377-R379 VanDerWaalsContact C-N 3.32Å; I377-R379 PolarHBondContact O-N 3.29Å; R379-H383 WeakPolarHBondContact O-CB 3.5Å; R379-H383 PolarHBondContact O-N 2.76Å
380	I	98.3	Very high	95.7	Very high	9 Å²	9	30.7 Å²	30.7	5%	0.046	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-46.2	176	-63.4	160.1	0	0	0	110.4	M189 F194 R376 I377 Q378 H382 H383 V384 F406 V414 L416	M189-I380 HydrophobicContact CE-CG1 4.36Å; M189-I380 HydrophobicContact SD-CG1 4.33Å; F194-I380 HydrophobicContact CB-CD1 3.75Å; F194-I380 HydrophobicContact CB-CG1 3.76Å; F194-I380 HydrophobicContact CB-CG2 3.98Å; F194-I380 HydrophobicContact CD2-CG2 3.44Å; F194-I380 VanDerWaalsContact CD2-CG2 3.44Å; F194-I380 HydrophobicContact CE2-CG2 4.03Å; F194-I380 HydrophobicContact CG-CG1 4.16Å; F194-I380 HydrophobicContact CG-CG2 3.74Å; R376-I380 WeakPolarHBondContact O-CG1 3.3Å; R376-I380 PolarHBondContact O-N 2.89Å; R376-I380 VanDerWaalsContact O-N 3.11Å; I377-I380 PolarHBondContact O-N 3.44Å; Q378-I380 PolarHBondContact O-N 3.32Å; I380-H382 PolarHBondContact O-N 2.94Å; I380-H383 PolarHBondContact O-N 2.8Å; I380-V384 HydrophobicContact CG2-CG2 4.2Å; I380-V384 WeakPolarHBondContact O-CB 3.34Å; I380-V384 VanDerWaalsContact O-CG2 3.23Å; I380-V384 WeakPolarHBondContact O-CG2 3.44Å; I380-V384 PolarHBondContact O-N 3.48Å; I380-F406 HydrophobicContact CB-CE1 4.05Å; I380-F406 HydrophobicContact CB-CZ 4.32Å; I380-F406 HydrophobicContact CD1-CE1 4.02Å; I380-F406 HydrophobicContact CG2-CE1 3.75Å; I380-F406 HydrophobicContact CG2-CZ 4.07Å; I380-V414 HydrophobicContact CD1-CB 4.08Å; I380-V414 HydrophobicContact CD1-CG1 3.8Å; I380-L416 HydrophobicContact CG2-CB 4.42Å
381	I	98.2	Very high	95.6	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-63.1	-44.8	179.6	-58.1	174.1	0	0	0	111.2	V289 Y301 I377 Q378 H383 V384 F385 L404 F406 L508	V289-I381 HydrophobicContact CG1-CG2 4.36Å; V289-I381 HydrophobicContact CG2-CD1 3.88Å; V289-I381 HydrophobicContact CG2-CG2 3.53Å; Y301-I381 HydrophobicContact CD2-CD1 3.51Å; Y301-I381 HydrophobicContact CE2-CD1 3.69Å; I377-I381 HydrophobicContact CG2-CD1 3.64Å; I377-I381 HydrophobicContact CG2-CG1 4.26Å; I377-I381 VanDerWaalsContact O-CG1 3.31Å; I377-I381 WeakPolarHBondContact O-CG1 3.48Å; I377-I381 PolarHBondContact O-N 3.05Å; Q378-I381 PolarHBondContact O-N 2.81Å; I381-H383 VanDerWaalsContact C-N 3.34Å; I381-H383 PolarHBondContact O-N 3.17Å; I381-V384 PolarHBondContact O-N 3.13Å; I381-F385 WeakPolarHBondContact O-CB 3.48Å; I381-F385 PolarHBondContact O-N 3.27Å; I381-L404 HydrophobicContact CB-CD2 4.4Å; I381-L404 HydrophobicContact CD1-CD2 4.05Å; I381-L404 HydrophobicContact CG1-CD2 3.7Å; I381-L404 HydrophobicContact CG2-CD2 3.99Å; I381-F406 HydrophobicContact CD1-CE2 4.04Å; I381-F406 HydrophobicContact CD1-CZ 4.29Å; I381-F406 HydrophobicContact CG1-CE2 3.94Å; I381-F406 HydrophobicContact CG1-CZ 3.73Å; I381-L508 HydrophobicContact CB-CD2 4.04Å; I381-L508 HydrophobicContact CG2-CD2 3.43Å; I381-L508 VanDerWaalsContact CG2-CD2 3.43Å
382	H	96.8	Very high	95.4	Very high	68 Å²	68	28.6 Å²	28.6	32%	0.315	13%	0.129	S	C	.	.	H	α-helix	trans	-60.3	-42.6	177.2	178.8	-89.1	0	0	0	111.9	Q378 I380 T386 L508 Y509	Q378-H382 WeakPolarHBondContact O-CB 3.23Å; Q378-H382 PolarHBondContact O-N 2.84Å; I380-H382 PolarHBondContact O-N 2.94Å; H382-T386 WeakPolarHBondContact O-CB 3.24Å; H382-T386 WeakPolarHBondContact O-CG2 3.43Å; H382-T386 PolarHBondContact O-N 3.49Å; H382-T386 PolarHBondContact O-OG1 3.14Å; H382-L508 HydrophobicContact CB-CD1 4.26Å; H382-L508 HydrophobicContact CB-CG 4.46Å; H382-L508 PolarHBondContact CD2-O 3.43Å; H382-Y509 AromaticContact NE2-CD2 3.5Å
383	H	96.5	Very high	95.1	Very high	19 Å²	19	26.9 Å²	26.9	9%	0.088	12%	0.118	C	C	.	.	H	α-helix	trans	-61.8	-52.2	173.6	177.6	103.6	0	0	0	111.3	Y175 M189 F194 R379 I380 I381 F385 T386 T387	Y175-H383 AromaticContact CE1-CE1 3.71Å; M189-H383 HydrophobicContact CE-CB 3.29Å; M189-H383 VanDerWaalsContact CE-CG 3.49Å; M189-H383 PolarHBondContact O-CE1 2.87Å; F194-H383 AromaticContact CE1-CD2 3.81Å; F194-H383 AromaticContact CE1-NE2 3.9Å; F194-H383 AromaticContact CZ-CD2 3.61Å; F194-H383 AromaticContact CZ-NE2 3.86Å; R379-H383 WeakPolarHBondContact O-CB 3.5Å; R379-H383 PolarHBondContact O-N 2.76Å; I380-H383 PolarHBondContact O-N 2.8Å; I381-H383 VanDerWaalsContact C-N 3.34Å; I381-H383 PolarHBondContact O-N 3.17Å; H383-F385 VanDerWaalsContact C-N 3.32Å; H383-F385 PolarHBondContact O-N 2.66Å; H383-T386 WeakPolarHBondContact CA-OG1 3.42Å; H383-T386 PolarHBondContact O-N 3.12Å; H383-T386 VanDerWaalsContact O-N 3.13Å; H383-T386 PolarHBondContact O-OG1 2.92Å; H383-T387 WeakPolarHBondContact O-CG2 3.39Å; H383-T387 PolarHBondContact O-N 3.16Å
384	V	97.4	Very high	94.8	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.018	12%	0.121	C	C	.	.	H	α-helix	trans	-55.5	-45.8	179.2	167.8	0	0	0	0	111.3	L162 L168 L172 F194 I380 I381 T387 L416	L162-V384 HydrophobicContact CD2-CG1 3.53Å; L168-V384 HydrophobicContact CD1-CG1 3.98Å; L172-V384 HydrophobicContact CD2-CG2 4.3Å; F194-V384 HydrophobicContact CE2-CG2 3.77Å; F194-V384 HydrophobicContact CZ-CG2 4.24Å; I380-V384 HydrophobicContact CG2-CG2 4.2Å; I380-V384 WeakPolarHBondContact O-CB 3.34Å; I380-V384 VanDerWaalsContact O-CG2 3.23Å; I380-V384 WeakPolarHBondContact O-CG2 3.44Å; I380-V384 PolarHBondContact O-N 3.48Å; I381-V384 PolarHBondContact O-N 3.13Å; V384-T387 PolarHBondContact O-N 3.09Å; V384-T387 PolarHBondContact O-OG1 3.19Å; V384-L416 HydrophobicContact CG2-CD2 3.81Å
385	F	96.4	Very high	94.6	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.035	13%	0.125	C	C	.	.	H	α-helix	trans	-62.4	-47.6	174.9	174.3	-100.9	0	0	0	112.6	I291 Y297 V299 I381 H383 T387 V388 K389 Y509	I291-F385 HydrophobicContact CD1-CD2 4.21Å; I291-F385 HydrophobicContact CD1-CE2 3.94Å; I291-F385 HydrophobicContact CG1-CE2 4.25Å; Y297-F385 HydrophobicContact CD1-CE2 4.31Å; Y297-F385 AromaticContact CD1-CZ 3.77Å; Y297-F385 HydrophobicContact CD1-CZ 3.77Å; Y297-F385 HydrophobicContact CD2-CZ 4.04Å; Y297-F385 HydrophobicContact CE1-CE2 4.24Å; Y297-F385 AromaticContact CE1-CZ 3.99Å; Y297-F385 HydrophobicContact CE1-CZ 3.99Å; Y297-F385 HydrophobicContact CE2-CZ 4.23Å; Y297-F385 AromaticContact CG-CZ 3.82Å; Y297-F385 HydrophobicContact CG-CZ 3.82Å; V299-F385 HydrophobicContact CG2-CD2 4.46Å; V299-F385 HydrophobicContact CG2-CE1 3.99Å; V299-F385 HydrophobicContact CG2-CE2 3.94Å; V299-F385 HydrophobicContact CG2-CZ 3.69Å; I381-F385 WeakPolarHBondContact O-CB 3.48Å; I381-F385 PolarHBondContact O-N 3.27Å; H383-F385 VanDerWaalsContact C-N 3.32Å; H383-F385 PolarHBondContact O-N 2.66Å; F385-T387 VanDerWaalsContact C-N 3.26Å; F385-T387 PolarHBondContact O-N 2.98Å; F385-V388 VanDerWaalsContact O-CG2 3.25Å; F385-V388 WeakPolarHBondContact O-CG2 3.32Å; F385-V388 PolarHBondContact O-N 3.2Å; F385-V388 VanDerWaalsContact O-N 3.08Å; F385-K389 HydrophobicContact CD1-CB 4.42Å; F385-K389 HydrophobicContact CE1-CB 3.89Å; F385-K389 HydrophobicContact CE1-CD 4.45Å; F385-K389 HydrophobicContact CZ-CB 3.94Å; F385-K389 PolarHBondContact O-N 3.33Å; F385-Y509 HydrophobicContact CD1-CD1 4.35Å; F385-Y509 HydrophobicContact CD1-CG 4.46Å; F385-Y509 AromaticContact CE1-CD1 3.53Å; F385-Y509 HydrophobicContact CE1-CD1 3.53Å; F385-Y509 AromaticContact CE1-CE1 3.91Å; F385-Y509 HydrophobicContact CE1-CE1 3.91Å; F385-Y509 HydrophobicContact CE1-CG 4.07Å; F385-Y509 HydrophobicContact CZ-CD1 4.31Å
386	T	93	Very high	94.6	Very high	25 Å²	25	26.9 Å²	26.9	15%	0.153	12%	0.122	C	C	.	.	H	α-helix	trans	-65.9	-24.8	-179.9	50.9	0	0	0	0	113.1	H382 H383 V388 K389	H382-T386 WeakPolarHBondContact O-CB 3.24Å; H382-T386 WeakPolarHBondContact O-CG2 3.43Å; H382-T386 PolarHBondContact O-N 3.49Å; H382-T386 PolarHBondContact O-OG1 3.14Å; H383-T386 WeakPolarHBondContact CA-OG1 3.42Å; H383-T386 PolarHBondContact O-N 3.12Å; H383-T386 VanDerWaalsContact O-N 3.13Å; H383-T386 PolarHBondContact O-OG1 2.92Å; T386-V388 PolarHBondContact O-N 3Å; T386-K389 HydrophobicContact CG2-CD 4.18Å
387	T	93.4	Very high	94.5	Very high	4 Å²	4	24 Å²	24	3%	0.025	11%	0.113	C	C	.	.	H	α-helix	trans	-61.6	-29.2	171.7	74.3	0	0	0	0	113.8	L172 Y175 H383 V384 F385	L172-T387 HydrophobicContact CD2-CG2 3.81Å; Y175-T387 HydrophobicContact CD1-CG2 3.66Å; Y175-T387 HydrophobicContact CD2-CG2 3.95Å; Y175-T387 HydrophobicContact CE1-CG2 4.24Å; Y175-T387 HydrophobicContact CE2-CG2 4.48Å; Y175-T387 HydrophobicContact CG-CG2 3.5Å; H383-T387 WeakPolarHBondContact O-CG2 3.39Å; H383-T387 PolarHBondContact O-N 3.16Å; V384-T387 PolarHBondContact O-N 3.09Å; V384-T387 PolarHBondContact O-OG1 3.19Å; F385-T387 VanDerWaalsContact C-N 3.26Å; F385-T387 PolarHBondContact O-N 2.98Å
388	V	92.7	Very high	94.4	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-113.2	-13	-175.9	-60.5	0	0	0	0	115.2	L161 L162 F385 T386 N390 R391 L392	L161-V388 HydrophobicContact CB-CG1 4.02Å; L162-V388 HydrophobicContact CD1-CG2 3.75Å; L162-V388 HydrophobicContact CD2-CB 4.34Å; L162-V388 HydrophobicContact CD2-CG1 3.74Å; L162-V388 HydrophobicContact CD2-CG2 3.66Å; L162-V388 HydrophobicContact CG-CB 4.47Å; L162-V388 HydrophobicContact CG-CG1 4.17Å; L162-V388 HydrophobicContact CG-CG2 3.66Å; F385-V388 VanDerWaalsContact O-CG2 3.25Å; F385-V388 WeakPolarHBondContact O-CG2 3.32Å; F385-V388 PolarHBondContact O-N 3.2Å; F385-V388 VanDerWaalsContact O-N 3.08Å; T386-V388 PolarHBondContact O-N 3Å; V388-N390 PolarHBondContact O-N 3.01Å; V388-R391 WeakPolarHBondContact O-CA 3.4Å; V388-R391 PolarHBondContact O-N 3.35Å; V388-L392 HydrophobicContact CB-CG 4.37Å; V388-L392 HydrophobicContact CG2-CD1 3.97Å; V388-L392 HydrophobicContact CG2-CG 4.13Å; V388-L392 PolarHBondContact O-N 3.01Å
389	K	91.9	Very high	94.4	Very high	14 Å²	14	22.3 Å²	22.3	6%	0.061	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-30.6	-169.2	77.5	179.3	-173.4	-176.6	0	114.7	Y297 F385 T386 Y509 E742	Y297-K389 HydrophobicContact CD2-CB 4.47Å; Y297-K389 HydrophobicContact CE2-CB 3.91Å; Y297-K389 VanDerWaalsContact CE2-O 3.28Å; Y297-K389 WeakPolarHBondContact CE2-O 3.45Å; Y297-K389 PolarHBondContact OH-O 2.95Å; F385-K389 HydrophobicContact CD1-CB 4.42Å; F385-K389 HydrophobicContact CE1-CB 3.89Å; F385-K389 HydrophobicContact CE1-CD 4.45Å; F385-K389 HydrophobicContact CZ-CB 3.94Å; F385-K389 PolarHBondContact O-N 3.33Å; T386-K389 HydrophobicContact CG2-CD 4.18Å; K389-Y509 HydrophobicContact CD-CE1 4.46Å; K389-Y509 PolarHBondContact NZ-OH 2.77Å; K389-E742 IonicContact NZ-OE1 2.86Å; K389-E742 PolarHBondContact NZ-OE1 3.12Å; K389-E742 IonicContact NZ-OE2 2.89Å; K389-E742 PolarHBondContact NZ-OE2 3.41Å
390	N	90.3	Very high	94.4	Very high	67 Å²	67	18.3 Å²	18.3	36%	0.358	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	7.6	178.5	-65.2	-15.5	0	0	0	114.6	V388 R519 I522	V388-N390 PolarHBondContact O-N 3.01Å; N390-R519 VanDerWaalsContact OD1-CD 3.22Å; N390-R519 WeakPolarHBondContact OD1-CD 3.18Å; N390-I522 HydrophobicContact CB-CG2 4.41Å; N390-I522 WeakPolarHBondContact O-CG2 3.48Å
391	R	89.5	Confident	94.4	Very high	73 Å²	73	18.3 Å²	18.3	28%	0.275	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-15.5	-178.3	-62.9	170.6	67.5	-145.2	3.7	113.2	N158 L161 S171 V388	N158-R391 PolarHBondContact ND2-O 3.21Å; L161-R391 HydrophobicContact CD1-CB 3.55Å; L161-R391 VanDerWaalsContact CD2-NH2 3.33Å; S171-R391 PolarHBondContact OG-NH1 2.83Å; V388-R391 WeakPolarHBondContact O-CA 3.4Å; V388-R391 PolarHBondContact O-N 3.35Å
392	L	90.4	Very high	94.4	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.09	C	C	.	.	S	Bend	trans	-74.3	145.8	167.9	-59.6	177.7	0	0	0	109.6	I156 C159 V388	I156-L392 HydrophobicContact CG2-CB 4.07Å; C159-L392 HydrophobicContact CB-CD2 4.46Å; V388-L392 HydrophobicContact CB-CG 4.37Å; V388-L392 HydrophobicContact CG2-CD1 3.97Å; V388-L392 HydrophobicContact CG2-CG 4.13Å; V388-L392 PolarHBondContact O-N 3.01Å
393	A	89.9	Confident	94.5	Very high	1 Å²	1	15 Å²	15	1%	0.008	8%	0.075	C	C	.	.			trans	-74.1	149.3	169.8	0	0	0	0	0	110.6	I156 P157 F398 L528	I156-A393 VanDerWaalsContact CG2-O 3.29Å; I156-A393 WeakPolarHBondContact CG2-O 3.39Å; P157-A393 HydrophobicContact CB-CB 3.69Å; P157-A393 HydrophobicContact CG-CB 3.81Å; P157-A393 PolarHBondContact O-N 3.32Å; A393-F398 HydrophobicContact CB-CE2 4.42Å; A393-L528 HydrophobicContact CB-CD2 3.87Å
394	A	92.1	Very high	94.5	Very high	7 Å²	7	14.3 Å²	14.3	6%	0.058	7%	0.072	C	C	.	.			trans	-135.4	139.1	177.3	0	0	0	0	0	110.8	T294 M295 L523	T294-A394 VanDerWaalsContact CB-CB 3.47Å; T294-A394 WeakPolarHBondContact O-CB 3.26Å; T294-A394 VanDerWaalsContact OG1-CA 3.29Å; T294-A394 WeakPolarHBondContact OG1-CA 3.15Å; T294-A394 WeakPolarHBondContact OG1-CB 3.46Å; M295-A394 HydrophobicContact CE-CB 3.79Å; M295-A394 HydrophobicContact CG-CB 4.15Å; M295-A394 HydrophobicContact SD-CB 4.33Å; A394-L523 HydrophobicContact CB-CD1 3.59Å; A394-L523 HydrophobicContact CB-CD2 3.9Å; A394-L523 HydrophobicContact CB-CG 4.42Å; A394-L523 VanDerWaalsContact N-CD1 3.32Å
395	K	93.3	Very high	94.6	Very high	48 Å²	48	14.3 Å²	14.3	21%	0.209	7%	0.071	C	C	.	.			trans	-153.6	154	173.8	-77.7	-169.1	166	-82	0	109.1	F146 E148 T294 G397 F398 L528	F146-K395 HydrophobicContact CD1-CD 3.82Å; F146-K395 HydrophobicContact CE1-CB 4.05Å; F146-K395 HydrophobicContact CE1-CD 3.94Å; E148-K395 HydrophobicContact CB-CD 4.33Å; E148-K395 HydrophobicContact CG-CB 4.18Å; E148-K395 WeakPolarHBondContact OE1-CA 3.27Å; E148-K395 WeakPolarHBondContact OE1-CB 3.43Å; E148-K395 WeakPolarHBondContact OE2-CG 3.39Å; E148-K395 IonicContact OE2-NZ 2.76Å; E148-K395 PolarHBondContact OE2-NZ 2.91Å; T294-K395 PolarHBondContact OG1-N 3.38Å; T294-K395 PolarHBondContact OG1-O 3.35Å; K395-G397 PolarHBondContact O-N 3.04Å; K395-F398 HydrophobicContact CB-CD1 4.12Å; K395-F398 HydrophobicContact CB-CD2 3.82Å; K395-F398 HydrophobicContact CB-CE1 4.08Å; K395-F398 HydrophobicContact CB-CE2 3.75Å; K395-F398 HydrophobicContact CB-CG 4.02Å; K395-F398 HydrophobicContact CB-CZ 3.9Å; K395-F398 HydrophobicContact CD-CE1 4.27Å; K395-F398 HydrophobicContact CD-CE2 4.1Å; K395-F398 HydrophobicContact CD-CZ 3.72Å; K395-F398 HydrophobicContact CG-CD2 4.39Å; K395-F398 HydrophobicContact CG-CE2 3.85Å; K395-F398 HydrophobicContact CG-CZ 3.98Å; K395-F398 PolarHBondContact O-N 3.24Å; K395-F398 VanDerWaalsContact O-N 3.09Å; K395-L528 HydrophobicContact CD-CD1 4.49Å
396	V	94.8	Very high	94.7	Very high	24 Å²	24	13.9 Å²	13.9	15%	0.145	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	117.2	167.6	-177.1	0	0	0	0	108.6	E148 G149 M295 F451 R455	E148-V396 HydrophobicContact CG-CB 3.83Å; E148-V396 HydrophobicContact CG-CG2 4.36Å; E148-V396 PolarHBondContact OE1-N 3.18Å; G149-V396 PolarHBondContact N-O 3.31Å; M295-V396 HydrophobicContact CB-CG2 4.06Å; V396-F451 HydrophobicContact CG1-CD2 4.16Å; V396-F451 HydrophobicContact CG1-CE2 4.26Å; V396-R455 HydrophobicContact CG1-CB 3.94Å
397	G	96	Very high	94.9	Very high	4 Å²	4	13 Å²	13	4%	0.041	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	10.3	-175.3	0	0	0	0	0	115.9	Q151 L152 V153 K395	Q151-G397 WeakPolarHBondContact O-CA 3.28Å; L152-G397 CarbonylContact C-O 3.57Å; L152-G397 WeakPolarHBondContact CA-O 3.36Å; V153-G397 PolarHBondContact N-O 2.84Å; K395-G397 PolarHBondContact O-N 3.04Å
398	F	96.9	Very high	95.1	Very high	1 Å²	1	12.9 Å²	12.9	0%	0.004	6%	0.063	C	C	.	.	B	Isolated β-bridge	trans	-93.2	125.9	161.4	-67.9	-5.5	0	0	0	110.3	Y143 F146 V153 I156 P157 T294 A393 K395 L528	Y143-F398 AromaticContact CD1-CE1 3.8Å; Y143-F398 HydrophobicContact CD1-CE1 3.8Å; Y143-F398 AromaticContact CD1-CZ 3.62Å; Y143-F398 HydrophobicContact CD1-CZ 3.62Å; Y143-F398 HydrophobicContact CE1-CE1 4.03Å; Y143-F398 HydrophobicContact CE1-CZ 4.06Å; F146-F398 HydrophobicContact CD1-CD1 4.44Å; F146-F398 AromaticContact CD1-CE1 3.57Å; F146-F398 HydrophobicContact CD1-CE1 3.57Å; F146-F398 HydrophobicContact CD1-CZ 4.16Å; F146-F398 HydrophobicContact CD2-CE1 4.11Å; F146-F398 AromaticContact CE1-CD1 3.89Å; F146-F398 HydrophobicContact CE1-CD1 3.89Å; F146-F398 AromaticContact CE1-CE1 3.44Å; F146-F398 HydrophobicContact CE1-CE1 3.44Å; F146-F398 VanDerWaalsContact CE1-CE1 3.44Å; F146-F398 HydrophobicContact CE1-CZ 4.27Å; F146-F398 HydrophobicContact CE2-CD1 4.2Å; F146-F398 HydrophobicContact CE2-CE1 4Å; F146-F398 AromaticContact CG-CE1 3.9Å; F146-F398 HydrophobicContact CG-CE1 3.9Å; F146-F398 AromaticContact CZ-CD1 3.75Å; F146-F398 HydrophobicContact CZ-CD1 3.75Å; F146-F398 AromaticContact CZ-CE1 3.67Å; F146-F398 HydrophobicContact CZ-CE1 3.67Å; V153-F398 HydrophobicContact CG2-CD1 3.42Å; V153-F398 VanDerWaalsContact CG2-CD1 3.42Å; V153-F398 HydrophobicContact CG2-CE1 3.75Å; V153-F398 HydrophobicContact CG2-CG 4.46Å; I156-F398 HydrophobicContact CG1-CB 4.19Å; P157-F398 HydrophobicContact CG-CD2 4.29Å; P157-F398 HydrophobicContact CG-CE2 3.57Å; P157-F398 HydrophobicContact CG-CZ 3.92Å; T294-F398 HydrophobicContact CG2-CB 4.12Å; A393-F398 HydrophobicContact CB-CE2 4.42Å; K395-F398 HydrophobicContact CB-CD1 4.12Å; K395-F398 HydrophobicContact CB-CD2 3.82Å; K395-F398 HydrophobicContact CB-CE1 4.08Å; K395-F398 HydrophobicContact CB-CE2 3.75Å; K395-F398 HydrophobicContact CB-CG 4.02Å; K395-F398 HydrophobicContact CB-CZ 3.9Å; K395-F398 HydrophobicContact CD-CE1 4.27Å; K395-F398 HydrophobicContact CD-CE2 4.1Å; K395-F398 HydrophobicContact CD-CZ 3.72Å; K395-F398 HydrophobicContact CG-CD2 4.39Å; K395-F398 HydrophobicContact CG-CE2 3.85Å; K395-F398 HydrophobicContact CG-CZ 3.98Å; K395-F398 PolarHBondContact O-N 3.24Å; K395-F398 VanDerWaalsContact O-N 3.09Å; F398-L528 HydrophobicContact CE2-CD2 4.27Å
399	F	97.9	Very high	95.3	Very high	1 Å²	1	13.6 Å²	13.6	0%	0.004	7%	0.067	C	C	.	.			trans	-135.8	161.5	168.6	80.8	-79.5	0	0	0	110.1	W134 L152 V153 N154 H155 L290 I291 S447	W134-F399 HydrophobicContact CE3-CE2 4.45Å; W134-F399 AromaticContact CE3-CZ 3.88Å; W134-F399 HydrophobicContact CE3-CZ 3.88Å; W134-F399 HydrophobicContact CH2-CE2 4.45Å; W134-F399 AromaticContact CZ3-CE2 3.78Å; W134-F399 HydrophobicContact CZ3-CE2 3.78Å; W134-F399 AromaticContact CZ3-CZ 3.65Å; W134-F399 HydrophobicContact CZ3-CZ 3.65Å; L152-F399 HydrophobicContact CD1-CD1 3.53Å; L152-F399 HydrophobicContact CD1-CE1 4.06Å; L152-F399 HydrophobicContact CD1-CG 4.44Å; L152-F399 HydrophobicContact CD2-CD1 4.45Å; L152-F399 HydrophobicContact CD2-CE1 4.28Å; L152-F399 HydrophobicContact CG-CD1 3.78Å; L152-F399 HydrophobicContact CG-CE1 3.76Å; V153-F399 VanDerWaalsContact C-CE1 3.5Å; V153-F399 WeakPolarHBondContact O-CD1 3.31Å; V153-F399 PolarHBondContact O-N 2.82Å; V153-F399 VanDerWaalsContact O-N 3.15Å; N154-F399 CarbonylContact C-O 3.56Å; N154-F399 VanDerWaalsContact CA-CE1 3.45Å; N154-F399 WeakPolarHBondContact CA-O 3.44Å; N154-F399 HydrophobicContact CB-CE1 3.78Å; N154-F399 HydrophobicContact CB-CE2 4.01Å; N154-F399 HydrophobicContact CB-CZ 3.46Å; N154-F399 VanDerWaalsContact CB-CZ 3.46Å; H155-F399 PolarHBondContact N-O 2.87Å; H155-F399 VanDerWaalsContact N-O 3.12Å; L290-F399 HydrophobicContact CD1-CD2 4.15Å; I291-F399 CarbonylContact O-C 3.57Å; I291-F399 WeakPolarHBondContact O-CA 3.26Å; I291-F399 WeakPolarHBondContact O-CB 3.32Å; F399-S447 WeakPolarHBondContact CB-OG 3.37Å; F399-S447 WeakPolarHBondContact CD2-OG 3.46Å; F399-S447 WeakPolarHBondContact CG-OG 3.35Å
400	E	97.7	Very high	95.5	Very high	3 Å²	3	16.5 Å²	16.5	1%	0.014	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	130.8	173	-176.9	130.5	-148.3	0	0	111.7	H155 I156 C159 I291 L402 S421	H155-E400 IonicContact CE1-OE1 2.65Å; H155-E400 IonicContact CG-OE1 2.6Å; H155-E400 IonicContact ND1-OE1 2.65Å; H155-E400 PolarHBondContact ND1-OE1 3.27Å; I156-E400 HydrophobicContact CD1-CB 3.77Å; I156-E400 HydrophobicContact CG1-CB 4Å; I156-E400 PolarHBondContact N-OE2 2.97Å; C159-E400 WeakPolarHBondContact CB-OE2 3.06Å; C159-E400 PolarHBondContact SG-OE2 3.48Å; I291-E400 PolarHBondContact N-O 2.89Å; I291-E400 PolarHBondContact O-N 2.85Å; E400-L402 HydrophobicContact CG-CD2 3.75Å; E400-L402 HydrophobicContact CG-CG 4.11Å; E400-S421 WeakPolarHBondContact OE1-CB 3.38Å
401	L	98.2	Very high	95.8	Very high	9 Å²	9	19 Å²	19	5%	0.047	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.8	169.2	-178.4	64.6	0	0	0	109.5	Y288 L290 P423 A443 W505	Y288-L401 HydrophobicContact CD1-CD1 4.1Å; Y288-L401 HydrophobicContact CD1-CG 4.32Å; L290-L401 HydrophobicContact CB-CD1 4.38Å; L290-L401 HydrophobicContact CD1-CB 4.42Å; L290-L401 HydrophobicContact CD1-CD1 4.49Å; L401-P423 HydrophobicContact CD2-CG 4.49Å; L401-P423 HydrophobicContact CG-CG 4.21Å; L401-P423 WeakPolarHBondContact O-CD 3.38Å; L401-A443 HydrophobicContact CD1-CB 4.34Å; L401-A443 HydrophobicContact CD2-CB 4.38Å; L401-W505 HydrophobicContact CD1-CH2 4.06Å
402	L	98.1	Very high	96.2	Very high	4 Å²	4	16 Å²	16	2%	0.021	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	147.5	177.9	-60.4	174.4	0	0	0	110.4	L162 T163 Y288 V289 I291 E400 L404 V419 N420	L162-L402 HydrophobicContact CD1-CD1 4.31Å; T163-L402 HydrophobicContact CG2-CD2 3.48Å; T163-L402 VanDerWaalsContact CG2-CD2 3.48Å; Y288-L402 WeakPolarHBondContact CA-O 3.24Å; V289-L402 HydrophobicContact CB-CB 4.29Å; V289-L402 PolarHBondContact N-O 3.41Å; V289-L402 PolarHBondContact O-N 2.84Å; I291-L402 HydrophobicContact CD1-CD1 4.33Å; E400-L402 HydrophobicContact CG-CD2 3.75Å; E400-L402 HydrophobicContact CG-CG 4.11Å; L402-L404 HydrophobicContact CB-CD1 3.74Å; L402-V419 HydrophobicContact CB-CG1 4.34Å; L402-V419 HydrophobicContact CD1-CG1 4.1Å; L402-V419 HydrophobicContact CD2-CG1 4.3Å; L402-V419 HydrophobicContact CG-CG1 4.5Å; L402-N420 WeakPolarHBondContact CA-O 3.49Å
403	G	97.7	Very high	96.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.7	164.6	0	0	0	0	0	110	C287 N420	C287-G403 CarbonylContact O-C 3.12Å; C287-G403 WeakPolarHBondContact O-CA 3.31Å; G403-N420 PolarHBondContact N-O 3.5Å; G403-N420 WeakPolarHBondContact O-CB 3.46Å; G403-N420 PolarHBondContact O-N 3.41Å
404	L	98	Very high	96.9	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.6	-177.3	-72.3	73.5	0	0	0	109.5	R286 C287 V289 I381 L402 F406 V419	R286-L404 WeakPolarHBondContact CA-O 3.33Å; C287-L404 PolarHBondContact N-O 2.84Å; C287-L404 VanDerWaalsContact N-O 3.08Å; C287-L404 PolarHBondContact O-N 3.36Å; V289-L404 HydrophobicContact CB-CD1 3.9Å; V289-L404 HydrophobicContact CG2-CD1 3.61Å; V289-L404 HydrophobicContact CG2-CD2 4.2Å; I381-L404 HydrophobicContact CB-CD2 4.4Å; I381-L404 HydrophobicContact CD1-CD2 4.05Å; I381-L404 HydrophobicContact CG1-CD2 3.7Å; I381-L404 HydrophobicContact CG2-CD2 3.99Å; L402-L404 HydrophobicContact CB-CD1 3.74Å; L404-F406 HydrophobicContact CB-CD2 4.22Å; L404-F406 HydrophobicContact CB-CE2 3.76Å; L404-F406 HydrophobicContact CD2-CE2 4.2Å; L404-V419 HydrophobicContact CD1-CG1 3.97Å; L404-V419 HydrophobicContact CD2-CG2 4.1Å; L404-V419 HydrophobicContact CG-CB 4.29Å; L404-V419 HydrophobicContact CG-CG1 3.92Å; L404-V419 HydrophobicContact CG-CG2 3.99Å
405	D	98	Very high	97.2	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.011	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	109.8	-170	-65.3	38.1	0	0	0	108	I285 R286 R307 L417 E418 N420	I285-D405 WeakPolarHBondContact O-CA 3.24Å; R286-D405 IonicContact CZ-OD1 2.95Å; R286-D405 IonicContact CZ-OD2 3.89Å; R286-D405 IonicContact NE-OD1 2.68Å; R286-D405 PolarHBondContact NE-OD1 3.35Å; R286-D405 IonicContact NE-OD2 3.87Å; R286-D405 VanDerWaalsContact NH2-CG 3.3Å; R286-D405 IonicContact NH2-OD1 3.26Å; R286-D405 PolarHBondContact NH2-OD1 3.03Å; R286-D405 IonicContact NH2-OD2 2.97Å; R286-D405 PolarHBondContact NH2-OD2 3.04Å; R307-D405 IonicContact CZ-OD2 3.85Å; R307-D405 IonicContact NH1-OD2 2.65Å; R307-D405 PolarHBondContact NH1-OD2 3.49Å; R307-D405 IonicContact NH2-OD2 2.73Å; R307-D405 PolarHBondContact NH2-OD2 3.32Å; D405-L417 WeakPolarHBondContact O-CB 3.06Å; D405-L417 PolarHBondContact O-N 3.32Å; D405-E418 HydrophobicContact CB-CG 3.95Å; D405-E418 PolarHBondContact N-O 3.19Å; D405-N420 PolarHBondContact OD1-ND2 2.98Å
406	F	98.5	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	150	-176.7	-75	-91.6	0	0	0	112	D284 I285 I377 I380 I381 L404 V414 W415 L416	D284-F406 CarbonylContact C-O 3.58Å; D284-F406 WeakPolarHBondContact CA-O 3.05Å; D284-F406 VanDerWaalsContact CB-O 3.3Å; D284-F406 WeakPolarHBondContact CB-O 2.95Å; I285-F406 HydrophobicContact CB-CB 4.22Å; I285-F406 PolarHBondContact N-O 3.29Å; I285-F406 PolarHBondContact O-N 3.43Å; I377-F406 HydrophobicContact CG1-CD1 4.48Å; I377-F406 HydrophobicContact CG1-CG 4.47Å; I377-F406 HydrophobicContact CG2-CD2 4.2Å; I377-F406 HydrophobicContact CG2-CE2 3.84Å; I377-F406 HydrophobicContact CG2-CZ 4.07Å; I380-F406 HydrophobicContact CB-CE1 4.05Å; I380-F406 HydrophobicContact CB-CZ 4.32Å; I380-F406 HydrophobicContact CD1-CE1 4.02Å; I380-F406 HydrophobicContact CG2-CE1 3.75Å; I380-F406 HydrophobicContact CG2-CZ 4.07Å; I381-F406 HydrophobicContact CD1-CE2 4.04Å; I381-F406 HydrophobicContact CD1-CZ 4.29Å; I381-F406 HydrophobicContact CG1-CE2 3.94Å; I381-F406 HydrophobicContact CG1-CZ 3.73Å; L404-F406 HydrophobicContact CB-CD2 4.22Å; L404-F406 HydrophobicContact CB-CE2 3.76Å; L404-F406 HydrophobicContact CD2-CE2 4.2Å; F406-V414 HydrophobicContact CD1-CG1 3.74Å; F406-V414 HydrophobicContact CE1-CG1 4.33Å; F406-W415 CarbonylContact C-O 3.45Å; F406-W415 VanDerWaalsContact CA-O 3.27Å; F406-W415 WeakPolarHBondContact CA-O 3.47Å; F406-L416 HydrophobicContact CD1-CB 4.08Å; F406-L416 HydrophobicContact CD1-CD1 4.37Å; F406-L416 HydrophobicContact CD2-CD1 4.42Å; F406-L416 HydrophobicContact CE1-CB 3.79Å; F406-L416 HydrophobicContact CE1-CD1 4.02Å; F406-L416 HydrophobicContact CE1-CG 4.46Å; F406-L416 HydrophobicContact CE2-CD1 4.05Å; F406-L416 HydrophobicContact CZ-CB 4.42Å; F406-L416 HydrophobicContact CZ-CD1 3.85Å
407	M	98.1	Very high	97.5	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.025	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	150.6	174.6	-167.5	155	-78.1	0	0	110.5	I272 P275 K282 F283 D284 W415 L417	I272-M407 HydrophobicContact CB-SD 4.28Å; I272-M407 HydrophobicContact CD1-CB 3.9Å; I272-M407 HydrophobicContact CD1-CG 3.98Å; I272-M407 HydrophobicContact CD1-SD 3.93Å; P275-M407 HydrophobicContact CB-SD 4.34Å; K282-M407 HydrophobicContact CD-CE 4.5Å; K282-M407 VanDerWaalsContact CE-SD 3.57Å; K282-M407 HydrophobicContact CG-CE 4.47Å; F283-M407 VanDerWaalsContact O-CE 3.31Å; F283-M407 WeakPolarHBondContact O-CE 3.47Å; D284-M407 HydrophobicContact CB-CE 3.94Å; M407-W415 PolarHBondContact N-O 2.77Å; M407-W415 PolarHBondContact O-N 3.12Å; M407-L417 HydrophobicContact CB-CD1 4.11Å; M407-L417 HydrophobicContact CB-CD2 4.02Å; M407-L417 HydrophobicContact CB-CG 4.16Å; M407-L417 HydrophobicContact CE-CD1 3.87Å; M407-L417 HydrophobicContact SD-CD1 4.49Å
408	L	97.8	Very high	97.5	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.6	174.3	-170.1	57.6	0	0	0	108.1	L276 F283 W368 L373 M412 K413 V414	L276-L408 HydrophobicContact CB-CB 4.33Å; L276-L408 HydrophobicContact CB-CG 4.21Å; L276-L408 HydrophobicContact CD2-CD2 3.59Å; L276-L408 HydrophobicContact CD2-CG 4.11Å; L276-L408 PolarHBondContact N-O 3.29Å; F283-L408 HydrophobicContact CE2-CB 4.39Å; F283-L408 HydrophobicContact CZ-CB 3.96Å; F283-L408 HydrophobicContact CZ-CD2 4.22Å; W368-L408 HydrophobicContact CH2-CD1 3.98Å; W368-L408 HydrophobicContact CH2-CD2 3.94Å; W368-L408 HydrophobicContact CZ3-CD2 3.88Å; L373-L408 HydrophobicContact CD1-CD1 4.44Å; L373-L408 HydrophobicContact CD2-CD2 4.47Å; L408-M412 VanDerWaalsContact CD1-C 3.43Å; L408-M412 HydrophobicContact CD1-CB 4.47Å; L408-M412 HydrophobicContact CD2-CE 4.01Å; L408-K413 WeakPolarHBondContact CD1-O 3.38Å; L408-V414 HydrophobicContact CD1-CG2 4.07Å
409	D	97.1	Very high	97.5	Very high	16 Å²	16	19.7 Å²	19.7	9%	0.086	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-95	171.3	173.2	69.1	22.8	0	0	0	112.8	I272 N274 N411 M412 K413 W415	I272-D409 HydrophobicContact CG2-CB 3.95Å; N274-D409 WeakPolarHBondContact O-CA 3.48Å; N274-D409 WeakPolarHBondContact O-CB 3.46Å; D409-N411 PolarHBondContact O-N 3.15Å; D409-N411 WeakPolarHBondContact OD1-CA 3.44Å; D409-N411 WeakPolarHBondContact OD1-CB 3.45Å; D409-N411 PolarHBondContact OD1-N 3.08Å; D409-M412 PolarHBondContact O-N 2.85Å; D409-M412 PolarHBondContact OD1-N 3.28Å; D409-K413 PolarHBondContact N-O 2.99Å; D409-K413 VanDerWaalsContact N-O 3.13Å; D409-K413 WeakPolarHBondContact OD1-CB 3.45Å; D409-K413 PolarHBondContact OD1-N 2.95Å; D409-K413 WeakPolarHBondContact OD2-CB 3.36Å; D409-W415 PolarHBondContact OD2-NE1 3.46Å
410	E	96.3	Very high	97.4	Very high	74 Å²	74	20.7 Å²	20.7	35%	0.346	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-20.8	178.8	74.1	-170	154.6	0	0	114.4	N274 K362 M412	N274-E410 HydrophobicContact CB-CB 4.29Å; N274-E410 HydrophobicContact CB-CG 4Å; N274-E410 VanDerWaalsContact CB-OE1 3.27Å; N274-E410 WeakPolarHBondContact CB-OE1 3.41Å; N274-E410 WeakPolarHBondContact CB-OE2 3.42Å; N274-E410 VanDerWaalsContact ND2-CD 3.32Å; N274-E410 PolarHBondContact ND2-OE1 3.36Å; N274-E410 PolarHBondContact ND2-OE2 2.88Å; N274-E410 PolarHBondContact O-N 3.5Å; K362-E410 WeakPolarHBondContact CE-O 3.47Å; K362-E410 PolarHBondContact NZ-O 3.18Å; K362-E410 VanDerWaalsContact NZ-O 3.14Å; E410-M412 VanDerWaalsContact C-N 3.34Å
411	N	96.3	Very high	97.2	Very high	119 Å²	119	22.7 Å²	22.7	64%	0.636	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	11.4	-179.4	-61.5	-64.5	0	0	0	111.9	D409 K413	D409-N411 PolarHBondContact O-N 3.15Å; D409-N411 WeakPolarHBondContact OD1-CA 3.44Å; D409-N411 WeakPolarHBondContact OD1-CB 3.45Å; D409-N411 PolarHBondContact OD1-N 3.08Å; N411-K413 PolarHBondContact O-N 3.05Å
412	M	96.8	Very high	97	Very high	10 Å²	10	24 Å²	24	5%	0.049	12%	0.122	C	C	.	.			trans	61.4	22.1	-179.1	-44	-60.7	-67.8	0	0	113.7	L276 I354 K362 L364 W368 R376 L408 D409 E410	L276-M412 HydrophobicContact CD1-SD 4.07Å; L276-M412 HydrophobicContact CD2-CE 4.07Å; L276-M412 HydrophobicContact CD2-SD 3.92Å; I354-M412 HydrophobicContact CD1-CE 4.2Å; K362-M412 HydrophobicContact CB-CG 4.43Å; K362-M412 HydrophobicContact CG-CG 4.36Å; K362-M412 HydrophobicContact CG-SD 4.19Å; L364-M412 HydrophobicContact CD1-CE 3.78Å; L364-M412 HydrophobicContact CD2-CG 4.4Å; W368-M412 HydrophobicContact CD2-CE 4.31Å; W368-M412 HydrophobicContact CE3-CE 3.8Å; W368-M412 HydrophobicContact CH2-CB 4.16Å; W368-M412 HydrophobicContact CH2-CE 3.55Å; W368-M412 HydrophobicContact CZ2-CB 3.97Å; W368-M412 HydrophobicContact CZ2-CE 4.05Å; W368-M412 HydrophobicContact CZ3-CE 3.38Å; R376-M412 PolarHBondContact NH1-O 3Å; L408-M412 VanDerWaalsContact CD1-C 3.43Å; L408-M412 HydrophobicContact CD1-CB 4.47Å; L408-M412 HydrophobicContact CD2-CE 4.01Å; D409-M412 PolarHBondContact O-N 2.85Å; D409-M412 PolarHBondContact OD1-N 3.28Å; E410-M412 VanDerWaalsContact C-N 3.34Å
413	K	97.2	Very high	96.8	Very high	67 Å²	67	24 Å²	24	29%	0.291	12%	0.123	S	C	.	.			trans	-85.2	137.8	173.1	176.1	177.8	178.7	177.8	0	110.3	D192 D193 L408 D409 N411 W415	D192-K413 PolarHBondContact O-NZ 3.42Å; D193-K413 WeakPolarHBondContact O-CE 3.36Å; L408-K413 WeakPolarHBondContact CD1-O 3.38Å; D409-K413 PolarHBondContact N-O 2.99Å; D409-K413 VanDerWaalsContact N-O 3.13Å; D409-K413 WeakPolarHBondContact OD1-CB 3.45Å; D409-K413 PolarHBondContact OD1-N 2.95Å; D409-K413 WeakPolarHBondContact OD2-CB 3.36Å; N411-K413 PolarHBondContact O-N 3.05Å; K413-W415 HydrophobicContact CD-CH2 4.15Å; K413-W415 HydrophobicContact CD-CZ2 3.56Å; K413-W415 VanDerWaalsContact CE-CZ2 3.45Å; K413-W415 HydrophobicContact CG-CZ2 4.34Å
414	V	98.1	Very high	96.5	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.042	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.4	-172.1	-177.8	0	0	0	0	109.7	L373 R376 I377 I380 F406 L408	L373-V414 HydrophobicContact CD1-CG2 3.46Å; L373-V414 VanDerWaalsContact CD1-CG2 3.46Å; R376-V414 HydrophobicContact CB-CG2 4.22Å; I377-V414 HydrophobicContact CG1-CG1 3.91Å; I380-V414 HydrophobicContact CD1-CB 4.08Å; I380-V414 HydrophobicContact CD1-CG1 3.8Å; F406-V414 HydrophobicContact CD1-CG1 3.74Å; F406-V414 HydrophobicContact CE1-CG1 4.33Å; L408-V414 HydrophobicContact CD1-CG2 4.07Å
415	W	98.5	Very high	96.3	Very high	39 Å²	39	26 Å²	26	15%	0.148	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.9	-176.8	-62.3	98.5	0	0	0	111.5	F194 P196 I272 F406 M407 D409 K413	F194-W415 CarbonylContact O-C 3.55Å; F194-W415 WeakPolarHBondContact O-CA 3.1Å; P196-W415 HydrophobicContact CB-CE3 4.3Å; P196-W415 HydrophobicContact CB-CZ3 4.47Å; P196-W415 HydrophobicContact CG-CB 4.17Å; P196-W415 HydrophobicContact CG-CD2 4.13Å; P196-W415 HydrophobicContact CG-CE3 3.74Å; P196-W415 HydrophobicContact CG-CG 4.37Å; P196-W415 HydrophobicContact CG-CZ3 4.39Å; I272-W415 HydrophobicContact CD1-CB 3.61Å; I272-W415 HydrophobicContact CD1-CD2 4.45Å; I272-W415 HydrophobicContact CD1-CG 3.65Å; I272-W415 HydrophobicContact CG1-CG 4.44Å; F406-W415 CarbonylContact C-O 3.45Å; F406-W415 VanDerWaalsContact CA-O 3.27Å; F406-W415 WeakPolarHBondContact CA-O 3.47Å; M407-W415 PolarHBondContact N-O 2.77Å; M407-W415 PolarHBondContact O-N 3.12Å; D409-W415 PolarHBondContact OD2-NE1 3.46Å; K413-W415 HydrophobicContact CD-CH2 4.15Å; K413-W415 HydrophobicContact CD-CZ2 3.56Å; K413-W415 VanDerWaalsContact CE-CZ2 3.45Å; K413-W415 HydrophobicContact CG-CZ2 4.34Å
416	L	98.5	Very high	96	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	125.2	167.6	176.6	63.5	0	0	0	109.8	L168 F194 F195 P196 I380 V384 F406 V419	L168-L416 HydrophobicContact CD2-CD2 4.27Å; F194-L416 HydrophobicContact CD2-CB 4.32Å; F194-L416 HydrophobicContact CE2-CD2 4.48Å; F194-L416 PolarHBondContact O-N 2.91Å; F195-L416 HydrophobicContact CD2-CB 4.34Å; F195-L416 HydrophobicContact CD2-CD2 4.44Å; F195-L416 HydrophobicContact CD2-CG 4.34Å; F195-L416 VanDerWaalsContact CD2-O 3.29Å; F195-L416 WeakPolarHBondContact CD2-O 3.42Å; P196-L416 WeakPolarHBondContact CD-O 3.23Å; I380-L416 HydrophobicContact CG2-CB 4.42Å; V384-L416 HydrophobicContact CG2-CD2 3.81Å; F406-L416 HydrophobicContact CD1-CB 4.08Å; F406-L416 HydrophobicContact CD1-CD1 4.37Å; F406-L416 HydrophobicContact CD2-CD1 4.42Å; F406-L416 HydrophobicContact CE1-CB 3.79Å; F406-L416 HydrophobicContact CE1-CD1 4.02Å; F406-L416 HydrophobicContact CE1-CG 4.46Å; F406-L416 HydrophobicContact CE2-CD1 4.05Å; F406-L416 HydrophobicContact CZ-CB 4.42Å; F406-L416 HydrophobicContact CZ-CD1 3.85Å; L416-V419 HydrophobicContact CD1-CG2 4.4Å; L416-V419 HydrophobicContact CD2-CG2 4.49Å
417	L	96.8	Very high	95.8	Very high	28 Å²	28	31.7 Å²	31.7	15%	0.147	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-44.5	178.4	-55.4	-175.7	0	0	0	112.5	I272 D405 M407	I272-L417 HydrophobicContact CD1-CD2 4.03Å; D405-L417 WeakPolarHBondContact O-CB 3.06Å; D405-L417 PolarHBondContact O-N 3.32Å; M407-L417 HydrophobicContact CB-CD1 4.11Å; M407-L417 HydrophobicContact CB-CD2 4.02Å; M407-L417 HydrophobicContact CB-CG 4.16Å; M407-L417 HydrophobicContact CE-CD1 3.87Å; M407-L417 HydrophobicContact SD-CD1 4.49Å
418	E	95.9	Very high	95.4	Very high	19 Å²	19	35.9 Å²	35.9	9%	0.089	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	161.3	177.7	54.4	178	-148.9	0	0	112.1	K165 D405 N420	K165-E418 WeakPolarHBondContact CE-OE2 3.16Å; K165-E418 IonicContact NZ-OE2 2.72Å; K165-E418 PolarHBondContact NZ-OE2 2.76Å; D405-E418 HydrophobicContact CB-CG 3.95Å; D405-E418 PolarHBondContact N-O 3.19Å; E418-N420 PolarHBondContact OE1-ND2 2.92Å; E418-N420 PolarHBondContact OE1-OD1 3.02Å
419	V	96.7	Very high	95.2	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.03	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133	166	-176.2	0	0	0	0	107.3	L162 T163 L168 L402 L404 L416	L162-V419 HydrophobicContact CB-CB 4.5Å; L162-V419 HydrophobicContact CB-CG1 4.27Å; T163-V419 WeakPolarHBondContact CA-O 3.34Å; T163-V419 HydrophobicContact CG2-CG1 4.07Å; L168-V419 HydrophobicContact CD1-CG2 4.48Å; L168-V419 HydrophobicContact CD2-CG2 4.26Å; L402-V419 HydrophobicContact CB-CG1 4.34Å; L402-V419 HydrophobicContact CD1-CG1 4.1Å; L402-V419 HydrophobicContact CD2-CG1 4.3Å; L402-V419 HydrophobicContact CG-CG1 4.5Å; L404-V419 HydrophobicContact CD1-CG1 3.97Å; L404-V419 HydrophobicContact CD2-CG2 4.1Å; L404-V419 HydrophobicContact CG-CB 4.29Å; L404-V419 HydrophobicContact CG-CG1 3.92Å; L404-V419 HydrophobicContact CG-CG2 3.99Å; L416-V419 HydrophobicContact CD1-CG2 4.4Å; L416-V419 HydrophobicContact CD2-CG2 4.49Å
420	N	95.1	Very high	95.1	Very high	22 Å²	22	38.8 Å²	38.8	12%	0.118	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.7	-179.3	-73.4	-78.2	0	0	0	110.8	L402 G403 D405 E418	L402-N420 WeakPolarHBondContact CA-O 3.49Å; G403-N420 PolarHBondContact N-O 3.5Å; G403-N420 WeakPolarHBondContact O-CB 3.46Å; G403-N420 PolarHBondContact O-N 3.41Å; D405-N420 PolarHBondContact OD1-ND2 2.98Å; E418-N420 PolarHBondContact OE1-ND2 2.92Å; E418-N420 PolarHBondContact OE1-OD1 3.02Å
421	S	93.7	Very high	95	Very high	44 Å²	44	36.2 Å²	36.2	31%	0.308	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	157.4	157.7	40.4	0	0	0	0	110	E400	E400-S421 WeakPolarHBondContact OE1-CB 3.38Å
422	N	93.4	Very high	95	Very high	36 Å²	36	30.9 Å²	30.9	19%	0.193	17%	0.165	C	C	.	.	S	Bend	trans	46.4	57.8	-176.3	-172.9	28.1	0	0	0	112.5	N106 E136	N106-N422 PolarHBondContact ND2-O 2.69Å; N106-N422 PolarHBondContact ND2-OD1 3.45Å; E136-N422 VanDerWaalsContact CA-ND2 3.34Å; E136-N422 WeakPolarHBondContact CA-ND2 3.19Å; E136-N422 WeakPolarHBondContact CB-ND2 3.48Å; E136-N422 WeakPolarHBondContact O-CB 3.23Å; E136-N422 PolarHBondContact O-ND2 3.24Å
423	P	94.4	Very high	95	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.032	19%	0.186	C	C	.	.			trans	-60.4	143.5	-176.6	27.2	-36.2	0	0	0	111.4	N106 Y288 L401 L425	N106-P423 PolarHBondContact ND2-O 3.17Å; Y288-P423 HydrophobicContact CD1-CB 4.45Å; Y288-P423 HydrophobicContact CD1-CG 4.08Å; Y288-P423 HydrophobicContact CE1-CB 3.96Å; Y288-P423 HydrophobicContact CE1-CG 3.83Å; L401-P423 HydrophobicContact CD2-CG 4.49Å; L401-P423 HydrophobicContact CG-CG 4.21Å; L401-P423 WeakPolarHBondContact O-CD 3.38Å; P423-L425 WeakPolarHBondContact O-CD2 3.22Å; P423-L425 WeakPolarHBondContact O-CG 3.2Å; P423-L425 PolarHBondContact O-N 3.25Å
424	A	92.2	Very high	95	Very high	46 Å²	46	39 Å²	39	38%	0.38	20%	0.202	S	C	.	.			trans	-56.9	124.3	-176.4	0	0	0	0	0	112.5	N106	N106-A424 WeakPolarHBondContact OD1-CA 3.38Å
425	L	93.3	Very high	94.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.206	C	C	.	.			trans	-105.8	25	-176.9	-53.8	-179.7	0	0	0	112.8	N106 N107 L110 I111 P423 V436 V440	N106-L425 PolarHBondContact OD1-N 2.85Å; N107-L425 HydrophobicContact CB-CB 4.14Å; N107-L425 WeakPolarHBondContact CB-O 3.34Å; N107-L425 PolarHBondContact ND2-O 2.83Å; L110-L425 HydrophobicContact CD1-CB 4.38Å; I111-L425 HydrophobicContact CD1-CD1 3.87Å; P423-L425 WeakPolarHBondContact O-CD2 3.22Å; P423-L425 WeakPolarHBondContact O-CG 3.2Å; P423-L425 PolarHBondContact O-N 3.25Å; L425-V436 HydrophobicContact CB-CG1 3.95Å; L425-V436 HydrophobicContact CD2-CG1 4.09Å; L425-V440 HydrophobicContact CD1-CG2 3.83Å; L425-V440 HydrophobicContact CD2-CG2 3.77Å; L425-V440 HydrophobicContact CG-CG2 4.29Å
426	Q	91.9	Very high	94.8	Very high	81 Å²	81	37.8 Å²	37.8	38%	0.379	20%	0.199	S	C	.	.			trans	-75.4	137	-177.8	-73	-175.6	-10.2	0	0	112.3	H428 L432	Q426-H428 VanDerWaalsContact CD-NE2 3.31Å; Q426-H428 PolarHBondContact OE1-CD2 2.96Å; Q426-H428 PolarHBondContact OE1-NE2 2.89Å; Q426-L432 WeakPolarHBondContact O-CD1 3.36Å
427	T	93.4	Very high	94.7	Very high	39 Å²	39	39.8 Å²	39.8	24%	0.239	21%	0.212	C	C	.	.			trans	-113.1	38.9	-172.6	49	0	0	0	0	113.4	L110 K433 V436 P437	L110-T427 HydrophobicContact CD1-CG2 4.21Å; T427-K433 WeakPolarHBondContact O-CG 3.21Å; T427-V436 HydrophobicContact CG2-CB 4.13Å; T427-V436 HydrophobicContact CG2-CG1 4.41Å; T427-P437 HydrophobicContact CG2-CG 4.15Å
428	H	91.2	Very high	94.7	Very high	94 Å²	94	42 Å²	42	44%	0.435	23%	0.227	S	C	.	.			trans	-80.7	-22.9	-170.5	-56.7	-62.8	0	0	0	115.9	K331 Q426	K331-H428 PolarHBondContact NZ-CD2 3.43Å; K331-H428 PolarHBondContact NZ-NE2 2.88Å; Q426-H428 VanDerWaalsContact CD-NE2 3.31Å; Q426-H428 PolarHBondContact OE1-CD2 2.96Å; Q426-H428 PolarHBondContact OE1-NE2 2.89Å
429	C	91.9	Very high	94.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	22%	0.222	C	C	.	.	S	Bend	trans	-111.3	153.6	177.9	-48.5	0	0	0	0	108.7	K340 N341 V344 V431 L432 K433	K340-C429 PolarHBondContact O-SG 3.4Å; N341-C429 VanDerWaalsContact OD1-CA 3.31Å; N341-C429 WeakPolarHBondContact OD1-CA 3.49Å; N341-C429 WeakPolarHBondContact OD1-CB 3.43Å; V344-C429 HydrophobicContact CB-CB 4.28Å; V344-C429 HydrophobicContact CG2-CB 4.11Å; C429-V431 PolarHBondContact O-N 3.25Å; C429-L432 HydrophobicContact CB-CD1 4.13Å; C429-L432 HydrophobicContact CB-CG 4.23Å; C429-L432 WeakPolarHBondContact O-CA 3.38Å; C429-L432 VanDerWaalsContact O-CB 3.31Å; C429-L432 WeakPolarHBondContact O-CB 3.17Å; C429-L432 PolarHBondContact O-N 2.94Å; C429-K433 PolarHBondContact O-N 3.08Å; C429-K433 VanDerWaalsContact O-N 3.11Å
430	D	94.7	Very high	94.7	Very high	78 Å²	78	40.9 Å²	40.9	42%	0.417	22%	0.221	S	C	.	.	H	α-helix	trans	-64.9	-40.1	-167.3	-62	-50.7	0	0	0	113.6	N341 L432 K433 E434	N341-D430 PolarHBondContact ND2-OD2 3.24Å; N341-D430 PolarHBondContact OD1-N 2.95Å; N341-D430 PolarHBondContact OD1-OD2 2.87Å; D430-L432 PolarHBondContact O-N 3.43Å; D430-K433 WeakPolarHBondContact O-CB 3.24Å; D430-K433 PolarHBondContact O-N 3.5Å; D430-K433 WeakPolarHBondContact OD1-CD 3.25Å; D430-K433 VanDerWaalsContact OD1-CE 3.31Å; D430-K433 WeakPolarHBondContact OD1-CE 3.33Å; D430-K433 IonicContact OD1-NZ 3.56Å; D430-K433 PolarHBondContact OD1-NZ 3.4Å; D430-E434 PolarHBondContact O-N 2.87Å; D430-E434 VanDerWaalsContact O-N 3.12Å
431	V	96	Very high	94.8	Very high	20 Å²	20	43.4 Å²	43.4	12%	0.121	23%	0.231	C	C	.	.	H	α-helix	trans	-57.5	-30.7	170.4	179.6	0	0	0	0	112.5	V344 C429 V435	V344-V431 HydrophobicContact CG1-CB 3.98Å; V344-V431 HydrophobicContact CG1-CG1 4.01Å; C429-V431 PolarHBondContact O-N 3.25Å; V431-V435 HydrophobicContact CG1-CG2 4.31Å; V431-V435 WeakPolarHBondContact O-CB 3.49Å; V431-V435 WeakPolarHBondContact O-CG2 3.36Å; V431-V435 PolarHBondContact O-N 2.7Å
432	L	96.4	Very high	94.9	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-77.1	-31.8	176.4	-58.2	176.5	0	0	0	112.1	Y305 V344 Q426 C429 D430 E434 V436	Y305-L432 HydrophobicContact CD1-CD2 3.78Å; Y305-L432 HydrophobicContact CD2-CD2 3.82Å; Y305-L432 HydrophobicContact CE1-CD2 3.57Å; Y305-L432 HydrophobicContact CE2-CD2 3.6Å; Y305-L432 HydrophobicContact CG-CD2 3.9Å; Y305-L432 VanDerWaalsContact CZ-CD2 3.48Å; V344-L432 HydrophobicContact CG1-CD2 3.82Å; V344-L432 HydrophobicContact CG1-CG 4.04Å; V344-L432 HydrophobicContact CG2-CD1 4.1Å; V344-L432 HydrophobicContact CG2-CD2 4.47Å; V344-L432 HydrophobicContact CG2-CG 4.23Å; Q426-L432 WeakPolarHBondContact O-CD1 3.36Å; C429-L432 HydrophobicContact CB-CD1 4.13Å; C429-L432 HydrophobicContact CB-CG 4.23Å; C429-L432 WeakPolarHBondContact O-CA 3.38Å; C429-L432 VanDerWaalsContact O-CB 3.31Å; C429-L432 WeakPolarHBondContact O-CB 3.17Å; C429-L432 PolarHBondContact O-N 2.94Å; D430-L432 PolarHBondContact O-N 3.43Å; L432-E434 VanDerWaalsContact C-N 3.3Å; L432-V436 HydrophobicContact CB-CG2 4.25Å; L432-V436 HydrophobicContact CD2-CG2 4.24Å; L432-V436 VanDerWaalsContact O-CB 3.27Å; L432-V436 WeakPolarHBondContact O-CB 3.43Å; L432-V436 WeakPolarHBondContact O-CG2 3.31Å; L432-V436 PolarHBondContact O-N 3.28Å; L432-V436 VanDerWaalsContact O-N 3.08Å
433	K	96.2	Very high	95.1	Very high	113 Å²	113	40.8 Å²	40.8	49%	0.491	21%	0.214	S	C	.	.	H	α-helix	trans	-66.7	-34.3	173.8	-60.3	173.3	-171.3	166.5	0	111.6	T427 C429 D430 P437	T427-K433 WeakPolarHBondContact O-CG 3.21Å; C429-K433 PolarHBondContact O-N 3.08Å; C429-K433 VanDerWaalsContact O-N 3.11Å; D430-K433 WeakPolarHBondContact O-CB 3.24Å; D430-K433 PolarHBondContact O-N 3.5Å; D430-K433 WeakPolarHBondContact OD1-CD 3.25Å; D430-K433 VanDerWaalsContact OD1-CE 3.31Å; D430-K433 WeakPolarHBondContact OD1-CE 3.33Å; D430-K433 IonicContact OD1-NZ 3.56Å; D430-K433 PolarHBondContact OD1-NZ 3.4Å; K433-P437 WeakPolarHBondContact O-CD 3.34Å; K433-P437 VanDerWaalsContact O-CG 3.28Å; K433-P437 WeakPolarHBondContact O-CG 3.15Å
434	E	96.1	Very high	95.2	Very high	134 Å²	134	40.6 Å²	40.6	63%	0.626	21%	0.212	S	C	*	.	H	α-helix	trans	-71.6	-59.1	174.5	-174.2	-172.2	167.2	0	0	111.2	D430 L432 V438	D430-E434 PolarHBondContact O-N 2.87Å; D430-E434 VanDerWaalsContact O-N 3.12Å; L432-E434 VanDerWaalsContact C-N 3.3Å; E434-V438 WeakPolarHBondContact O-CG2 3.29Å
435	V	96.6	Very high	95.3	Very high	21 Å²	21	39.7 Å²	39.7	13%	0.127	20%	0.2	C	C	.	.	H	α-helix	trans	-76.3	-43.2	-168.1	174.9	0	0	0	0	113.7	Y305 V431 V439	Y305-V435 HydrophobicContact CD1-CG1 4.28Å; V431-V435 HydrophobicContact CG1-CG2 4.31Å; V431-V435 WeakPolarHBondContact O-CB 3.49Å; V431-V435 WeakPolarHBondContact O-CG2 3.36Å; V431-V435 PolarHBondContact O-N 2.7Å; V435-V439 HydrophobicContact CG1-CG2 4.08Å; V435-V439 VanDerWaalsContact O-CG2 3.32Å; V435-V439 WeakPolarHBondContact O-CG2 3.29Å; V435-V439 PolarHBondContact O-N 3.3Å; V435-V439 VanDerWaalsContact O-N 3.13Å
436	V	97	Very high	95.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-71.6	-44.3	-166.5	-179.7	0	0	0	0	113.4	L110 Y305 L425 T427 L432 V438 V439 V440	L110-V436 HydrophobicContact CD1-CG1 3.98Å; Y305-V436 HydrophobicContact CE1-CG2 4.25Å; L425-V436 HydrophobicContact CB-CG1 3.95Å; L425-V436 HydrophobicContact CD2-CG1 4.09Å; T427-V436 HydrophobicContact CG2-CB 4.13Å; T427-V436 HydrophobicContact CG2-CG1 4.41Å; L432-V436 HydrophobicContact CB-CG2 4.25Å; L432-V436 HydrophobicContact CD2-CG2 4.24Å; L432-V436 VanDerWaalsContact O-CB 3.27Å; L432-V436 WeakPolarHBondContact O-CB 3.43Å; L432-V436 WeakPolarHBondContact O-CG2 3.31Å; L432-V436 PolarHBondContact O-N 3.28Å; L432-V436 VanDerWaalsContact O-N 3.08Å; V436-V438 VanDerWaalsContact C-N 3.34Å; V436-V438 PolarHBondContact O-N 3.34Å; V436-V439 PolarHBondContact O-N 3.06Å; V436-V440 HydrophobicContact CG1-CG2 4.31Å; V436-V440 WeakPolarHBondContact O-CG2 3.23Å; V436-V440 PolarHBondContact O-N 3.05Å
437	P	96.9	Very high	95.7	Very high	43 Å²	43	36 Å²	36	28%	0.279	18%	0.183	S	C	.	.	H	α-helix	trans	-62.2	-39.4	178.3	-24.7	37.1	0	0	0	113	L110 T427 K433 V440 K441	L110-P437 HydrophobicContact CD2-CB 4.17Å; L110-P437 HydrophobicContact CD2-CG 4.04Å; T427-P437 HydrophobicContact CG2-CG 4.15Å; K433-P437 WeakPolarHBondContact O-CD 3.34Å; K433-P437 VanDerWaalsContact O-CG 3.28Å; K433-P437 WeakPolarHBondContact O-CG 3.15Å; P437-V440 PolarHBondContact O-N 3.09Å; P437-K441 WeakPolarHBondContact O-CB 3.29Å; P437-K441 PolarHBondContact O-N 3.18Å
438	V	95.6	Very high	95.8	Very high	74 Å²	74	34.7 Å²	34.7	45%	0.448	17%	0.174	S	C	.	.	H	α-helix	trans	-62.2	-51.9	176.3	178.8	0	0	0	0	110.3	E434 V436 V440 K441 D442	E434-V438 WeakPolarHBondContact O-CG2 3.29Å; V436-V438 VanDerWaalsContact C-N 3.34Å; V436-V438 PolarHBondContact O-N 3.34Å; V438-V440 VanDerWaalsContact C-N 3.27Å; V438-V440 PolarHBondContact O-N 2.84Å; V438-K441 PolarHBondContact O-N 3.28Å; V438-K441 VanDerWaalsContact O-N 3.17Å; V438-D442 WeakPolarHBondContact CG1-OD2 3.48Å; V438-D442 WeakPolarHBondContact O-CB 3.48Å; V438-D442 PolarHBondContact O-N 3.13Å
439	V	97.1	Very high	96	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.7	-39	176.8	168.3	0	0	0	0	112.3	Y288 H302 V435 V436 A443 W505	Y288-V439 HydrophobicContact CD1-CG1 3.92Å; Y288-V439 HydrophobicContact CD2-CG1 3.99Å; Y288-V439 HydrophobicContact CD2-CG2 4.33Å; Y288-V439 HydrophobicContact CE1-CG1 4.19Å; Y288-V439 HydrophobicContact CE2-CG1 4.27Å; Y288-V439 HydrophobicContact CG-CG1 3.8Å; H302-V439 VanDerWaalsContact CE1-CG2 3.44Å; H302-V439 WeakPolarHBondContact CE1-CG2 3.32Å; H302-V439 WeakPolarHBondContact ND1-CG2 3.29Å; V435-V439 HydrophobicContact CG1-CG2 4.08Å; V435-V439 VanDerWaalsContact O-CG2 3.32Å; V435-V439 WeakPolarHBondContact O-CG2 3.29Å; V435-V439 PolarHBondContact O-N 3.3Å; V435-V439 VanDerWaalsContact O-N 3.13Å; V436-V439 PolarHBondContact O-N 3.06Å; V439-A443 WeakPolarHBondContact O-CB 3.39Å; V439-A443 PolarHBondContact O-N 2.98Å; V439-A443 VanDerWaalsContact O-N 3.08Å; V439-W505 HydrophobicContact CB-CZ2 4.39Å; V439-W505 HydrophobicContact CG1-CH2 4.2Å; V439-W505 HydrophobicContact CG1-CZ2 3.94Å
440	V	96.7	Very high	96.1	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-71.4	-43.2	178	172.5	0	0	0	0	111.8	L110 I111 L425 V436 P437 V438 L444	L110-V440 HydrophobicContact CB-CG1 4.18Å; L110-V440 HydrophobicContact CD1-CG2 4.39Å; I111-V440 HydrophobicContact CD1-CG1 4.24Å; I111-V440 HydrophobicContact CG1-CG1 4.01Å; L425-V440 HydrophobicContact CD1-CG2 3.83Å; L425-V440 HydrophobicContact CD2-CG2 3.77Å; L425-V440 HydrophobicContact CG-CG2 4.29Å; V436-V440 HydrophobicContact CG1-CG2 4.31Å; V436-V440 WeakPolarHBondContact O-CG2 3.23Å; V436-V440 PolarHBondContact O-N 3.05Å; P437-V440 PolarHBondContact O-N 3.09Å; V438-V440 VanDerWaalsContact C-N 3.27Å; V438-V440 PolarHBondContact O-N 2.84Å; V440-L444 HydrophobicContact CG1-CD1 4.11Å; V440-L444 WeakPolarHBondContact O-CG 3.3Å; V440-L444 PolarHBondContact O-N 3.13Å; V440-L444 VanDerWaalsContact O-N 3.09Å
441	K	95.8	Very high	96.2	Very high	74 Å²	74	27 Å²	27	32%	0.322	14%	0.136	S	C	.	.	H	α-helix	trans	-64.1	-51.8	179	-177.5	163.5	-179	160.8	0	111.4	V114 E117 P437 V438 A443 L444 H445	V114-K441 HydrophobicContact CG1-CG 4.24Å; V114-K441 HydrophobicContact CG2-CB 3.83Å; V114-K441 HydrophobicContact CG2-CD 4.36Å; V114-K441 HydrophobicContact CG2-CG 4.01Å; E117-K441 IonicContact OE2-NZ 3.4Å; E117-K441 PolarHBondContact OE2-NZ 2.88Å; P437-K441 WeakPolarHBondContact O-CB 3.29Å; P437-K441 PolarHBondContact O-N 3.18Å; V438-K441 PolarHBondContact O-N 3.28Å; V438-K441 VanDerWaalsContact O-N 3.17Å; K441-A443 VanDerWaalsContact C-N 3.34Å; K441-A443 PolarHBondContact O-N 2.66Å; K441-L444 PolarHBondContact O-N 2.95Å; K441-H445 WeakPolarHBondContact O-CB 3.35Å; K441-H445 PolarHBondContact O-CD2 3.18Å; K441-H445 PolarHBondContact O-N 2.85Å
442	D	95.8	Very high	96	Very high	26 Å²	26	26.9 Å²	26.9	14%	0.139	13%	0.134	C	C	.	.	H	α-helix	trans	-60	-44.2	177.4	-68.4	-17.5	0	0	0	111.5	V438 L444 H445 I446 P502 W505	V438-D442 WeakPolarHBondContact CG1-OD2 3.48Å; V438-D442 WeakPolarHBondContact O-CB 3.48Å; V438-D442 PolarHBondContact O-N 3.13Å; D442-L444 VanDerWaalsContact C-N 3.32Å; D442-L444 PolarHBondContact O-N 2.84Å; D442-H445 PolarHBondContact O-N 3.46Å; D442-I446 HydrophobicContact CB-CD1 4.33Å; D442-I446 WeakPolarHBondContact O-CB 3.27Å; D442-I446 WeakPolarHBondContact O-CD1 3.42Å; D442-I446 WeakPolarHBondContact O-CG1 3.41Å; D442-I446 PolarHBondContact O-N 3.43Å; D442-P502 HydrophobicContact CB-CB 4.47Å; D442-W505 HydrophobicContact CB-CZ2 4.27Å; D442-W505 PolarHBondContact OD2-NE1 2.85Å
443	A	97.1	Very high	95.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-40.7	179.8	0	0	0	0	0	112.5	L290 L401 V439 K441 S447 W505	L290-A443 HydrophobicContact CD1-CB 4.04Å; L290-A443 HydrophobicContact CD2-CB 3.99Å; L401-A443 HydrophobicContact CD1-CB 4.34Å; L401-A443 HydrophobicContact CD2-CB 4.38Å; V439-A443 WeakPolarHBondContact O-CB 3.39Å; V439-A443 PolarHBondContact O-N 2.98Å; V439-A443 VanDerWaalsContact O-N 3.08Å; K441-A443 VanDerWaalsContact C-N 3.34Å; K441-A443 PolarHBondContact O-N 2.66Å; A443-S447 VanDerWaalsContact O-CB 3.26Å; A443-S447 WeakPolarHBondContact O-CB 3.34Å; A443-S447 PolarHBondContact O-N 2.84Å; A443-S447 PolarHBondContact O-OG 2.95Å; A443-W505 HydrophobicContact CB-CH2 4.28Å; A443-W505 HydrophobicContact CB-CZ2 4.21Å
444	L	96.4	Very high	95.7	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-65.1	-46.3	172.5	-76.8	165.6	0	0	0	111.5	I111 V114 M115 L132 W134 V440 K441 D442 S447 I448	I111-L444 HydrophobicContact CB-CD1 4.43Å; I111-L444 HydrophobicContact CG1-CD1 4.32Å; I111-L444 HydrophobicContact CG2-CD1 4.12Å; V114-L444 HydrophobicContact CB-CD1 3.83Å; V114-L444 HydrophobicContact CG1-CB 4.08Å; V114-L444 HydrophobicContact CG1-CD1 3.69Å; V114-L444 HydrophobicContact CG2-CD1 4.39Å; M115-L444 HydrophobicContact SD-CD1 4.37Å; M115-L444 HydrophobicContact SD-CD2 4.08Å; L132-L444 HydrophobicContact CD1-CD2 4.04Å; W134-L444 HydrophobicContact CE3-CD2 3.85Å; W134-L444 HydrophobicContact CZ3-CD2 3.61Å; W134-L444 HydrophobicContact CZ3-CG 4.11Å; V440-L444 HydrophobicContact CG1-CD1 4.11Å; V440-L444 WeakPolarHBondContact O-CG 3.3Å; V440-L444 PolarHBondContact O-N 3.13Å; V440-L444 VanDerWaalsContact O-N 3.09Å; K441-L444 PolarHBondContact O-N 2.95Å; D442-L444 VanDerWaalsContact C-N 3.32Å; D442-L444 PolarHBondContact O-N 2.84Å; L444-S447 PolarHBondContact O-N 3.2Å; L444-I448 WeakPolarHBondContact O-CB 3.08Å; L444-I448 WeakPolarHBondContact O-CD1 3.41Å; L444-I448 VanDerWaalsContact O-CG1 3.23Å; L444-I448 WeakPolarHBondContact O-CG1 3.4Å; L444-I448 PolarHBondContact O-N 3.43Å
445	H	95.3	Very high	95.5	Very high	27 Å²	27	18.7 Å²	18.7	13%	0.125	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-51	-179.6	-77.7	-144.7	0	0	0	111.7	K441 D442 S447 I448 E449 L466	K441-H445 WeakPolarHBondContact O-CB 3.35Å; K441-H445 PolarHBondContact O-CD2 3.18Å; K441-H445 PolarHBondContact O-N 2.85Å; D442-H445 PolarHBondContact O-N 3.46Å; H445-S447 PolarHBondContact O-N 3.01Å; H445-I448 PolarHBondContact O-N 3.1Å; H445-E449 WeakPolarHBondContact O-CB 3.39Å; H445-E449 PolarHBondContact O-N 3.42Å; H445-L466 HydrophobicContact CB-CD1 4.1Å; H445-L466 HydrophobicContact CB-CG 4.03Å
446	I	95.7	Very high	95.3	Very high	4 Å²	4	20 Å²	20	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-60.9	-46.1	178.3	-63.2	164.3	0	0	0	110.5	L290 A292 F300 D442 E449 C450 L463 P502 W505	L290-I446 HydrophobicContact CD2-CB 4.01Å; L290-I446 HydrophobicContact CD2-CD1 4.17Å; L290-I446 HydrophobicContact CD2-CG2 3.99Å; A292-I446 HydrophobicContact CB-CG2 3.73Å; F300-I446 HydrophobicContact CD2-CG2 4.01Å; F300-I446 HydrophobicContact CE2-CG2 3.5Å; F300-I446 HydrophobicContact CZ-CG2 4.18Å; D442-I446 HydrophobicContact CB-CD1 4.33Å; D442-I446 WeakPolarHBondContact O-CB 3.27Å; D442-I446 WeakPolarHBondContact O-CD1 3.42Å; D442-I446 WeakPolarHBondContact O-CG1 3.41Å; D442-I446 PolarHBondContact O-N 3.43Å; I446-E449 PolarHBondContact O-N 3.25Å; I446-C450 VanDerWaalsContact O-CB 3.24Å; I446-C450 WeakPolarHBondContact O-CB 3.23Å; I446-C450 PolarHBondContact O-N 3.5Å; I446-C450 PolarHBondContact O-SG 2.62Å; I446-L463 HydrophobicContact CG1-CD1 4.1Å; I446-L463 HydrophobicContact CG2-CD1 4.13Å; I446-P502 HydrophobicContact CD1-CG 4.05Å; I446-P502 HydrophobicContact CG1-CG 4.15Å; I446-W505 HydrophobicContact CD1-CD2 4.37Å; I446-W505 HydrophobicContact CD1-CG 4.37Å
447	S	97.2	Very high	94.8	Very high	1 Å²	1	29 Å²	29	1%	0.007	14%	0.143	C	C	.	.	H	α-helix	trans	-68.5	-36.4	-179.3	-80.4	0	0	0	0	113.5	A292 F399 A443 L444 H445 F451	A292-S447 PolarHBondContact O-OG 3.49Å; F399-S447 WeakPolarHBondContact CB-OG 3.37Å; F399-S447 WeakPolarHBondContact CD2-OG 3.46Å; F399-S447 WeakPolarHBondContact CG-OG 3.35Å; A443-S447 VanDerWaalsContact O-CB 3.26Å; A443-S447 WeakPolarHBondContact O-CB 3.34Å; A443-S447 PolarHBondContact O-N 2.84Å; A443-S447 PolarHBondContact O-OG 2.95Å; L444-S447 PolarHBondContact O-N 3.2Å; H445-S447 PolarHBondContact O-N 3.01Å; S447-F451 VanDerWaalsContact O-CB 3.26Å; S447-F451 WeakPolarHBondContact O-CB 3.45Å; S447-F451 PolarHBondContact O-N 2.85Å
448	I	95.9	Very high	94.5	Very high	10 Å²	10	31.4 Å²	31.4	5%	0.051	15%	0.149	C	C	.	.	H	α-helix	trans	-66.8	-44.9	173.4	-69.1	166.2	0	0	0	110.1	M115 L118 W120 L132 L152 L444 H445 C450 F451 E452 L466	M115-I448 HydrophobicContact CE-CD1 4.15Å; M115-I448 HydrophobicContact SD-CD1 4.27Å; L118-I448 HydrophobicContact CD1-CD1 3.82Å; W120-I448 HydrophobicContact CH2-CD1 4.48Å; W120-I448 HydrophobicContact CZ2-CD1 4.13Å; W120-I448 HydrophobicContact CZ2-CG1 4.46Å; W120-I448 HydrophobicContact CZ2-CG2 4.24Å; L132-I448 HydrophobicContact CD1-CD1 4.49Å; L152-I448 HydrophobicContact CD2-CG1 3.88Å; L444-I448 WeakPolarHBondContact O-CB 3.08Å; L444-I448 WeakPolarHBondContact O-CD1 3.41Å; L444-I448 VanDerWaalsContact O-CG1 3.23Å; L444-I448 WeakPolarHBondContact O-CG1 3.4Å; L444-I448 PolarHBondContact O-N 3.43Å; H445-I448 PolarHBondContact O-N 3.1Å; I448-C450 PolarHBondContact O-N 3.47Å; I448-F451 PolarHBondContact O-N 3.01Å; I448-E452 WeakPolarHBondContact O-CB 3.26Å; I448-E452 WeakPolarHBondContact O-CG 3.11Å; I448-E452 PolarHBondContact O-N 2.85Å; I448-L466 HydrophobicContact CB-CD1 4.21Å; I448-L466 HydrophobicContact CB-CD2 4.28Å; I448-L466 HydrophobicContact CD1-CD1 4.28Å; I448-L466 HydrophobicContact CG2-CD1 4.13Å; I448-L466 HydrophobicContact CG2-CD2 3.92Å
449	E	94.9	Very high	94.2	Very high	5 Å²	5	32.8 Å²	32.8	2%	0.023	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-42.5	178.1	-160.7	-169.2	139.5	0	0	112	H445 I446 E452 K453 L463 H464 G465 L466 L469	H445-E449 WeakPolarHBondContact O-CB 3.39Å; H445-E449 PolarHBondContact O-N 3.42Å; I446-E449 PolarHBondContact O-N 3.25Å; E449-E452 PolarHBondContact O-N 3.28Å; E449-K453 HydrophobicContact CG-CD 4.25Å; E449-K453 WeakPolarHBondContact O-CB 3.29Å; E449-K453 WeakPolarHBondContact O-CG 3.3Å; E449-K453 PolarHBondContact O-N 2.81Å; E449-K453 WeakPolarHBondContact OE1-CE 3.42Å; E449-K453 IonicContact OE1-NZ 2.92Å; E449-K453 PolarHBondContact OE1-NZ 2.99Å; E449-L463 WeakPolarHBondContact OE1-CA 3.22Å; E449-H464 IonicContact OE1-CD2 3.98Å; E449-H464 PolarHBondContact OE1-N 3.22Å; E449-H464 PolarHBondContact OE2-N 3.12Å; E449-H464 VanDerWaalsContact OE2-N 3.13Å; E449-G465 PolarHBondContact OE2-N 3.31Å; E449-L466 HydrophobicContact CB-CD2 4.05Å; E449-L469 HydrophobicContact CB-CD2 4.45Å; E449-L469 HydrophobicContact CG-CD1 3.79Å; E449-L469 HydrophobicContact CG-CD2 3.97Å
450	C	95.2	Very high	93.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.5	-36.6	176.6	-75.4	0	0	0	0	112.7	C293 I446 I448 S454	C293-C450 HydrophobicContact CB-CB 4.22Å; I446-C450 VanDerWaalsContact O-CB 3.24Å; I446-C450 WeakPolarHBondContact O-CB 3.23Å; I446-C450 PolarHBondContact O-N 3.5Å; I446-C450 PolarHBondContact O-SG 2.62Å; I448-C450 PolarHBondContact O-N 3.47Å; C450-S454 WeakPolarHBondContact O-CB 2.98Å; C450-S454 PolarHBondContact O-N 3.47Å
451	F	95.8	Very high	93.7	Very high	7 Å²	7	34.4 Å²	34.4	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-63.8	-49.5	172	171.8	-107.5	0	0	0	111.5	G149 Q151 L152 V396 S447 I448 K453 S454 R455	G149-F451 WeakPolarHBondContact O-CZ 3.48Å; Q151-F451 WeakPolarHBondContact O-CE2 3.44Å; L152-F451 HydrophobicContact CD1-CB 4.02Å; L152-F451 HydrophobicContact CD1-CD2 4.24Å; L152-F451 HydrophobicContact CD1-CG 4.2Å; L152-F451 HydrophobicContact CD2-CB 4.37Å; V396-F451 HydrophobicContact CG1-CD2 4.16Å; V396-F451 HydrophobicContact CG1-CE2 4.26Å; S447-F451 VanDerWaalsContact O-CB 3.26Å; S447-F451 WeakPolarHBondContact O-CB 3.45Å; S447-F451 PolarHBondContact O-N 2.85Å; I448-F451 PolarHBondContact O-N 3.01Å; F451-K453 VanDerWaalsContact C-N 3.31Å; F451-K453 PolarHBondContact O-N 3.42Å; F451-S454 PolarHBondContact O-N 3.34Å; F451-R455 WeakPolarHBondContact O-CB 3.47Å; F451-R455 WeakPolarHBondContact O-CG 3.39Å; F451-R455 PolarHBondContact O-N 2.93Å
452	E	92.8	Very high	93.5	Very high	18 Å²	18	33.6 Å²	33.6	8%	0.084	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-38.8	177.2	-77.1	-61.5	123.5	0	0	112.4	I448 E449 R455 H456 L469	I448-E452 WeakPolarHBondContact O-CB 3.26Å; I448-E452 WeakPolarHBondContact O-CG 3.11Å; I448-E452 PolarHBondContact O-N 2.85Å; E449-E452 PolarHBondContact O-N 3.28Å; E452-R455 VanDerWaalsContact CD-NE 3.34Å; E452-R455 VanDerWaalsContact CD-NH2 3.28Å; E452-R455 IonicContact OE1-CZ 2.72Å; E452-R455 IonicContact OE1-NE 3.39Å; E452-R455 PolarHBondContact OE1-NE 2.75Å; E452-R455 IonicContact OE1-NH2 2.7Å; E452-R455 PolarHBondContact OE1-NH2 2.9Å; E452-R455 IonicContact OE2-CZ 3.17Å; E452-R455 IonicContact OE2-NE 3.67Å; E452-R455 PolarHBondContact OE2-NE 3.08Å; E452-R455 IonicContact OE2-NH2 2.92Å; E452-R455 PolarHBondContact OE2-NH2 2.87Å; E452-H456 PolarHBondContact O-ND1 3.28Å; E452-H456 IonicContact OE2-CE1 3.25Å; E452-H456 PolarHBondContact OE2-CE1 2.81Å; E452-H456 IonicContact OE2-ND1 3.74Å; E452-L469 HydrophobicContact CB-CD2 4.07Å; E452-L469 HydrophobicContact CG-CD2 4.19Å
453	K	93.1	Very high	93.2	Very high	5 Å²	5	32.7 Å²	32.7	2%	0.022	17%	0.166	C	C	.	.	H	α-helix	trans	-71.2	-48.5	174.6	-77.9	164.5	155.5	176.9	0	112.4	E449 F451 R455 H456 Q457 K458 C459 L460 P462 H464	E449-K453 HydrophobicContact CG-CD 4.25Å; E449-K453 WeakPolarHBondContact O-CB 3.29Å; E449-K453 WeakPolarHBondContact O-CG 3.3Å; E449-K453 PolarHBondContact O-N 2.81Å; E449-K453 WeakPolarHBondContact OE1-CE 3.42Å; E449-K453 IonicContact OE1-NZ 2.92Å; E449-K453 PolarHBondContact OE1-NZ 2.99Å; F451-K453 VanDerWaalsContact C-N 3.31Å; F451-K453 PolarHBondContact O-N 3.42Å; K453-R455 PolarHBondContact O-N 2.85Å; K453-H456 CarbonylContact O-C 3.54Å; K453-H456 PolarHBondContact O-N 3.07Å; K453-Q457 PolarHBondContact O-N 2.95Å; K453-Q457 VanDerWaalsContact O-N 3.12Å; K453-K458 HydrophobicContact CB-CB 4.17Å; K453-K458 HydrophobicContact CG-CB 4.22Å; K453-K458 PolarHBondContact O-N 3.15Å; K453-C459 WeakPolarHBondContact CD-O 3.48Å; K453-L460 HydrophobicContact CB-CD2 3.99Å; K453-L460 WeakPolarHBondContact CD-O 3.46Å; K453-L460 PolarHBondContact NZ-O 3.26Å; K453-P462 PolarHBondContact NZ-O 3.23Å; K453-H464 PolarHBondContact NZ-CD2 3.22Å
454	S	92.7	Very high	92.7	Very high	13 Å²	13	36.8 Å²	36.8	9%	0.091	19%	0.185	C	C	.	.	H	α-helix	trans	-59.1	-46.7	-179.6	-179.3	0	0	0	0	112	M295 C450 F451 H456 Q457	M295-S454 PolarHBondContact O-OG 2.88Å; C450-S454 WeakPolarHBondContact O-CB 2.98Å; C450-S454 PolarHBondContact O-N 3.47Å; F451-S454 PolarHBondContact O-N 3.34Å; S454-H456 PolarHBondContact O-N 3.45Å; S454-Q457 PolarHBondContact O-N 3.2Å
455	R	92.5	Very high	92	Very high	63 Å²	63	38 Å²	38	24%	0.238	20%	0.198	C	C	.	.	H	α-helix	trans	-67.3	-20.4	-179.9	79.2	178.2	-175.2	73.4	2.8	114.3	G149 V396 F451 E452 K453	G149-R455 VanDerWaalsContact O-CD 3.24Å; G149-R455 WeakPolarHBondContact O-CD 3.49Å; V396-R455 HydrophobicContact CG1-CB 3.94Å; F451-R455 WeakPolarHBondContact O-CB 3.47Å; F451-R455 WeakPolarHBondContact O-CG 3.39Å; F451-R455 PolarHBondContact O-N 2.93Å; E452-R455 VanDerWaalsContact CD-NE 3.34Å; E452-R455 VanDerWaalsContact CD-NH2 3.28Å; E452-R455 IonicContact OE1-CZ 2.72Å; E452-R455 IonicContact OE1-NE 3.39Å; E452-R455 PolarHBondContact OE1-NE 2.75Å; E452-R455 IonicContact OE1-NH2 2.7Å; E452-R455 PolarHBondContact OE1-NH2 2.9Å; E452-R455 IonicContact OE2-CZ 3.17Å; E452-R455 IonicContact OE2-NE 3.67Å; E452-R455 PolarHBondContact OE2-NE 3.08Å; E452-R455 IonicContact OE2-NH2 2.92Å; E452-R455 PolarHBondContact OE2-NH2 2.87Å; K453-R455 PolarHBondContact O-N 2.85Å
456	H	91.1	Very high	91.1	Very high	48 Å²	48	37.7 Å²	37.7	22%	0.222	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	12.4	172.4	-59.2	116.2	0	0	0	113.2	E452 K453 S454 K458	E452-H456 PolarHBondContact O-ND1 3.28Å; E452-H456 IonicContact OE2-CE1 3.25Å; E452-H456 PolarHBondContact OE2-CE1 2.81Å; E452-H456 IonicContact OE2-ND1 3.74Å; K453-H456 CarbonylContact O-C 3.54Å; K453-H456 PolarHBondContact O-N 3.07Å; S454-H456 PolarHBondContact O-N 3.45Å; H456-K458 HydrophobicContact CB-CD 4.46Å; H456-K458 HydrophobicContact CB-CG 4.2Å; H456-K458 PolarHBondContact O-N 2.88Å; H456-K458 VanDerWaalsContact O-N 3.17Å
457	Q	88.3	Confident	89.3	Confident	190 Å²	190	44.1 Å²	44.1	89%	0.888	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	26.4	-179.1	-52.5	-178.6	14.2	0	0	114.7	K453 S454	K453-Q457 PolarHBondContact O-N 2.95Å; K453-Q457 VanDerWaalsContact O-N 3.12Å; S454-Q457 PolarHBondContact O-N 3.2Å
458	K	89.5	Confident	87	Confident	93 Å²	93	48.6 Å²	48.6	40%	0.404	26%	0.256	S	S	.	.			trans	-85.6	154.1	176.7	-64.3	-175.2	177.6	-171.2	0	111.1	K453 H456 L460 F472	K453-K458 HydrophobicContact CB-CB 4.17Å; K453-K458 HydrophobicContact CG-CB 4.22Å; K453-K458 PolarHBondContact O-N 3.15Å; H456-K458 HydrophobicContact CB-CD 4.46Å; H456-K458 HydrophobicContact CB-CG 4.2Å; H456-K458 PolarHBondContact O-N 2.88Å; H456-K458 VanDerWaalsContact O-N 3.17Å; K458-L460 PolarHBondContact O-N 2.83Å; K458-F472 HydrophobicContact CD-CD1 4.48Å; K458-F472 HydrophobicContact CD-CE1 3.7Å; K458-F472 HydrophobicContact CD-CZ 4.49Å
459	C	89.3	Confident	84.8	Confident	102 Å²	102	48.5 Å²	48.5	69%	0.689	26%	0.255	S	S	*	.			trans	-55.2	133.1	170.7	-62.2	0	0	0	0	110.7	K453 L461	K453-C459 WeakPolarHBondContact CD-O 3.48Å; C459-L461 WeakPolarHBondContact CB-O 3.28Å
460	L	91.6	Very high	82.2	Confident	11 Å²	11	52.4 Å²	52.4	6%	0.058	28%	0.283	C	S	.	.			trans	-69.6	-39.9	-179.1	-58	-176.7	0	0	0	111.7	C293 P296 L298 K453 K458	C293-L460 HydrophobicContact CB-CD1 3.89Å; P296-L460 HydrophobicContact CG-CD1 3.93Å; P296-L460 HydrophobicContact CG-CG 4.48Å; L298-L460 HydrophobicContact CB-CD1 3.8Å; L298-L460 HydrophobicContact CD2-CB 3.87Å; L298-L460 HydrophobicContact CD2-CD1 4.12Å; K453-L460 HydrophobicContact CB-CD2 3.99Å; K453-L460 WeakPolarHBondContact CD-O 3.46Å; K453-L460 PolarHBondContact NZ-O 3.26Å; K458-L460 PolarHBondContact O-N 2.83Å
461	L	91.3	Very high	79.4	Confident	25 Å²	25	55.5 Å²	55.5	13%	0.131	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-103.6	153.1	175	-60.8	179.5	0	0	0	110.9	L298 F300 C459 L463 L499 L507	L298-L461 HydrophobicContact CD1-CD1 4.13Å; L298-L461 HydrophobicContact CD1-CD2 4.48Å; L298-L461 HydrophobicContact CD1-CG 4.24Å; L298-L461 HydrophobicContact CD2-CD2 4.08Å; L298-L461 HydrophobicContact CD2-CG 4.37Å; F300-L461 HydrophobicContact CZ-CD2 4.34Å; C459-L461 WeakPolarHBondContact CB-O 3.28Å; L461-L463 HydrophobicContact CD2-CG 3.99Å; L461-L499 HydrophobicContact CB-CD2 4.36Å; L461-L499 HydrophobicContact CD1-CD2 4.35Å; L461-L507 HydrophobicContact CD1-CD1 4.43Å; L461-L507 HydrophobicContact CD1-CD2 3.68Å
462	P	91.9	Very high	76.9	Confident	56 Å²	56	56.7 Å²	56.7	36%	0.364	31%	0.314	S	S	.	.	S	Bend	cis	-70.3	151	-5.6	33	-37.4	0	0	0	111.6	K453 H464 D498	K453-P462 PolarHBondContact NZ-O 3.23Å; P462-H464 PolarHBondContact O-NE2 3.4Å; P462-D498 VanDerWaalsContact CB-O 3.29Å; P462-D498 WeakPolarHBondContact CB-O 3.46Å
463	L	90.3	Very high	74.5	Confident	7 Å²	7	59.4 Å²	59.4	4%	0.037	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-71.8	151.7	170.7	-65.1	175	0	0	0	110.3	F300 I446 E449 L461 L499 G500	F300-L463 HydrophobicContact CE1-CD1 4.43Å; F300-L463 HydrophobicContact CZ-CD1 3.92Å; I446-L463 HydrophobicContact CG1-CD1 4.1Å; I446-L463 HydrophobicContact CG2-CD1 4.13Å; E449-L463 WeakPolarHBondContact OE1-CA 3.22Å; L461-L463 HydrophobicContact CD2-CG 3.99Å; L463-L499 PolarHBondContact N-O 3.12Å; L463-G500 WeakPolarHBondContact CB-O 3.29Å; L463-G500 WeakPolarHBondContact O-CA 3.35Å
464	H	86.5	Confident	72	Confident	87 Å²	87	65 Å²	65	40%	0.403	36%	0.356	S	S	.	.			trans	-123.4	-11.4	-176.5	-59.7	-65.6	0	0	0	114.1	E449 K453 P462 N468	E449-H464 IonicContact OE1-CD2 3.98Å; E449-H464 PolarHBondContact OE1-N 3.22Å; E449-H464 PolarHBondContact OE2-N 3.12Å; E449-H464 VanDerWaalsContact OE2-N 3.13Å; K453-H464 PolarHBondContact NZ-CD2 3.22Å; P462-H464 PolarHBondContact O-NE2 3.4Å; H464-N468 PolarHBondContact O-ND2 3.03Å
465	G	82.3	Confident	69.4	Low	27 Å²	27	67.6 Å²	67.6	28%	0.278	37%	0.374	S	S	.	.			trans	77.6	145.5	-176.1	0	0	0	0	0	112.5	E449 D467 N468 L469	E449-G465 PolarHBondContact OE2-N 3.31Å; G465-D467 PolarHBondContact O-N 3.25Å; G465-D467 VanDerWaalsContact O-N 3.15Å; G465-N468 PolarHBondContact O-N 3.04Å; G465-L469 WeakPolarHBondContact O-CD1 3.23Å
466	L	74.4	Confident	66.8	Low	19 Å²	19	71.8 Å²	71.8	10%	0.099	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-64.6	-19.2	-175.9	-66.2	-167.8	0	0	0	114.1	L118 H445 I448 E449 N468 L469	L118-L466 HydrophobicContact CD1-CD1 3.68Å; L118-L466 HydrophobicContact CD2-CB 4.2Å; L118-L466 HydrophobicContact CD2-CD1 3.58Å; L118-L466 HydrophobicContact CG-CD1 4.3Å; H445-L466 HydrophobicContact CB-CD1 4.1Å; H445-L466 HydrophobicContact CB-CG 4.03Å; I448-L466 HydrophobicContact CB-CD1 4.21Å; I448-L466 HydrophobicContact CB-CD2 4.28Å; I448-L466 HydrophobicContact CD1-CD1 4.28Å; I448-L466 HydrophobicContact CG2-CD1 4.13Å; I448-L466 HydrophobicContact CG2-CD2 3.92Å; E449-L466 HydrophobicContact CB-CD2 4.05Å; L466-N468 PolarHBondContact O-N 3.35Å; L466-L469 HydrophobicContact CD2-CB 4.34Å; L466-L469 HydrophobicContact CD2-CD1 4.23Å; L466-L469 HydrophobicContact CD2-CD2 3.87Å; L466-L469 HydrophobicContact CD2-CG 4.34Å; L466-L469 WeakPolarHBondContact O-CB 3.41Å; L466-L469 PolarHBondContact O-N 3.37Å
467	D	59.2	Low	64	Low	140 Å²	140	78.7 Å²	78.7	75%	0.749	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-61.2	-31.1	179	-47.8	-34.7	0	0	0	111.9	G465	G465-D467 PolarHBondContact O-N 3.25Å; G465-D467 VanDerWaalsContact O-N 3.15Å
468	N	47.8	Very low	61.4	Low	95 Å²	95	72.9 Å²	72.9	51%	0.508	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-85.5	-12.4	173.1	-70.7	-54.8	0	0	0	113.7	H464 G465 L466 S470 A471	H464-N468 PolarHBondContact O-ND2 3.03Å; G465-N468 PolarHBondContact O-N 3.04Å; L466-N468 PolarHBondContact O-N 3.35Å; N468-S470 PolarHBondContact O-N 2.65Å; N468-A471 PolarHBondContact O-N 2.88Å
469	L	49.7	Very low	58.7	Low	8 Å²	8	77.1 Å²	77.1	4%	0.042	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-80	2.4	-175.2	-88.1	82.1	0	0	0	114.2	E449 E452 G465 L466 A471 F472 V473	E449-L469 HydrophobicContact CB-CD2 4.45Å; E449-L469 HydrophobicContact CG-CD1 3.79Å; E449-L469 HydrophobicContact CG-CD2 3.97Å; E452-L469 HydrophobicContact CB-CD2 4.07Å; E452-L469 HydrophobicContact CG-CD2 4.19Å; G465-L469 WeakPolarHBondContact O-CD1 3.23Å; L466-L469 HydrophobicContact CD2-CB 4.34Å; L466-L469 HydrophobicContact CD2-CD1 4.23Å; L466-L469 HydrophobicContact CD2-CD2 3.87Å; L466-L469 HydrophobicContact CD2-CG 4.34Å; L466-L469 WeakPolarHBondContact O-CB 3.41Å; L466-L469 PolarHBondContact O-N 3.37Å; L469-A471 PolarHBondContact O-N 3.19Å; L469-A471 VanDerWaalsContact O-N 3.12Å; L469-F472 HydrophobicContact CB-CB 4.21Å; L469-F472 HydrophobicContact CD2-CB 3.99Å; L469-F472 HydrophobicContact CD2-CG 4.47Å; L469-F472 HydrophobicContact CG-CB 3.79Å; L469-F472 HydrophobicContact CG-CD2 4.41Å; L469-F472 HydrophobicContact CG-CG 4.1Å; L469-F472 PolarHBondContact O-N 2.73Å; L469-V473 WeakPolarHBondContact O-CG2 3.36Å; L469-V473 PolarHBondContact O-N 3.09Å
470	S	40.9	Very low	56	Low	86 Å²	86	82.5 Å²	82.5	60%	0.601	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-54	-18.1	156	56.5	0	0	0	0	113	N468 F474	N468-S470 PolarHBondContact O-N 2.65Å; S470-F474 WeakPolarHBondContact O-CD2 3.44Å; S470-F474 WeakPolarHBondContact O-CE2 3.26Å
471	A	37.3	Very low	53	Low	66 Å²	66	91.3 Å²	91.3	55%	0.545	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-90.5	-19.2	168.6	0	0	0	0	0	115	N468 L469	N468-A471 PolarHBondContact O-N 2.88Å; L469-A471 PolarHBondContact O-N 3.19Å; L469-A471 VanDerWaalsContact O-N 3.12Å
472	F	41.7	Very low	49.9	Very low	31 Å²	31	97.4 Å²	97.4	14%	0.136	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-34.6	-171.7	-82.1	-120.7	0	0	0	113.6	K458 L469 F474 C475	K458-F472 HydrophobicContact CD-CD1 4.48Å; K458-F472 HydrophobicContact CD-CE1 3.7Å; K458-F472 HydrophobicContact CD-CZ 4.49Å; L469-F472 HydrophobicContact CB-CB 4.21Å; L469-F472 HydrophobicContact CD2-CB 3.99Å; L469-F472 HydrophobicContact CD2-CG 4.47Å; L469-F472 HydrophobicContact CG-CB 3.79Å; L469-F472 HydrophobicContact CG-CD2 4.41Å; L469-F472 HydrophobicContact CG-CG 4.1Å; L469-F472 PolarHBondContact O-N 2.73Å; F472-F474 PolarHBondContact O-N 3.24Å; F472-C475 PolarHBondContact O-N 2.97Å; F472-C475 VanDerWaalsContact O-N 3.15Å
473	V	44.2	Very low	46.8	Very low	75 Å²	75	105.4 Å²	105.4	46%	0.455	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-19.5	173.9	172.9	0	0	0	0	111.9	L469	L469-V473 WeakPolarHBondContact O-CG2 3.36Å; L469-V473 PolarHBondContact O-N 3.09Å
474	F	40.5	Very low	44.1	Very low	122 Å²	122	109.6 Å²	109.6	54%	0.535	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.3	-7.8	-176.3	-71.4	-101.8	0	0	0	115	H95 S470 F472 Q476	H95-F474 AromaticContact CE1-CD1 3.69Å; H95-F474 AromaticContact CE1-CE1 3.49Å; H95-F474 VanDerWaalsContact CE1-CE1 3.49Å; H95-F474 WeakPolarHBondContact CE1-CE1 3.33Å; H95-F474 AromaticContact ND1-CE1 3.82Å; S470-F474 WeakPolarHBondContact O-CD2 3.44Å; S470-F474 WeakPolarHBondContact O-CE2 3.26Å; F472-F474 PolarHBondContact O-N 3.24Å; F474-Q476 PolarHBondContact O-N 2.82Å
475	C	36.3	Very low	41.2	Very low	69 Å²	69	108.3 Å²	108.3	47%	0.466	55%	0.553	S	S	.	*			trans	-81.5	38.1	-173.5	-150.1	0	0	0	0	115.1	F472 R477	F472-C475 PolarHBondContact O-N 2.97Å; F472-C475 VanDerWaalsContact O-N 3.15Å; C475-R477 VanDerWaalsContact C-N 3.34Å
476	Q	39.5	Very low	39.1	Very low	151 Å²	151	114.5 Å²	114.5	71%	0.706	58%	0.579	S	S	*	*			trans	-86.7	6	175.8	-70.8	-167	-5.1	0	0	114.3	F474	F474-Q476 PolarHBondContact O-N 2.82Å
477	R	30.7	Very low	37.1	Very low	193 Å²	193	120.6 Å²	120.6	73%	0.728	61%	0.612	S	S	*	*	S	Bend	trans	-140.6	64.5	-174.3	-77.1	-168.7	171.9	145.7	3.9	115.5	T93 C475	T93-R477 VanDerWaalsContact OG1-CZ 3.27Å; T93-R477 PolarHBondContact OG1-NH1 3.4Å; T93-R477 PolarHBondContact OG1-NH2 2.97Å; C475-R477 VanDerWaalsContact C-N 3.34Å
478	S	35	Very low	35.9	Very low	67 Å²	67	121.9 Å²	121.9	47%	0.469	61%	0.613	S	S	.	*			trans	-162.1	114.4	149.4	-174.2	0	0	0	0	112.5	R480	S478-R480 WeakPolarHBondContact OG-CA 3.28Å; S478-R480 WeakPolarHBondContact OG-CB 3.45Å; S478-R480 PolarHBondContact OG-N 2.68Å; S478-R480 PolarHBondContact OG-O 2.95Å
479	N	33	Very low	35.3	Very low	183 Å²	183	124 Å²	124	98%	0.979	62%	0.621	S	S	*	*			trans	-88.8	19.7	159.1	-99.5	-2	0	0	0	111.9
480	R	31.7	Very low	34.5	Very low	214 Å²	214	128.7 Å²	128.7	81%	0.808	65%	0.652	S	S	*	*	S	Bend	trans	-101.2	134.3	170	-52.4	-179	-177.1	-176.1	0.6	109	S478 M482	S478-R480 WeakPolarHBondContact OG-CA 3.28Å; S478-R480 WeakPolarHBondContact OG-CB 3.45Å; S478-R480 PolarHBondContact OG-N 2.68Å; S478-R480 PolarHBondContact OG-O 2.95Å; R480-M482 PolarHBondContact O-N 2.76Å
481	H	28.9	Very low	34.1	Very low	197 Å²	197	132.7 Å²	132.7	91%	0.912	67%	0.666	S	S	*	*			trans	-61.7	93.3	176.5	-64	-77.3	0	0	0	112	R483	H481-R483 PolarHBondContact O-N 2.67Å
482	M	26.7	Very low	33.9	Very low	152 Å²	152	134.5 Å²	134.5	75%	0.749	67%	0.67	S	S	*	*			trans	-81.9	98.7	157.8	-90	-139.2	71.9	0	0	108.9	R480 T484	R480-M482 PolarHBondContact O-N 2.76Å; M482-T484 HydrophobicContact CE-CG2 3.87Å; M482-T484 PolarHBondContact O-N 3.12Å
483	R	26.8	Very low	33.5	Very low	225 Å²	225	139.9 Å²	139.9	85%	0.849	70%	0.7	S	S	*	*			trans	-78.3	66.8	169.1	-171.1	-176.7	-175.7	177.7	0.9	109.1	H481 S485	H481-R483 PolarHBondContact O-N 2.67Å; R483-S485 PolarHBondContact O-N 3.15Å
484	T	32.4	Very low	32.9	Very low	95 Å²	95	145.1 Å²	145.1	58%	0.583	72%	0.716	S	S	*	*			trans	-61.4	126	168.1	50.9	0	0	0	0	108.5	M482	M482-T484 HydrophobicContact CE-CG2 3.87Å; M482-T484 PolarHBondContact O-N 3.12Å
485	S	26.1	Very low	32.8	Very low	59 Å²	59	145.3 Å²	145.3	41%	0.413	72%	0.722	S	S	.	*			trans	-53.7	147.4	165	25.1	0	0	0	0	109.8	R483 D487	R483-S485 PolarHBondContact O-N 3.15Å; S485-D487 VanDerWaalsContact CB-OD2 3.29Å; S485-D487 WeakPolarHBondContact CB-OD2 3.42Å; S485-D487 PolarHBondContact O-N 3.01Å
486	L	38.7	Very low	33	Very low	158 Å²	158	148.3 Å²	148.3	83%	0.827	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-77	-9.4	173.5	-96.7	67.5	0	0	0	111.8	E488	L486-E488 PolarHBondContact O-N 3.25Å
487	D	32.9	Very low	33.3	Very low	147 Å²	147	143 Å²	143	79%	0.786	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-87	-5.7	-162.3	-44.3	-80.6	0	0	0	114.2	S485	S485-D487 VanDerWaalsContact CB-OD2 3.29Å; S485-D487 WeakPolarHBondContact CB-OD2 3.42Å; S485-D487 PolarHBondContact O-N 3.01Å
488	E	33.8	Very low	35	Very low	167 Å²	167	141 Å²	141	78%	0.78	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-109.9	8.8	-171.9	-64.6	-168.6	155.1	0	0	115.3	L486	L486-E488 PolarHBondContact O-N 3.25Å
489	M	34.5	Very low	37.3	Very low	138 Å²	138	141.4 Å²	141.4	68%	0.68	73%	0.729	S	S	*	*	S	Bend	trans	-91	129.1	173.1	-69.3	-141.2	71.9	0	0	112
490	P	34	Very low	39.9	Very low	107 Å²	107	134.8 Å²	134.8	70%	0.695	70%	0.704	S	S	*	*			trans	-70.6	133.2	-174	27.8	-34.7	0	0	0	112.5	V492	P490-V492 PolarHBondContact O-N 2.88Å; P490-V492 VanDerWaalsContact O-N 3.09Å
491	I	31.3	Very low	42.6	Very low	171 Å²	171	126.5 Å²	126.5	88%	0.877	68%	0.677	S	S	*	*			trans	-78	97.5	-174.4	-57.1	174.6	0	0	0	110.7
492	V	33.9	Very low	45.5	Very low	104 Å²	104	118.8 Å²	118.8	63%	0.63	65%	0.645	S	S	*	*			trans	-138.8	120.4	173.7	-175.8	0	0	0	0	106.2	P490	P490-V492 PolarHBondContact O-N 2.88Å; P490-V492 VanDerWaalsContact O-N 3.09Å
493	N	33.3	Very low	48.5	Very low	143 Å²	143	117.9 Å²	117.9	77%	0.765	65%	0.648	S	S	*	*			cis	-122.2	163.1	20.7	-92.3	-53.5	0	0	0	114.9
494	K	32.1	Very low	51.5	Low	186 Å²	186	108.7 Å²	108.7	81%	0.809	62%	0.623	S	S	*	*			trans	-74.6	142.2	-179.9	-83.4	176.3	178.6	171.9	0	114.3
495	I	36.8	Very low	54.5	Low	126 Å²	126	104.8 Å²	104.8	65%	0.646	60%	0.597	S	S	*	*	S	Bend	trans	62.2	58.8	143.4	-50.9	163.1	0	0	0	115
496	S	40.3	Very low	57.8	Low	132 Å²	132	104.9 Å²	104.9	92%	0.923	59%	0.594	S	S	*	*	S	Bend	trans	-145.7	7.6	139.1	-74.2	0	0	0	0	115.6
497	G	46	Very low	60.5	Low	38 Å²	38	100.3 Å²	100.3	39%	0.392	57%	0.569	S	S	.	*			cis	-159.9	-37.4	0.1	0	0	0	0	0	113.5
498	D	66.2	Low	63.5	Low	151 Å²	151	94.4 Å²	94.4	81%	0.807	54%	0.538	S	S	*	.	S	Bend	trans	-101.3	-20.3	-176	-62.2	-7.7	0	0	0	114.2	P462	P462-D498 VanDerWaalsContact CB-O 3.29Å; P462-D498 WeakPolarHBondContact CB-O 3.46Å
499	L	84.6	Confident	66.4	Low	76 Å²	76	87.3 Å²	87.3	40%	0.398	50%	0.504	S	S	.	.	S	Bend	trans	-110.1	-5.1	-170.3	-62.4	-178	0	0	0	115.4	L461 L463 V501 L507	L461-L499 HydrophobicContact CB-CD2 4.36Å; L461-L499 HydrophobicContact CD1-CD2 4.35Å; L463-L499 PolarHBondContact N-O 3.12Å; L499-V501 HydrophobicContact CB-CG2 4.04Å; L499-V501 PolarHBondContact O-N 3.39Å; L499-L507 HydrophobicContact CD1-CD2 4.12Å
500	G	86.3	Confident	69.3	Low	45 Å²	45	84.6 Å²	84.6	46%	0.464	49%	0.492	S	S	.	.			trans	62.9	17.5	176.2	0	0	0	0	0	116.5	L463	L463-G500 WeakPolarHBondContact CB-O 3.29Å; L463-G500 WeakPolarHBondContact O-CA 3.35Å
501	V	88.7	Confident	72.2	Confident	39 Å²	39	79.8 Å²	79.8	24%	0.236	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-69.6	130.4	-177.8	-176	0	0	0	0	110.4	F300 L499 W505	F300-V501 HydrophobicContact CD1-CG1 4.03Å; F300-V501 HydrophobicContact CE1-CG1 3.96Å; F300-V501 HydrophobicContact CE1-CG2 3.88Å; L499-V501 HydrophobicContact CB-CG2 4.04Å; L499-V501 PolarHBondContact O-N 3.39Å; V501-W505 HydrophobicContact CG1-CB 3.7Å; V501-W505 WeakPolarHBondContact CG1-O 3.5Å
502	P	90.9	Very high	75	Confident	35 Å²	35	74.2 Å²	74.2	23%	0.227	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-59.9	149.8	179	-26.3	35.9	0	0	0	113.7	D442 I446 G504 W505	D442-P502 HydrophobicContact CB-CB 4.47Å; I446-P502 HydrophobicContact CD1-CG 4.05Å; I446-P502 HydrophobicContact CG1-CG 4.15Å; P502-G504 PolarHBondContact O-N 2.94Å; P502-W505 WeakPolarHBondContact O-CB 3.39Å; P502-W505 PolarHBondContact O-N 2.93Å
503	T	88.9	Confident	77.6	Confident	134 Å²	134	73.8 Å²	73.8	82%	0.822	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	134.6	-176.3	-52.2	0	0	0	0	112	W505	T503-W505 VanDerWaalsContact C-N 3.27Å; T503-W505 PolarHBondContact O-N 3.32Å
504	G	91	Very high	80.4	Confident	31 Å²	31	69.1 Å²	69.1	32%	0.32	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-22.2	-176.4	0	0	0	0	0	114.3	H302 P303 P502 N506	H302-G504 VanDerWaalsContact CD2-C 3.45Å; H302-G504 PolarHBondContact CD2-O 2.9Å; P303-G504 WeakPolarHBondContact CD-O 3.22Å; P502-G504 PolarHBondContact O-N 2.94Å; G504-N506 PolarHBondContact O-ND2 2.87Å
505	W	95	Very high	83.2	Confident	13 Å²	13	60.9 Å²	60.9	5%	0.049	38%	0.376	C	S	.	.			trans	-84.9	139.7	171.9	-65.1	87.5	0	0	0	111.6	L290 F300 Y301 H302 L401 V439 D442 A443 I446 V501 P502 T503	L290-W505 HydrophobicContact CB-CE3 4.45Å; L290-W505 HydrophobicContact CB-CH2 3.84Å; L290-W505 HydrophobicContact CB-CZ3 3.52Å; L290-W505 HydrophobicContact CD2-CH2 4.35Å; L290-W505 HydrophobicContact CD2-CZ3 4.41Å; F300-W505 HydrophobicContact CB-CE3 3.63Å; F300-W505 HydrophobicContact CB-CZ3 4.2Å; Y301-W505 CarbonylContact O-C 3.58Å; Y301-W505 WeakPolarHBondContact O-CA 3.33Å; H302-W505 HydrophobicContact CB-CD2 3.78Å; H302-W505 HydrophobicContact CB-CE3 3.63Å; H302-W505 HydrophobicContact CB-CG 4.41Å; H302-W505 HydrophobicContact CB-CH2 4.17Å; H302-W505 HydrophobicContact CB-CZ2 4.28Å; H302-W505 HydrophobicContact CB-CZ3 3.83Å; L401-W505 HydrophobicContact CD1-CH2 4.06Å; V439-W505 HydrophobicContact CB-CZ2 4.39Å; V439-W505 HydrophobicContact CG1-CH2 4.2Å; V439-W505 HydrophobicContact CG1-CZ2 3.94Å; D442-W505 HydrophobicContact CB-CZ2 4.27Å; D442-W505 PolarHBondContact OD2-NE1 2.85Å; A443-W505 HydrophobicContact CB-CH2 4.28Å; A443-W505 HydrophobicContact CB-CZ2 4.21Å; I446-W505 HydrophobicContact CD1-CD2 4.37Å; I446-W505 HydrophobicContact CD1-CG 4.37Å; V501-W505 HydrophobicContact CG1-CB 3.7Å; V501-W505 WeakPolarHBondContact CG1-O 3.5Å; P502-W505 WeakPolarHBondContact O-CB 3.39Å; P502-W505 PolarHBondContact O-N 2.93Å; T503-W505 VanDerWaalsContact C-N 3.27Å; T503-W505 PolarHBondContact O-N 3.32Å
506	N	94.6	Very high	85.8	Confident	62 Å²	62	56.4 Å²	56.4	33%	0.332	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.3	178.5	-64.2	-102.2	0	0	0	108.3	F300 Y301 G504 L508	F300-N506 CarbonylContact C-O 3.55Å; F300-N506 VanDerWaalsContact CA-O 3.24Å; F300-N506 WeakPolarHBondContact CA-O 3.35Å; Y301-N506 HydrophobicContact CD1-CB 4.21Å; Y301-N506 PolarHBondContact N-O 2.91Å; Y301-N506 PolarHBondContact O-N 3.48Å; G504-N506 PolarHBondContact O-ND2 2.87Å; N506-L508 PolarHBondContact O-N 3.38Å
507	L	95.7	Very high	88.2	Confident	61 Å²	61	58.4 Å²	58.4	32%	0.319	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	115.8	174.3	178.6	61.9	0	0	0	109.7	L298 F300 L461 L499 N510	L298-L507 HydrophobicContact CD1-CD1 3.55Å; L298-L507 HydrophobicContact CG-CD1 4.43Å; F300-L507 HydrophobicContact CD1-CB 4.4Å; F300-L507 HydrophobicContact CD1-CD1 4.18Å; F300-L507 HydrophobicContact CE1-CB 4.37Å; F300-L507 HydrophobicContact CE1-CD1 3.86Å; F300-L507 HydrophobicContact CZ-CD1 4.33Å; L461-L507 HydrophobicContact CD1-CD1 4.43Å; L461-L507 HydrophobicContact CD1-CD2 3.68Å; L499-L507 HydrophobicContact CD1-CD2 4.12Å; L507-N510 HydrophobicContact CD1-CB 4.27Å; L507-N510 HydrophobicContact CD2-CB 4.23Å
508	L	95.2	Very high	90.4	Very high	23 Å²	23	59.9 Å²	59.9	12%	0.12	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-39.2	-176.2	-173.3	71.4	0	0	0	112.7	V299 Q378 I381 H382 N506	V299-L508 HydrophobicContact CG1-CB 4.5Å; V299-L508 HydrophobicContact CG1-CD2 4.16Å; V299-L508 WeakPolarHBondContact O-CA 3.35Å; V299-L508 WeakPolarHBondContact O-CB 3.33Å; V299-L508 PolarHBondContact O-N 3.35Å; Q378-L508 HydrophobicContact CB-CD1 3.83Å; Q378-L508 HydrophobicContact CG-CD1 4.06Å; I381-L508 HydrophobicContact CB-CD2 4.04Å; I381-L508 HydrophobicContact CG2-CD2 3.43Å; I381-L508 VanDerWaalsContact CG2-CD2 3.43Å; H382-L508 HydrophobicContact CB-CD1 4.26Å; H382-L508 HydrophobicContact CB-CG 4.46Å; H382-L508 PolarHBondContact CD2-O 3.43Å; N506-L508 PolarHBondContact O-N 3.38Å
509	Y	95.9	Very high	91.5	Very high	19 Å²	19	53.1 Å²	53.1	8%	0.075	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	130.8	176.9	-174.3	-108.9	0	0	0	110.5	V299 H382 F385 K389 E511 E742	V299-Y509 HydrophobicContact CG2-CD1 4.43Å; V299-Y509 PolarHBondContact N-O 2.77Å; V299-Y509 PolarHBondContact O-N 3.1Å; V299-Y509 VanDerWaalsContact O-N 3.07Å; H382-Y509 AromaticContact NE2-CD2 3.5Å; F385-Y509 HydrophobicContact CD1-CD1 4.35Å; F385-Y509 HydrophobicContact CD1-CG 4.46Å; F385-Y509 AromaticContact CE1-CD1 3.53Å; F385-Y509 HydrophobicContact CE1-CD1 3.53Å; F385-Y509 AromaticContact CE1-CE1 3.91Å; F385-Y509 HydrophobicContact CE1-CE1 3.91Å; F385-Y509 HydrophobicContact CE1-CG 4.07Å; F385-Y509 HydrophobicContact CZ-CD1 4.31Å; K389-Y509 HydrophobicContact CD-CE1 4.46Å; K389-Y509 PolarHBondContact NZ-OH 2.77Å; Y509-E511 HydrophobicContact CD1-CB 4.44Å; Y509-E511 HydrophobicContact CE1-CB 3.68Å; Y509-E511 HydrophobicContact CE1-CG 4.23Å; Y509-E742 PolarHBondContact OH-OE2 2.93Å
510	N	95.2	Very high	91.6	Very high	81 Å²	81	55.2 Å²	55.2	43%	0.433	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	113.6	170.5	-179.8	25.8	0	0	0	107.5	L298 L507 S512	L298-N510 HydrophobicContact CD1-CB 3.86Å; L507-N510 HydrophobicContact CD1-CB 4.27Å; L507-N510 HydrophobicContact CD2-CB 4.23Å; N510-S512 PolarHBondContact O-N 2.75Å
511	E	93.9	Very high	91.7	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.028	32%	0.32	C	S	.	.			trans	-77.1	119.8	-175.1	-174.5	176.3	-130.4	0	0	111.2	P296 Y297 Y509 A515 F516 R519	P296-E511 HydrophobicContact CB-CB 4.2Å; Y297-E511 PolarHBondContact N-OE2 2.92Å; Y297-E511 WeakPolarHBondContact O-CB 3.44Å; Y297-E511 PolarHBondContact O-N 2.87Å; Y509-E511 HydrophobicContact CD1-CB 4.44Å; Y509-E511 HydrophobicContact CE1-CB 3.68Å; Y509-E511 HydrophobicContact CE1-CG 4.23Å; E511-A515 HydrophobicContact CG-CB 3.9Å; E511-F516 HydrophobicContact CG-CB 3.99Å; E511-R519 IonicContact OE1-CZ 3.22Å; E511-R519 IonicContact OE1-NE 2.99Å; E511-R519 PolarHBondContact OE1-NE 3.4Å; E511-R519 IonicContact OE1-NH2 3.35Å; E511-R519 PolarHBondContact OE1-NH2 3.2Å; E511-R519 IonicContact OE2-CZ 3.69Å; E511-R519 IonicContact OE2-NE 2.74Å; E511-R519 IonicContact OE2-NH2 2.82Å; E511-R519 PolarHBondContact OE2-NH2 2.84Å
512	S	91.1	Very high	91.5	Very high	54 Å²	54	59.1 Å²	59.1	38%	0.378	33%	0.326	S	S	.	.			trans	-62.7	151.5	177.7	81.9	0	0	0	0	111.1	N510 A514 A515 F516	N510-S512 PolarHBondContact O-N 2.75Å; S512-A514 PolarHBondContact O-N 2.74Å; S512-A514 PolarHBondContact OG-N 2.92Å; S512-A515 PolarHBondContact O-N 3.45Å; S512-A515 PolarHBondContact OG-N 2.91Å; S512-A515 VanDerWaalsContact OG-N 3.07Å; S512-F516 WeakPolarHBondContact O-CB 3.35Å; S512-F516 PolarHBondContact O-N 3.43Å
513	Q	88	Confident	91.1	Very high	95 Å²	95	58.1 Å²	58.1	44%	0.444	32%	0.319	S	S	.	.	H	α-helix	trans	-58.9	-21.7	176.4	-174.4	56.2	70	0	0	112.9	F516 R517	Q513-F516 VanDerWaalsContact NE2-CD1 3.29Å; Q513-R517 WeakPolarHBondContact O-CB 3.32Å; Q513-R517 VanDerWaalsContact O-CD 3.3Å; Q513-R517 WeakPolarHBondContact O-CD 3.38Å; Q513-R517 WeakPolarHBondContact O-CG 3.4Å; Q513-R517 PolarHBondContact O-N 2.77Å
514	A	91.7	Very high	90.6	Very high	45 Å²	45	57.9 Å²	57.9	37%	0.372	31%	0.309	S	S	.	.	H	α-helix	trans	-75.9	-51.5	171.8	0	0	0	0	0	111.8	S512 F516 R517 A518	S512-A514 PolarHBondContact O-N 2.74Å; S512-A514 PolarHBondContact OG-N 2.92Å; A514-F516 VanDerWaalsContact C-N 3.34Å; A514-F516 PolarHBondContact O-N 3.48Å; A514-R517 PolarHBondContact O-N 3.38Å; A514-R517 VanDerWaalsContact O-N 3.15Å; A514-A518 PolarHBondContact O-N 2.93Å
515	A	91.5	Very high	89.9	Confident	13 Å²	13	61 Å²	61	11%	0.107	33%	0.325	C	S	.	.	H	α-helix	trans	-60.1	-42.3	177.5	0	0	0	0	0	112	E511 S512 A518 R519	E511-A515 HydrophobicContact CG-CB 3.9Å; S512-A515 PolarHBondContact O-N 3.45Å; S512-A515 PolarHBondContact OG-N 2.91Å; S512-A515 VanDerWaalsContact OG-N 3.07Å; A515-A518 PolarHBondContact O-N 2.9Å; A515-R519 WeakPolarHBondContact O-CB 3.45Å; A515-R519 PolarHBondContact O-N 2.88Å
516	F	91.1	Very high	89	Confident	31 Å²	31	61.6 Å²	61.6	14%	0.136	33%	0.331	C	S	.	.	H	α-helix	trans	-59.3	-45.7	173.4	168.8	-144.3	0	0	0	112	M295 P296 E511 S512 Q513 A514 A518 R519 W520	M295-F516 HydrophobicContact CE-CD2 3.75Å; M295-F516 HydrophobicContact CE-CE2 3.29Å; M295-F516 HydrophobicContact CE-CZ 4.28Å; M295-F516 HydrophobicContact SD-CE2 3.69Å; M295-F516 HydrophobicContact SD-CZ 4.19Å; P296-F516 HydrophobicContact CB-CB 4.1Å; P296-F516 HydrophobicContact CB-CD1 3.95Å; P296-F516 HydrophobicContact CB-CG 3.96Å; E511-F516 HydrophobicContact CG-CB 3.99Å; S512-F516 WeakPolarHBondContact O-CB 3.35Å; S512-F516 PolarHBondContact O-N 3.43Å; Q513-F516 VanDerWaalsContact NE2-CD1 3.29Å; A514-F516 VanDerWaalsContact C-N 3.34Å; A514-F516 PolarHBondContact O-N 3.48Å; F516-A518 PolarHBondContact O-N 3.25Å; F516-R519 PolarHBondContact O-N 3.41Å; F516-W520 HydrophobicContact CD2-CE3 4.49Å; F516-W520 AromaticContact CE2-CE3 3.54Å; F516-W520 HydrophobicContact CE2-CE3 3.54Å; F516-W520 AromaticContact CE2-CZ3 3.76Å; F516-W520 HydrophobicContact CE2-CZ3 3.76Å; F516-W520 AromaticContact CZ-CE3 3.96Å; F516-W520 HydrophobicContact CZ-CE3 3.96Å; F516-W520 AromaticContact CZ-CZ3 3.86Å; F516-W520 HydrophobicContact CZ-CZ3 3.86Å; F516-W520 PolarHBondContact O-N 2.76Å
517	R	90.6	Very high	88	Confident	175 Å²	175	61 Å²	61	66%	0.66	33%	0.332	S	S	*	.	H	α-helix	trans	-62.9	-40.4	174.7	-78.8	168.6	-177.8	165.8	-0.3	112.2	Q513 A514 R519 W520	Q513-R517 WeakPolarHBondContact O-CB 3.32Å; Q513-R517 VanDerWaalsContact O-CD 3.3Å; Q513-R517 WeakPolarHBondContact O-CD 3.38Å; Q513-R517 WeakPolarHBondContact O-CG 3.4Å; Q513-R517 PolarHBondContact O-N 2.77Å; A514-R517 PolarHBondContact O-N 3.38Å; A514-R517 VanDerWaalsContact O-N 3.15Å; R517-R519 VanDerWaalsContact C-N 3.32Å; R517-R519 PolarHBondContact O-N 3.41Å; R517-W520 WeakPolarHBondContact O-CB 3.31Å; R517-W520 PolarHBondContact O-N 2.69Å
518	A	91.4	Very high	87.1	Confident	69 Å²	69	61.2 Å²	61.2	57%	0.57	33%	0.333	S	S	*	.	H	α-helix	trans	-66.7	-32.4	176.3	0	0	0	0	0	112.7	A514 A515 F516	A514-A518 PolarHBondContact O-N 2.93Å; A515-A518 PolarHBondContact O-N 2.9Å; F516-A518 PolarHBondContact O-N 3.25Å
519	R	91.2	Very high	85.8	Confident	9 Å²	9	66.4 Å²	66.4	3%	0.034	35%	0.351	C	S	.	.	H	α-helix	trans	-76.2	-23.8	174.9	-174.4	170.2	62.9	94	-5.8	113.4	T294 Y297 N390 E511 A515 F516 R517 I522 L523	T294-R519 PolarHBondContact O-NH2 3.08Å; Y297-R519 VanDerWaalsContact CD2-CZ 3.41Å; Y297-R519 VanDerWaalsContact CD2-NH2 3.25Å; N390-R519 VanDerWaalsContact OD1-CD 3.22Å; N390-R519 WeakPolarHBondContact OD1-CD 3.18Å; E511-R519 IonicContact OE1-CZ 3.22Å; E511-R519 IonicContact OE1-NE 2.99Å; E511-R519 PolarHBondContact OE1-NE 3.4Å; E511-R519 IonicContact OE1-NH2 3.35Å; E511-R519 PolarHBondContact OE1-NH2 3.2Å; E511-R519 IonicContact OE2-CZ 3.69Å; E511-R519 IonicContact OE2-NE 2.74Å; E511-R519 IonicContact OE2-NH2 2.82Å; E511-R519 PolarHBondContact OE2-NH2 2.84Å; A515-R519 WeakPolarHBondContact O-CB 3.45Å; A515-R519 PolarHBondContact O-N 2.88Å; F516-R519 PolarHBondContact O-N 3.41Å; R517-R519 VanDerWaalsContact C-N 3.32Å; R517-R519 PolarHBondContact O-N 3.41Å; R519-I522 WeakPolarHBondContact O-CB 3.38Å; R519-I522 PolarHBondContact O-N 3.2Å; R519-L523 PolarHBondContact O-N 3.09Å
520	W	86.3	Confident	84.5	Confident	119 Å²	119	67.2 Å²	67.2	45%	0.451	36%	0.359	S	S	.	.	H	α-helix	trans	-50.6	-46.3	-172.5	-171.6	-100.8	0	0	0	115.1	M295 F516 R517 I522 L523 Q524	M295-W520 HydrophobicContact SD-CE3 4.42Å; M295-W520 HydrophobicContact SD-CZ3 3.79Å; F516-W520 HydrophobicContact CD2-CE3 4.49Å; F516-W520 AromaticContact CE2-CE3 3.54Å; F516-W520 HydrophobicContact CE2-CE3 3.54Å; F516-W520 AromaticContact CE2-CZ3 3.76Å; F516-W520 HydrophobicContact CE2-CZ3 3.76Å; F516-W520 AromaticContact CZ-CE3 3.96Å; F516-W520 HydrophobicContact CZ-CE3 3.96Å; F516-W520 AromaticContact CZ-CZ3 3.86Å; F516-W520 HydrophobicContact CZ-CZ3 3.86Å; F516-W520 PolarHBondContact O-N 2.76Å; R517-W520 WeakPolarHBondContact O-CB 3.31Å; R517-W520 PolarHBondContact O-N 2.69Å; W520-I522 VanDerWaalsContact C-N 3.34Å; W520-I522 PolarHBondContact O-N 2.91Å; W520-L523 HydrophobicContact CE3-CD2 4.41Å; W520-L523 HydrophobicContact CZ3-CD2 4.48Å; W520-L523 PolarHBondContact O-N 2.89Å; W520-Q524 VanDerWaalsContact CZ2-NE2 3.3Å; W520-Q524 PolarHBondContact O-N 3.25Å
521	P	87.7	Confident	83.4	Confident	93 Å²	93	65.1 Å²	65.1	60%	0.604	35%	0.345	S	S	*	.	H	α-helix	trans	-66.4	-35.4	179.3	-19.6	33.6	0	0	0	112.8
522	I	84.4	Confident	82.6	Confident	73 Å²	73	71.1 Å²	71.1	37%	0.374	38%	0.376	S	S	.	.	H	α-helix	trans	-68	-41.3	178.2	-54.3	173.9	0	0	0	109.6	N390 R519 W520 Q524 S525 C526	N390-I522 HydrophobicContact CB-CG2 4.41Å; N390-I522 WeakPolarHBondContact O-CG2 3.48Å; R519-I522 WeakPolarHBondContact O-CB 3.38Å; R519-I522 PolarHBondContact O-N 3.2Å; W520-I522 VanDerWaalsContact C-N 3.34Å; W520-I522 PolarHBondContact O-N 2.91Å; I522-Q524 PolarHBondContact O-N 3.44Å; I522-S525 PolarHBondContact O-N 3.31Å; I522-S525 VanDerWaalsContact O-N 3.11Å; I522-S525 PolarHBondContact O-OG 2.69Å; I522-C526 PolarHBondContact O-SG 3.04Å; I522-C526 VanDerWaalsContact O-SG 3.33Å
523	L	81.8	Confident	81.9	Confident	14 Å²	14	70.1 Å²	70.1	7%	0.073	37%	0.368	C	S	.	.	H	α-helix	trans	-58.3	-45	179	172.7	58.9	0	0	0	112.7	M295 A394 R519 W520 S525 C526	M295-L523 HydrophobicContact CE-CD2 3.28Å; M295-L523 HydrophobicContact SD-CD2 3.42Å; M295-L523 WeakPolarHBondContact SD-CD2 3.34Å; A394-L523 HydrophobicContact CB-CD1 3.59Å; A394-L523 HydrophobicContact CB-CD2 3.9Å; A394-L523 HydrophobicContact CB-CG 4.42Å; A394-L523 VanDerWaalsContact N-CD1 3.32Å; R519-L523 PolarHBondContact O-N 3.09Å; W520-L523 HydrophobicContact CE3-CD2 4.41Å; W520-L523 HydrophobicContact CZ3-CD2 4.48Å; W520-L523 PolarHBondContact O-N 2.89Å; L523-S525 PolarHBondContact O-N 3.5Å; L523-C526 HydrophobicContact CD1-CB 4.45Å; L523-C526 VanDerWaalsContact O-CB 3.31Å; L523-C526 WeakPolarHBondContact O-CB 3.49Å; L523-C526 PolarHBondContact O-N 3.16Å
524	Q	78.5	Confident	81.8	Confident	130 Å²	130	66.7 Å²	66.7	61%	0.607	35%	0.354	S	S	*	.	H	α-helix	trans	-63	-17.1	-179.2	-59.4	-58.7	-25.1	0	0	113	W520 I522	W520-Q524 VanDerWaalsContact CZ2-NE2 3.3Å; W520-Q524 PolarHBondContact O-N 3.25Å; I522-Q524 PolarHBondContact O-N 3.44Å
525	S	77.4	Confident	81.5	Confident	95 Å²	95	70.2 Å²	70.2	66%	0.664	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-9.5	172.6	77.7	0	0	0	0	114.7	I522 L523 S527	I522-S525 PolarHBondContact O-N 3.31Å; I522-S525 VanDerWaalsContact O-N 3.11Å; I522-S525 PolarHBondContact O-OG 2.69Å; L523-S525 PolarHBondContact O-N 3.5Å; S525-S527 PolarHBondContact O-N 3.3Å
526	C	76.8	Confident	81.3	Confident	26 Å²	26	70.4 Å²	70.4	18%	0.176	36%	0.356	C	S	.	.	S	Bend	trans	-78.2	117.6	-175.2	-68.7	0	0	0	0	111.5	I522 L523 L528	I522-C526 PolarHBondContact O-SG 3.04Å; I522-C526 VanDerWaalsContact O-SG 3.33Å; L523-C526 HydrophobicContact CD1-CB 4.45Å; L523-C526 VanDerWaalsContact O-CB 3.31Å; L523-C526 WeakPolarHBondContact O-CB 3.49Å; L523-C526 PolarHBondContact O-N 3.16Å; C526-L528 PolarHBondContact O-N 3.41Å
527	S	73.7	Confident	81.1	Confident	50 Å²	50	74.2 Å²	74.2	35%	0.35	37%	0.373	S	S	.	.			trans	-66.3	130	-178	-159.7	0	0	0	0	112.4	S525 R529	S525-S527 PolarHBondContact O-N 3.3Å; S527-R529 PolarHBondContact O-N 3.11Å
528	L	75.4	Confident	80.6	Confident	65 Å²	65	66.3 Å²	66.3	34%	0.34	34%	0.344	S	S	.	.	S	Bend	trans	-74.7	49.1	173.5	-56.8	-179.8	0	0	0	112.1	A393 K395 F398 C526	A393-L528 HydrophobicContact CB-CD2 3.87Å; K395-L528 HydrophobicContact CD-CD1 4.49Å; F398-L528 HydrophobicContact CE2-CD2 4.27Å; C526-L528 PolarHBondContact O-N 3.41Å
529	R	67.3	Low	80	Confident	133 Å²	133	67.2 Å²	67.2	50%	0.502	34%	0.344	S	S	.	.	S	Bend	trans	-120.4	153.6	-178.6	-69	-173.5	177.9	-158.6	1.7	110.9	N158 S527	N158-R529 PolarHBondContact N-O 3.21Å; N158-R529 VanDerWaalsContact N-O 3.12Å; S527-R529 PolarHBondContact O-N 3.11Å
530	C	69.3	Low	78.9	Confident	36 Å²	36	71.3 Å²	71.3	24%	0.243	37%	0.37	C	S	.	.			trans	-66	145.7	168.6	-68.8	0	0	0	0	109.8	I532	C530-I532 PolarHBondContact O-N 2.67Å
531	W	72.1	Confident	77.6	Confident	36 Å²	36	71.5 Å²	71.5	14%	0.136	38%	0.379	C	S	.	.			trans	-65.1	130	169	-179.4	86.9	0	0	0	109.2	N164 L166 P533	N164-W531 HydrophobicContact CB-CE3 3.9Å; N164-W531 HydrophobicContact CB-CH2 3.77Å; N164-W531 HydrophobicContact CB-CZ3 3.42Å; N164-W531 VanDerWaalsContact CB-CZ3 3.42Å; N164-W531 VanDerWaalsContact CG-CH2 3.41Å; N164-W531 WeakPolarHBondContact ND2-CZ3 3.17Å; N164-W531 VanDerWaalsContact OD1-CH2 3.31Å; N164-W531 WeakPolarHBondContact OD1-CH2 3.4Å; L166-W531 HydrophobicContact CB-CH2 4.36Å; W531-P533 HydrophobicContact CE3-CB 4.46Å; W531-P533 HydrophobicContact CH2-CB 3.72Å; W531-P533 HydrophobicContact CZ3-CB 3.54Å; W531-P533 HydrophobicContact CZ3-CG 4.08Å
532	I	77.2	Confident	75.6	Confident	132 Å²	132	74.9 Å²	74.9	68%	0.677	39%	0.386	S	S	*	.			trans	-108.1	121	-179.2	-59.4	177.5	0	0	0	108.2	C530	C530-I532 PolarHBondContact O-N 2.67Å
533	P	77.6	Confident	73.5	Confident	33 Å²	33	78 Å²	78	21%	0.214	40%	0.404	C	S	.	.			trans	-64.3	138.5	173.8	22.9	-30.3	0	0	0	110.8	I228 L264 W531	I228-P533 HydrophobicContact CD1-CB 3.78Å; L264-P533 HydrophobicContact CD2-CB 4.19Å; L264-P533 HydrophobicContact CD2-CG 3.83Å; W531-P533 HydrophobicContact CE3-CB 4.46Å; W531-P533 HydrophobicContact CH2-CB 3.72Å; W531-P533 HydrophobicContact CZ3-CB 3.54Å; W531-P533 HydrophobicContact CZ3-CG 4.08Å
534	P	84	Confident	71.3	Confident	23 Å²	23	82.1 Å²	82.1	15%	0.149	43%	0.426	C	S	.	.			trans	-60.6	156.5	166.8	28.5	-34.3	0	0	0	110.2	L166 P265 F620 L624	L166-P534 HydrophobicContact CD2-CG 3.69Å; P265-P534 WeakPolarHBondContact CD-O 3.26Å; P265-P534 WeakPolarHBondContact CG-O 3.42Å; P534-F620 HydrophobicContact CB-CE2 4.4Å; P534-F620 HydrophobicContact CB-CZ 4.27Å; P534-F620 HydrophobicContact CG-CE2 4.44Å; P534-F620 HydrophobicContact CG-CZ 3.84Å; P534-L624 HydrophobicContact CG-CD2 4.26Å
535	R	86	Confident	69.4	Low	120 Å²	120	81.1 Å²	81.1	45%	0.453	43%	0.431	S	S	.	.			trans	-104	137	174.8	-69.2	-71.9	177	151.4	-5.2	109.8	S261 G262 L263	S261-R535 WeakPolarHBondContact O-CB 3.29Å; S261-R535 VanDerWaalsContact O-CG 3.29Å; S261-R535 WeakPolarHBondContact O-CG 3.37Å; G262-R535 PolarHBondContact O-NH1 2.93Å; L263-R535 CarbonylContact O-C 3.52Å; L263-R535 WeakPolarHBondContact O-CA 3.04Å; L263-R535 VanDerWaalsContact O-CD 3.32Å; L263-R535 WeakPolarHBondContact O-CD 3.43Å
536	Y	87.4	Confident	67.7	Low	17 Å²	17	83.5 Å²	83.5	7%	0.067	44%	0.436	C	S	.	.	B	Isolated β-bridge	trans	-80.7	128.1	171.8	178.6	-127.5	0	0	0	110.6	D202 R207 D253 A256 G262 L263 P538	D202-Y536 HydrophobicContact CB-CD1 3.96Å; D202-Y536 HydrophobicContact CB-CD2 3.75Å; D202-Y536 HydrophobicContact CB-CE1 4.35Å; D202-Y536 HydrophobicContact CB-CE2 4.17Å; D202-Y536 HydrophobicContact CB-CG 3.62Å; D202-Y536 WeakPolarHBondContact O-CD2 3.3Å; D202-Y536 WeakPolarHBondContact O-CE2 3.49Å; R207-Y536 PolarHBondContact NH2-OH 3.16Å; D253-Y536 WeakPolarHBondContact OD1-CE1 3.32Å; D253-Y536 PolarHBondContact OD1-OH 2.81Å; A256-Y536 HydrophobicContact CB-CD1 3.7Å; A256-Y536 HydrophobicContact CB-CE1 3.89Å; G262-Y536 CarbonylContact C-O 3.6Å; G262-Y536 WeakPolarHBondContact CA-O 3.34Å; L263-Y536 PolarHBondContact N-O 2.81Å; L263-Y536 PolarHBondContact O-N 2.87Å; Y536-P538 HydrophobicContact CE1-CG 4.49Å; Y536-P538 HydrophobicContact CE2-CB 4.44Å
537	K	86.2	Confident	65.9	Low	110 Å²	110	89.1 Å²	89.1	48%	0.478	46%	0.464	S	S	.	.			trans	-143.6	119	163.5	-171.5	166.8	-170.3	171.9	0	107.6
538	P	81.2	Confident	64	Low	9 Å²	9	95.4 Å²	95.4	6%	0.058	49%	0.487	C	S	.	.			trans	-66.4	160.6	177.2	27.2	-34.7	0	0	0	111	D253 A256 R257 Y536	D253-P538 HydrophobicContact CB-CG 4.35Å; D253-P538 WeakPolarHBondContact O-CG 3.44Å; A256-P538 VanDerWaalsContact CB-CD 3.43Å; A256-P538 HydrophobicContact CB-CG 4.26Å; R257-P538 HydrophobicContact CG-CG 3.74Å; Y536-P538 HydrophobicContact CE1-CG 4.49Å; Y536-P538 HydrophobicContact CE2-CB 4.44Å
539	P	78.6	Confident	62	Low	88 Å²	88	103.2 Å²	103.2	57%	0.571	51%	0.512	S	S	*	.			trans	-53.5	141.6	168.6	-24	34.4	0	0	0	111.8	L204 I541	L204-P539 HydrophobicContact CD1-CG 4.33Å; P539-I541 PolarHBondContact O-N 2.84Å
540	T	68	Low	60.5	Low	95 Å²	95	102.7 Å²	102.7	58%	0.583	53%	0.526	S	S	*	.			trans	-73.4	115.7	170.6	39.5	0	0	0	0	109.5	H542	T540-H542 PolarHBondContact O-N 3.09Å
541	I	60	Low	58.9	Low	124 Å²	124	106.9 Å²	106.9	64%	0.636	55%	0.55	S	S	*	*			trans	-70.1	100.7	172.7	-51.4	176.9	0	0	0	107.6	P539 N543	P539-I541 PolarHBondContact O-N 2.84Å; I541-N543 VanDerWaalsContact C-N 3.29Å; I541-N543 VanDerWaalsContact CG2-OD1 3.26Å; I541-N543 WeakPolarHBondContact CG2-OD1 3.39Å; I541-N543 PolarHBondContact O-N 2.94Å
542	H	45.1	Very low	57.3	Low	164 Å²	164	112.2 Å²	112.2	76%	0.759	58%	0.581	S	S	*	*			trans	-74.3	87.4	167.3	-75.5	-80.5	0	0	0	108.8	T540 N544	T540-H542 PolarHBondContact O-N 3.09Å; H542-N544 VanDerWaalsContact C-N 3.25Å; H542-N544 PolarHBondContact O-N 3.21Å
543	N	39.9	Very low	55.1	Low	138 Å²	138	113.1 Å²	113.1	74%	0.738	59%	0.587	S	S	*	*			trans	-62.5	90.5	164.8	-77.1	-4.1	0	0	0	108.4	I541 P545	I541-N543 VanDerWaalsContact C-N 3.29Å; I541-N543 VanDerWaalsContact CG2-OD1 3.26Å; I541-N543 WeakPolarHBondContact CG2-OD1 3.39Å; I541-N543 PolarHBondContact O-N 2.94Å; N543-P545 VanDerWaalsContact O-CD 3.23Å; N543-P545 WeakPolarHBondContact O-CD 3.4Å
544	N	34.7	Very low	53.2	Low	100 Å²	100	118.1 Å²	118.1	54%	0.535	61%	0.613	S	S	.	*			trans	-74.4	110.1	172.8	-172.4	-1.2	0	0	0	107.9	H542 N546 L547	H542-N544 VanDerWaalsContact C-N 3.25Å; H542-N544 PolarHBondContact O-N 3.21Å; N544-N546 PolarHBondContact O-N 3.06Å; N544-L547 PolarHBondContact O-N 3.08Å
545	P	40.4	Very low	51	Low	110 Å²	110	123.6 Å²	123.6	71%	0.714	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-63.8	-16.7	-167.7	-23.7	35.8	0	0	0	114.2	N543 L547	N543-P545 VanDerWaalsContact O-CD 3.23Å; N543-P545 WeakPolarHBondContact O-CD 3.4Å; P545-L547 PolarHBondContact O-N 3.25Å
546	N	41.8	Very low	48.6	Very low	144 Å²	144	124.7 Å²	124.7	77%	0.77	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-88.6	5.8	-171.7	-63	-20.6	0	0	0	114.5	N544	N544-N546 PolarHBondContact O-N 3.06Å
547	L	38.8	Very low	45.8	Very low	145 Å²	145	132.3 Å²	132.3	76%	0.759	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-105.1	14	178.2	-105.5	77.4	0	0	0	114.8	N544 P545	N544-L547 PolarHBondContact O-N 3.08Å; P545-L547 PolarHBondContact O-N 3.25Å
548	Q	33.4	Very low	43.4	Very low	181 Å²	181	136.4 Å²	136.4	85%	0.846	72%	0.718	S	S	*	*			trans	-114.8	83.2	174.1	-69.9	-173.8	-6.4	0	0	111.8
549	R	33.1	Very low	41	Very low	230 Å²	230	142.8 Å²	142.8	87%	0.868	75%	0.751	S	S	*	*			trans	-132.1	124.4	155.3	-78.8	-170.9	173	-168.3	-1.9	108.6	V551	R549-V551 PolarHBondContact O-N 3.04Å
550	P	35.2	Very low	39	Very low	121 Å²	121	148.3 Å²	148.3	79%	0.786	77%	0.766	S	S	*	*			trans	-69.5	124	169.3	29.5	-31.7	0	0	0	108.5
551	V	36.4	Very low	37.1	Very low	125 Å²	125	148.7 Å²	148.7	76%	0.758	77%	0.773	S	S	*	*			trans	-91.6	114.2	165.8	-179.8	0	0	0	0	106.1	R549 D553	R549-V551 PolarHBondContact O-N 3.04Å; V551-D553 PolarHBondContact O-N 3.48Å
552	N	38.2	Very low	35.8	Very low	147 Å²	147	150.6 Å²	150.6	79%	0.786	78%	0.784	S	S	*	*			trans	-75.1	118.2	169.9	-73.4	-12.4	0	0	0	108.1	N554	N552-N554 PolarHBondContact O-N 2.68Å
553	D	31.2	Very low	35	Very low	151 Å²	151	148 Å²	148	81%	0.807	78%	0.784	S	S	*	*			trans	-61.9	132.3	169	-74	-49.1	0	0	0	110.3	V551	V551-D553 PolarHBondContact O-N 3.48Å
554	N	38	Very low	34.6	Very low	139 Å²	139	148 Å²	148	74%	0.743	79%	0.79	S	S	*	*			trans	-156.9	120.4	158.5	-107.6	-39.2	0	0	0	111.9	N552	N552-N554 PolarHBondContact O-N 2.68Å
555	N	36.9	Very low	34.3	Very low	138 Å²	138	148.4 Å²	148.4	74%	0.738	80%	0.8	S	S	*	*			trans	78.7	134.2	152.4	-58.1	-32.6	0	0	0	121.9
556	T	35.9	Very low	33.8	Very low	142 Å²	142	150 Å²	150	87%	0.871	80%	0.802	S	S	*	*			trans	79.1	110.8	153.5	15.5	0	0	0	0	119.4
557	E	29.7	Very low	33.1	Very low	178 Å²	178	151.9 Å²	151.9	83%	0.832	81%	0.806	S	S	*	*			trans	-64.8	151.1	163.8	-47.5	165.5	119	0	0	111.3
558	Q	35.7	Very low	32.7	Very low	195 Å²	195	151.4 Å²	151.4	91%	0.911	81%	0.809	S	S	*	*				-159.5	151.9	122.1	-113.3	175	52.6	0	0	113
559	N	31.1	Very low	32.7	Very low	143 Å²	143	149.5 Å²	149.5	77%	0.765	81%	0.814	S	S	*	*			trans	-81.7	140.6	-171.2	-63.1	-77.1	0	0	0	112.8
560	K	34.7	Very low	32.6	Very low	204 Å²	204	141.6 Å²	141.6	89%	0.887	80%	0.804	S	S	*	*				-171	142.3	115	-101.5	155.1	-173.3	173.9	0	113.2
561	S	28.3	Very low	32.6	Very low	103 Å²	103	141.4 Å²	141.4	72%	0.72	81%	0.806	S	S	*	*			trans	-74	144.8	166.3	52.8	0	0	0	0	111.5
562	N	33.5	Very low	32.6	Very low	164 Å²	164	141.6 Å²	141.6	88%	0.877	81%	0.808	S	S	*	*			trans	-164	149.7	131.9	-98.2	-16.2	0	0	0	111.1
563	S	28.1	Very low	32.4	Very low	109 Å²	109	139.3 Å²	139.3	76%	0.762	81%	0.809	S	S	*	*			trans	-88.9	144.1	174.9	52.5	0	0	0	0	111.6
564	V	32	Very low	32.6	Very low	140 Å²	140	136.4 Å²	136.4	85%	0.848	81%	0.806	S	S	*	*			trans	-158.7	148	150.1	139.3	0	0	0	0	108.5
565	S	27.8	Very low	32.5	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	81%	0.806	S	S	*	*			trans	-97.3	147.6	175.5	53.8	0	0	0	0	112.4
566	L	29.2	Very low	32.5	Very low	143 Å²	143	135 Å²	135	75%	0.749	80%	0.803	S	S	*	*			trans	-165.5	116.7	157.8	-93.5	146.1	0	0	0	106.8
567	Q	27.4	Very low	32.5	Very low	184 Å²	184	135.4 Å²	135.4	86%	0.86	80%	0.795	S	S	*	*				83.5	147.3	88.1	-87	-165.1	-13.7	0	0	116.3
568	T	30.3	Very low	32.7	Very low	134 Å²	134	132.7 Å²	132.7	82%	0.822	79%	0.786	S	S	*	*			trans	-118.2	143	-172.1	44.9	0	0	0	0	112.8
569	C	33.6	Very low	32.8	Very low	141 Å²	141	128.9 Å²	128.9	95%	0.953	78%	0.776	S	S	*	*			trans	-136.6	153.9	162.1	-68.9	0	0	0	0	108.6
570	G	32.5	Very low	32.9	Very low	64 Å²	64	128.4 Å²	128.4	66%	0.66	77%	0.773	S	S	*	*			cis	161.4	163.2	-5.2	0	0	0	0	0	111.5
571	S	34.8	Very low	32.9	Very low	118 Å²	118	126.6 Å²	126.6	83%	0.825	77%	0.77	S	S	*	*			trans	75.5	143	169.2	-56.1	0	0	0	0	117.8
572	T	34.9	Very low	33.1	Very low	129 Å²	129	128.8 Å²	128.8	79%	0.791	77%	0.773	S	S	*	*			cis	-158	149.2	-1.2	1.1	0	0	0	0	113.1
573	A	35.2	Very low	33.3	Very low	99 Å²	99	124 Å²	124	82%	0.818	76%	0.762	S	S	*	*			trans	55.8	143.2	148.7	0	0	0	0	0	120.5
574	A	36	Very low	33.7	Very low	89 Å²	89	126.5 Å²	126.5	74%	0.736	76%	0.761	S	S	*	*			cis	-169	-177.8	-11.6	0	0	0	0	0	107.2
575	T	35.6	Very low	33.8	Very low	122 Å²	122	124.6 Å²	124.6	75%	0.748	75%	0.75	S	S	*	*			cis	-157.1	172.3	6.4	-17.3	0	0	0	0	108.8
576	N	36	Very low	34.1	Very low	127 Å²	127	125.3 Å²	125.3	68%	0.679	75%	0.75	S	S	*	*			trans	16.1	141.7	151.7	-65.7	32	0	0	0	121.2
577	E	35.6	Very low	34.3	Very low	150 Å²	150	125.5 Å²	125.5	70%	0.701	75%	0.752	S	S	*	*			cis	-179	175.9	10.5	-114.4	-174	-83.4	0	0	109.4
578	N	35.4	Very low	34.4	Very low	121 Å²	121	122.9 Å²	122.9	65%	0.647	75%	0.748	S	S	*	*			cis	-165.5	-177.3	-17.2	-155.2	-21.4	0	0	0	110.1
579	V	36.2	Very low	34.6	Very low	114 Å²	114	123.2 Å²	123.2	69%	0.691	75%	0.75	S	S	*	*			trans	70.7	87	161.5	-160.4	0	0	0	0	121.4
580	N	33.8	Very low	34.3	Very low	133 Å²	133	123.2 Å²	123.2	71%	0.711	74%	0.74	S	S	*	*				39	134.8	120	-52.4	-12.6	0	0	0	124.3
581	M	34.9	Very low	34.1	Very low	166 Å²	166	125.9 Å²	125.9	82%	0.818	75%	0.748	S	S	*	*				152.3	158.9	114	-78.3	-58.8	-78.4	0	0	113
582	L	33.3	Very low	33.8	Very low	150 Å²	150	126.6 Å²	126.6	79%	0.785	75%	0.747	S	S	*	*				-154.5	150.9	-72.5	-162.4	123.8	0	0	0	111.5
583	G	35.8	Very low	33.8	Very low	62 Å²	62	125.7 Å²	125.7	64%	0.639	75%	0.746	S	S	*	*			trans	94.8	153	166.8	0	0	0	0	0	117.4
584	H	36.9	Very low	33.6	Very low	162 Å²	162	130 Å²	130	75%	0.75	75%	0.746	S	S	*	*			cis	-159.9	141.5	-4	-130.3	-82.2	0	0	0	113.6
585	T	34.1	Very low	33.3	Very low	101 Å²	101	132.9 Å²	132.9	62%	0.62	75%	0.745	S	S	*	*			trans	33.6	114.1	150.6	45.2	0	0	0	0	122.3
586	T	34.1	Very low	33.1	Very low	122 Å²	122	133.7 Å²	133.7	75%	0.748	74%	0.74	S	S	*	*				84.9	160.1	89.1	70.5	0	0	0	0	113.5
587	D	33.9	Very low	32.7	Very low	147 Å²	147	133.9 Å²	133.9	79%	0.786	74%	0.741	S	S	*	*			cis	-131.9	176.3	25.8	-65.9	-43.4	0	0	0	115.8
588	V	28.6	Very low	32.3	Very low	130 Å²	130	132.5 Å²	132.5	79%	0.788	74%	0.743	S	S	*	*			trans	-134.3	142.1	176.2	172.7	0	0	0	0	109.7
589	V	34.9	Very low	32	Very low	141 Å²	141	131.6 Å²	131.6	86%	0.855	75%	0.746	S	S	*	*			trans	-124.9	137.3	165.5	179.5	0	0	0	0	109.7
590	N	27	Very low	31.9	Very low	140 Å²	140	136.2 Å²	136.2	75%	0.749	76%	0.757	S	S	*	*			trans	-137.2	141.5	-174.7	-155.8	10.8	0	0	0	108.5
591	C	29.4	Very low	31.6	Very low	121 Å²	121	136.8 Å²	136.8	82%	0.818	76%	0.76	S	S	*	*			trans	-149.4	138.2	177.5	-95.9	0	0	0	0	111.5
592	T	29.2	Very low	31.5	Very low	132 Å²	132	135.7 Å²	135.7	81%	0.81	76%	0.763	S	S	*	*			trans	-148.7	126.2	-173.1	53.5	0	0	0	0	113.9
593	S	34.5	Very low	31.3	Very low	111 Å²	111	135.7 Å²	135.7	78%	0.776	76%	0.762	S	S	*	*			trans	-156	135.3	160.7	39.6	0	0	0	0	106.6
594	K	29.9	Very low	31.1	Very low	188 Å²	188	137.6 Å²	137.6	82%	0.817	77%	0.765	S	S	*	*				57.8	119.8	70.5	-75.3	-167.9	177.6	-171.8	0	111.2
595	E	31.1	Very low	30.6	Very low	151 Å²	151	137.5 Å²	137.5	71%	0.706	77%	0.77	S	S	*	*			cis	-157.5	163.4	24.2	-111.4	177	134.4	0	0	116.4
596	Q	29.7	Very low	30.3	Very low	139 Å²	139	140.8 Å²	140.8	65%	0.65	78%	0.779	S	S	*	*			trans	52.6	118	145.3	-66.1	-173.9	50.8	0	0	124.7
597	N	28.3	Very low	29.9	Very low	131 Å²	131	142.1 Å²	142.1	70%	0.701	78%	0.781	S	S	*	*				91.1	130.4	124.1	-68.7	-20.4	0	0	0	125.5
598	T	28.3	Very low	29.6	Very low	120 Å²	120	144.4 Å²	144.4	74%	0.736	78%	0.784	S	S	*	*			trans	72	83.4	143.9	49	0	0	0	0	122.9
599	S	28.8	Very low	29.8	Very low	103 Å²	103	145 Å²	145	72%	0.72	78%	0.778	S	S	*	*				48.6	126.8	116.9	64.9	0	0	0	0	122.7
600	K	33.2	Very low	29.8	Very low	211 Å²	211	142.3 Å²	142.3	92%	0.917	76%	0.763	S	S	*	*				-160.3	153.2	115	-107.5	162.7	-172.7	174.3	0	111.9
601	N	28.1	Very low	30.2	Very low	144 Å²	144	145.8 Å²	145.8	77%	0.77	77%	0.766	S	S	*	*			trans	-84.8	157.8	-175.6	-71.6	-26.4	0	0	0	112.7
602	T	32.7	Very low	30.6	Very low	143 Å²	143	144 Å²	144	88%	0.877	75%	0.748	S	S	*	*			trans	-135.7	122.3	150.1	-60.4	0	0	0	0	107.9
603	I	28.4	Very low	30.8	Very low	151 Å²	151	142.1 Å²	142.1	77%	0.774	74%	0.74	S	S	*	*			trans	-104.5	131.4	-178.2	-64.2	169.6	0	0	0	107.7
604	S	31.4	Very low	30.9	Very low	101 Å²	101	141.7 Å²	141.7	71%	0.706	73%	0.728	S	S	*	*			trans	-137.3	121.1	163.1	58.5	0	0	0	0	111.6	Q606	S604-Q606 PolarHBondContact O-N 3.06Å
605	N	28	Very low	31.2	Very low	160 Å²	160	137 Å²	137	86%	0.856	72%	0.717	S	S	*	*			trans	20.6	90.8	157.4	-56.1	-6.8	0	0	0	117.5	L607	N605-L607 PolarHBondContact O-N 3.44Å
606	Q	26	Very low	31.5	Very low	171 Å²	171	134.6 Å²	134.6	80%	0.799	71%	0.706	S	S	*	*			trans	-77.2	101.3	164.8	-66.8	-173.6	16.7	0	0	110.8	S604	S604-Q606 PolarHBondContact O-N 3.06Å
607	L	27.6	Very low	31.8	Very low	149 Å²	149	131 Å²	131	78%	0.78	69%	0.687	S	S	*	*			trans	-74.7	131.7	156.8	-82.9	160.5	0	0	0	109	N605 H609	N605-L607 PolarHBondContact O-N 3.44Å; L607-H609 PolarHBondContact O-N 3.29Å
608	F	26.7	Very low	32.3	Very low	196 Å²	196	134.1 Å²	134.1	86%	0.86	69%	0.689	S	S	*	*			trans	-71.5	80.9	-173.7	-97.1	-98.5	0	0	0	113
609	H	33	Very low	32.6	Very low	142 Å²	142	133 Å²	133	66%	0.657	68%	0.682	S	S	*	*			trans	-83	119.7	161.8	-74.1	-77.4	0	0	0	110.4	L607 R611	L607-H609 PolarHBondContact O-N 3.29Å; H609-R611 PolarHBondContact O-N 2.84Å
610	P	35.4	Very low	32.9	Very low	84 Å²	84	131 Å²	131	55%	0.545	66%	0.66	S	S	.	*			trans	-65.9	117.6	173.6	26.7	-32.9	0	0	0	109.6	L612	P610-L612 PolarHBondContact O-N 2.97Å
611	R	33.8	Very low	33.2	Very low	214 Å²	214	121.6 Å²	121.6	81%	0.808	62%	0.62	S	S	*	*			trans	-63.6	107.2	-173.4	-65.9	-178.3	179.6	-175.4	0	111.4	H609 S613	H609-R611 PolarHBondContact O-N 2.84Å; R611-S613 PolarHBondContact O-N 2.77Å
612	L	38.1	Very low	33.4	Very low	84 Å²	84	116.3 Å²	116.3	44%	0.44	59%	0.594	S	S	.	*	S	Bend	trans	-71.8	36.1	177.4	-74.5	166.5	0	0	0	113.9	P610	P610-L612 PolarHBondContact O-N 2.97Å
613	S	33.9	Very low	33.5	Very low	92 Å²	92	113 Å²	113	64%	0.643	58%	0.577	S	S	*	*			trans	-140.5	35	-167.1	60.9	0	0	0	0	115	R611	R611-S613 PolarHBondContact O-N 2.77Å
614	L	35.9	Very low	33.9	Very low	101 Å²	101	108 Å²	108	53%	0.529	55%	0.551	S	S	.	*			trans	-77.2	128.1	166.2	-74.8	173.2	0	0	0	111	E616 Y617	L614-E616 PolarHBondContact O-N 3.07Å; L614-E616 VanDerWaalsContact O-N 3.15Å; L614-Y617 WeakPolarHBondContact O-CB 3.35Å; L614-Y617 PolarHBondContact O-N 3.21Å
615	P	37.2	Very low	34.1	Very low	90 Å²	90	110.2 Å²	110.2	58%	0.584	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.3	-177.8	-27.8	35.7	0	0	0	114.5	Y617 R618	P615-Y617 VanDerWaalsContact C-N 3.27Å; P615-Y617 PolarHBondContact O-N 3.13Å; P615-R618 WeakPolarHBondContact O-CB 3.15Å; P615-R618 WeakPolarHBondContact O-CD 3.31Å; P615-R618 WeakPolarHBondContact O-CG 3.29Å; P615-R618 PolarHBondContact O-N 2.75Å; P615-R618 VanDerWaalsContact O-N 3.12Å
616	E	37.4	Very low	34.3	Very low	101 Å²	101	111.2 Å²	111.2	47%	0.472	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.2	-172.5	-52.8	151	101.6	0	0	113	K205 L614 R618 T619	K205-E616 IonicContact NZ-OE1 2.71Å; K205-E616 PolarHBondContact NZ-OE1 3.03Å; K205-E616 IonicContact NZ-OE2 3.32Å; K205-E616 PolarHBondContact NZ-OE2 3.17Å; L614-E616 PolarHBondContact O-N 3.07Å; L614-E616 VanDerWaalsContact O-N 3.15Å; E616-R618 PolarHBondContact O-N 3.36Å; E616-T619 WeakPolarHBondContact O-CB 3.38Å; E616-T619 PolarHBondContact O-N 3.37Å; E616-T619 PolarHBondContact O-OG1 3.12Å
617	Y	36.6	Very low	34.6	Very low	62 Å²	62	108.1 Å²	108.1	24%	0.243	52%	0.518	C	S	.	.	H	α-helix	trans	-58.7	-24.8	164.7	-133.7	-99.1	0	0	0	110.9	R173 E206 L614 P615 T619 E621	R173-Y617 PolarHBondContact NH1-OH 3.48Å; E206-Y617 PolarHBondContact OE1-OH 3.24Å; L614-Y617 WeakPolarHBondContact O-CB 3.35Å; L614-Y617 PolarHBondContact O-N 3.21Å; P615-Y617 VanDerWaalsContact C-N 3.27Å; P615-Y617 PolarHBondContact O-N 3.13Å; Y617-T619 PolarHBondContact O-N 3.3Å; Y617-E621 WeakPolarHBondContact O-CB 3.47Å; Y617-E621 PolarHBondContact O-N 3.05Å
618	R	37.1	Very low	34.6	Very low	198 Å²	198	105.3 Å²	105.3	75%	0.747	51%	0.508	S	S	*	.	H	α-helix	trans	-63	-24	169.7	-62.7	176.4	-179	-158.6	2.5	113.1	P615 E616 S622	P615-R618 WeakPolarHBondContact O-CB 3.15Å; P615-R618 WeakPolarHBondContact O-CD 3.31Å; P615-R618 WeakPolarHBondContact O-CG 3.29Å; P615-R618 PolarHBondContact O-N 2.75Å; P615-R618 VanDerWaalsContact O-N 3.12Å; E616-R618 PolarHBondContact O-N 3.36Å; R618-S622 WeakPolarHBondContact O-CA 3.15Å; R618-S622 WeakPolarHBondContact O-CB 3.39Å; R618-S622 PolarHBondContact O-N 2.72Å; R618-S622 PolarHBondContact O-OG 2.75Å
619	T	36	Very low	34.7	Very low	96 Å²	96	102.9 Å²	102.9	59%	0.589	51%	0.509	S	S	*	.	H	α-helix	trans	-73.4	-52	-178	-34.8	0	0	0	0	109.9	E616 Y617 S622 S623	E616-T619 WeakPolarHBondContact O-CB 3.38Å; E616-T619 PolarHBondContact O-N 3.37Å; E616-T619 PolarHBondContact O-OG1 3.12Å; Y617-T619 PolarHBondContact O-N 3.3Å; T619-S622 PolarHBondContact O-N 2.71Å; T619-S622 PolarHBondContact O-OG 2.9Å; T619-S622 VanDerWaalsContact O-OG 3.12Å; T619-S623 PolarHBondContact O-N 3.32Å
620	F	34.4	Very low	34.4	Very low	61 Å²	61	99.5 Å²	99.5	27%	0.268	50%	0.499	S	S	.	.	H	α-helix	trans	-60.4	-47	172.6	-168.8	-107	0	0	0	111	I170 P534 S622 S623 L624	I170-F620 HydrophobicContact CD1-CE1 4.04Å; P534-F620 HydrophobicContact CB-CE2 4.4Å; P534-F620 HydrophobicContact CB-CZ 4.27Å; P534-F620 HydrophobicContact CG-CE2 4.44Å; P534-F620 HydrophobicContact CG-CZ 3.84Å; F620-S622 PolarHBondContact O-N 3.17Å; F620-S623 PolarHBondContact O-N 3.4Å; F620-S623 PolarHBondContact O-OG 2.76Å; F620-L624 HydrophobicContact CD1-CD1 4.01Å; F620-L624 HydrophobicContact CE1-CD1 3.9Å; F620-L624 PolarHBondContact O-N 3Å
621	E	39.6	Very low	34.1	Very low	14 Å²	14	99.8 Å²	99.8	7%	0.065	50%	0.502	C	S	.	.	H	α-helix	trans	-67.4	-29.4	176.6	-87.7	-166.6	-131.2	0	0	115.1	R177 Y617 S623 L624 R625	R177-E621 IonicContact CZ-OE1 3.53Å; R177-E621 IonicContact CZ-OE2 2.75Å; R177-E621 IonicContact NH1-OE1 3.46Å; R177-E621 PolarHBondContact NH1-OE1 3.33Å; R177-E621 IonicContact NH1-OE2 3.05Å; R177-E621 IonicContact NH2-OE1 2.73Å; R177-E621 PolarHBondContact NH2-OE1 2.92Å; R177-E621 IonicContact NH2-OE2 3.54Å; R177-E621 PolarHBondContact NH2-OE2 3.15Å; Y617-E621 WeakPolarHBondContact O-CB 3.47Å; Y617-E621 PolarHBondContact O-N 3.05Å; E621-S623 PolarHBondContact O-N 3.38Å; E621-L624 CarbonylContact O-C 3.38Å; E621-L624 WeakPolarHBondContact O-CA 3.38Å; E621-L624 PolarHBondContact O-N 2.85Å; E621-L624 VanDerWaalsContact O-N 3.07Å; E621-R625 WeakPolarHBondContact O-CB 3.49Å; E621-R625 VanDerWaalsContact O-CG 3.3Å; E621-R625 WeakPolarHBondContact O-CG 3.14Å; E621-R625 PolarHBondContact O-N 2.89Å; E621-R625 IonicContact OE2-CZ 3.52Å; E621-R625 VanDerWaalsContact OE2-CZ 3.26Å; E621-R625 IonicContact OE2-NE 3.39Å; E621-R625 PolarHBondContact OE2-NE 2.99Å; E621-R625 IonicContact OE2-NH2 2.7Å; E621-R625 PolarHBondContact OE2-NH2 3.43Å
622	S	33	Very low	33.8	Very low	32 Å²	32	96 Å²	96	22%	0.224	50%	0.498	C	S	.	.	H	α-helix	trans	-72.7	-17.5	177.1	76.8	0	0	0	0	112.5	R618 T619 F620 R626	R618-S622 WeakPolarHBondContact O-CA 3.15Å; R618-S622 WeakPolarHBondContact O-CB 3.39Å; R618-S622 PolarHBondContact O-N 2.72Å; R618-S622 PolarHBondContact O-OG 2.75Å; T619-S622 PolarHBondContact O-N 2.71Å; T619-S622 PolarHBondContact O-OG 2.9Å; T619-S622 VanDerWaalsContact O-OG 3.12Å; F620-S622 PolarHBondContact O-N 3.17Å; S622-R626 VanDerWaalsContact O-CB 3.26Å; S622-R626 WeakPolarHBondContact O-CB 3.48Å; S622-R626 WeakPolarHBondContact O-CG 3.42Å; S622-R626 PolarHBondContact O-N 3.05Å; S622-R626 VanDerWaalsContact O-N 3.13Å; S622-R626 PolarHBondContact O-NE 3.39Å; S622-R626 PolarHBondContact OG-NH2 3.47Å
623	S	33.6	Very low	33.3	Very low	74 Å²	74	97.5 Å²	97.5	52%	0.517	51%	0.511	S	S	.	.	H	α-helix	trans	-77.7	-32.9	165.8	79	0	0	0	0	112.1	T619 F620 E621	T619-S623 PolarHBondContact O-N 3.32Å; F620-S623 PolarHBondContact O-N 3.4Å; F620-S623 PolarHBondContact O-OG 2.76Å; E621-S623 PolarHBondContact O-N 3.38Å
624	L	37.2	Very low	33.2	Very low	47 Å²	47	99.6 Å²	99.6	25%	0.246	51%	0.512	C	S	.	.	H	α-helix	trans	-77.4	-24.7	173.3	-64.2	171.4	0	0	0	113.6	I170 P534 F620 E621	I170-L624 HydrophobicContact CD1-CD1 3.78Å; I170-L624 HydrophobicContact CG2-CD1 4.5Å; P534-L624 HydrophobicContact CG-CD2 4.26Å; F620-L624 HydrophobicContact CD1-CD1 4.01Å; F620-L624 HydrophobicContact CE1-CD1 3.9Å; F620-L624 PolarHBondContact O-N 3Å; E621-L624 CarbonylContact O-C 3.38Å; E621-L624 WeakPolarHBondContact O-CA 3.38Å; E621-L624 PolarHBondContact O-N 2.85Å; E621-L624 VanDerWaalsContact O-N 3.07Å
625	R	36.2	Very low	32.9	Very low	146 Å²	146	102.3 Å²	102.3	55%	0.551	53%	0.527	S	S	*	.	H	α-helix	trans	-91.2	-27.5	178.5	-69.1	174.3	-172.2	-103.8	-2.9	112.8	D174 E621 Y627	D174-R625 IonicContact OD1-NH2 2.76Å; D174-R625 PolarHBondContact OD1-NH2 3.17Å; E621-R625 WeakPolarHBondContact O-CB 3.49Å; E621-R625 VanDerWaalsContact O-CG 3.3Å; E621-R625 WeakPolarHBondContact O-CG 3.14Å; E621-R625 PolarHBondContact O-N 2.89Å; E621-R625 IonicContact OE2-CZ 3.52Å; E621-R625 VanDerWaalsContact OE2-CZ 3.26Å; E621-R625 IonicContact OE2-NE 3.39Å; E621-R625 PolarHBondContact OE2-NE 2.99Å; E621-R625 IonicContact OE2-NH2 2.7Å; E621-R625 PolarHBondContact OE2-NH2 3.43Å; R625-Y627 PolarHBondContact O-N 3.23Å
626	R	31.7	Very low	32.7	Very low	181 Å²	181	105.2 Å²	105.2	68%	0.683	54%	0.538	S	S	*	.			trans	-85.3	81.5	174	-77.3	-176.6	-85.4	-159.5	-6.3	111.4	S622 P628	S622-R626 VanDerWaalsContact O-CB 3.26Å; S622-R626 WeakPolarHBondContact O-CB 3.48Å; S622-R626 WeakPolarHBondContact O-CG 3.42Å; S622-R626 PolarHBondContact O-N 3.05Å; S622-R626 VanDerWaalsContact O-N 3.13Å; S622-R626 PolarHBondContact O-NE 3.39Å; S622-R626 PolarHBondContact OG-NH2 3.47Å; R626-P628 VanDerWaalsContact O-CD 3.29Å; R626-P628 WeakPolarHBondContact O-CD 3.37Å
627	Y	33.2	Very low	32.3	Very low	107 Å²	107	109.4 Å²	109.4	42%	0.42	56%	0.555	S	S	.	*			trans	-61.1	119	153.5	-69.9	-77.6	0	0	0	108.6	R625 V629	R625-Y627 PolarHBondContact O-N 3.23Å; Y627-V629 PolarHBondContact O-N 3.21Å
628	P	27.6	Very low	32.2	Very low	89 Å²	89	114.2 Å²	114.2	58%	0.578	58%	0.583	S	S	*	*			trans	-71	118	173.8	29.1	-32.9	0	0	0	108.8	R626 T630	R626-P628 VanDerWaalsContact O-CD 3.29Å; R626-P628 WeakPolarHBondContact O-CD 3.37Å; P628-T630 HydrophobicContact CB-CG2 4.19Å; P628-T630 PolarHBondContact O-N 3Å
629	V	27.5	Very low	31.7	Very low	145 Å²	145	112.8 Å²	112.8	88%	0.879	59%	0.589	S	S	*	*			trans	-73.7	75.2	166.3	-174.3	0	0	0	0	107.7	Y627 S631	Y627-V629 PolarHBondContact O-N 3.21Å; V629-S631 PolarHBondContact O-N 3.12Å
630	T	27.4	Very low	31.5	Very low	72 Å²	72	113.6 Å²	113.6	44%	0.442	60%	0.596	S	S	.	*			trans	-69.8	100.2	169	56.2	0	0	0	0	108.1	P628	P628-T630 HydrophobicContact CB-CG2 4.19Å; P628-T630 PolarHBondContact O-N 3Å
631	S	27.9	Very low	31.3	Very low	89 Å²	89	122.4 Å²	122.4	62%	0.622	63%	0.627	S	S	*	*			trans	-57.2	140.7	162.4	43.5	0	0	0	0	109.3	V629 T633	V629-S631 PolarHBondContact O-N 3.12Å; S631-T633 PolarHBondContact O-N 2.7Å
632	N	27.5	Very low	30.8	Very low	134 Å²	134	132.7 Å²	132.7	72%	0.717	67%	0.666	S	S	*	*			trans	-80.4	64.3	-178.8	-86.1	-21.7	0	0	0	111.5	M634	N632-M634 PolarHBondContact O-N 3.46Å
633	T	28.4	Very low	30.9	Very low	117 Å²	117	139 Å²	139	72%	0.718	70%	0.697	S	S	*	*			trans	-82.5	82.3	164	40.8	0	0	0	0	109.6	S631 N635	S631-T633 PolarHBondContact O-N 2.7Å; T633-N635 PolarHBondContact O-N 2.73Å
634	M	32.4	Very low	30.7	Very low	135 Å²	135	141.2 Å²	141.2	67%	0.665	71%	0.707	S	S	*	*			trans	-69.2	121.3	168.2	-77.7	-147.7	-179.2	0	0	110.2	N632 N636	N632-M634 PolarHBondContact O-N 3.46Å; M634-N636 VanDerWaalsContact C-N 3.28Å; M634-N636 PolarHBondContact O-N 3.3Å
635	N	28.6	Very low	30.5	Very low	158 Å²	158	147.3 Å²	147.3	85%	0.845	74%	0.74	S	S	*	*			trans	-69.1	79.7	171.4	-79.8	-32.7	0	0	0	111.4	T633 K637	T633-N635 PolarHBondContact O-N 2.73Å; N635-K637 PolarHBondContact O-N 3.04Å
636	N	33.1	Very low	30.3	Very low	152 Å²	152	145 Å²	145	81%	0.813	75%	0.751	S	S	*	*			trans	-83.5	98.1	156.6	-81.8	6.2	0	0	0	108.5	M634	M634-N636 VanDerWaalsContact C-N 3.28Å; M634-N636 PolarHBondContact O-N 3.3Å
637	K	30.3	Very low	30.2	Very low	189 Å²	189	147.9 Å²	147.9	82%	0.822	76%	0.762	S	S	*	*			trans	-66.4	167.7	157.8	-70.5	-175.8	175.1	-176.8	0	109.2	N635	N635-K637 PolarHBondContact O-N 3.04Å
638	I	34	Very low	30	Very low	163 Å²	163	151.6 Å²	151.6	84%	0.836	78%	0.784	S	S	*	*			trans	81.6	98.8	-174.2	-49.1	172.6	0	0	0	112.4
639	L	26.8	Very low	30.1	Very low	168 Å²	168	152.8 Å²	152.8	88%	0.88	79%	0.794	S	S	*	*			trans	-108	129.3	169.8	-146.6	88.4	0	0	0	108.6
640	P	30.4	Very low	30.3	Very low	112 Å²	112	154.2 Å²	154.2	73%	0.727	80%	0.796	S	S	*	*			trans	-83.3	165.3	154	-15.7	32.5	0	0	0	111.2
641	R	30.6	Very low	30.3	Very low	246 Å²	246	159.6 Å²	159.6	93%	0.928	82%	0.816	S	S	*	*			trans	-82.7	159.3	-173.4	-74.8	176.1	169.1	171.4	-4.3	113.7
642	R	29.6	Very low	30.5	Very low	231 Å²	231	163 Å²	163	87%	0.872	83%	0.827	S	S	*	*			trans	-11	140.7	159.2	-71.3	175.1	167.9	162.5	-5.1	116.5
643	N	35.2	Very low	30.6	Very low	165 Å²	165	161.5 Å²	161.5	88%	0.882	83%	0.827	S	S	*	*				-142.3	156.8	115.4	-108.4	-19.2	0	0	0	111.8
644	T	29.9	Very low	30.6	Very low	119 Å²	119	166.2 Å²	166.2	73%	0.73	84%	0.838	S	S	*	*			trans	-93.5	-179.6	178.4	38.9	0	0	0	0	111.6
645	L	31.9	Very low	30.5	Very low	176 Å²	176	168.1 Å²	168.1	92%	0.921	85%	0.845	S	S	*	*			trans	81.5	136.9	-169.7	-49.1	165.6	0	0	0	112.3
646	A	32.8	Very low	30.5	Very low	97 Å²	97	167.2 Å²	167.2	80%	0.802	85%	0.846	S	S	*	*			cis	-118	141.6	2.9	0	0	0	0	0	112.9
647	R	28.9	Very low	30.5	Very low	242 Å²	242	166.4 Å²	166.4	91%	0.913	84%	0.84	S	S	*	*			trans	-108	113.6	157.5	-97.3	-176.5	169.3	176.6	-4.3	106.8
648	Q	30.3	Very low	30.5	Very low	185 Å²	185	163.4 Å²	163.4	86%	0.864	83%	0.828	S	S	*	*			trans	-167	152.5	161.5	-110	161.8	9.8	0	0	109.2
649	S	28.9	Very low	30.4	Very low	114 Å²	114	163.5 Å²	163.5	80%	0.797	83%	0.83	S	S	*	*	S	Bend	trans	65.2	155.9	-161	79.4	0	0	0	0	114.9
650	L	31.4	Very low	30.9	Very low	174 Å²	174	161.8 Å²	161.8	91%	0.911	82%	0.817	S	S	*	*			trans	63.7	42.3	-177.9	-60.4	173	0	0	0	116.6
651	Q	28.5	Very low	31.1	Very low	186 Å²	186	162.3 Å²	162.3	87%	0.869	81%	0.814	S	S	*	*			trans	-112.3	103.8	134.8	-79.2	-173.2	-100.9	0	0	108.1
652	D	31.2	Very low	31.3	Very low	159 Å²	159	157.6 Å²	157.6	85%	0.85	81%	0.805	S	S	*	*			trans	-170.5	165.1	144.1	-108.2	-32.3	0	0	0	111.6
653	S	30.2	Very low	31.3	Very low	104 Å²	104	151.4 Å²	151.4	73%	0.727	80%	0.798	S	S	*	*			trans	58.2	77.1	179.8	63.9	0	0	0	0	116.4	Q655	S653-Q655 PolarHBondContact O-N 2.89Å
654	K	28.6	Very low	31.1	Very low	215 Å²	215	151.3 Å²	151.3	94%	0.935	79%	0.792	S	S	*	*			trans	-71.9	113	144.7	-76.1	-179.4	177.5	177.7	0	107.8
655	Q	29.9	Very low	31.2	Very low	175 Å²	175	155.1 Å²	155.1	82%	0.818	80%	0.798	S	S	*	*			trans	-132.3	125.2	162.7	-89.6	-174.2	-22.1	0	0	110.9	S653 I657	S653-Q655 PolarHBondContact O-N 2.89Å; Q655-I657 PolarHBondContact O-N 3.07Å
656	T	29.2	Very low	31.3	Very low	140 Å²	140	154.2 Å²	154.2	86%	0.859	79%	0.793	S	S	*	*			trans	-82.3	103	176.6	-50	0	0	0	0	108.3	H658	T656-H658 PolarHBondContact O-N 3.41Å
657	I	33	Very low	31.3	Very low	135 Å²	135	155.3 Å²	155.3	69%	0.692	79%	0.792	S	S	*	*			trans	-73.4	117.2	178.1	-59.8	177.7	0	0	0	108.8	Q655	Q655-I657 PolarHBondContact O-N 3.07Å
658	H	29.1	Very low	31.3	Very low	126 Å²	126	152.2 Å²	152.2	58%	0.583	79%	0.788	S	S	*	*			trans	-77.8	150.6	176.5	-146.8	-93.5	0	0	0	110.2	T656 Q660	T656-H658 PolarHBondContact O-N 3.41Å; H658-Q660 PolarHBondContact CE1-OE1 3.07Å; H658-Q660 PolarHBondContact ND1-OE1 3.25Å; H658-Q660 PolarHBondContact O-N 2.89Å
659	L	32.1	Very low	31.6	Very low	165 Å²	165	149 Å²	149	86%	0.864	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	24.1	-174.9	-81.6	165.7	0	0	0	114.6
660	Q	37.5	Very low	31.7	Very low	132 Å²	132	151.7 Å²	151.7	62%	0.617	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-27.4	176.6	-99.4	78.1	15.1	0	0	113.8	H658 I662	H658-Q660 PolarHBondContact CE1-OE1 3.07Å; H658-Q660 PolarHBondContact ND1-OE1 3.25Å; H658-Q660 PolarHBondContact O-N 2.89Å; Q660-I662 PolarHBondContact O-N 3.15Å
661	D	34.2	Very low	31.9	Very low	123 Å²	123	148.2 Å²	148.2	66%	0.658	77%	0.773	S	S	*	*	S	Bend	trans	-92.3	8.6	-160.8	-54.4	-42.8	0	0	0	115.1
662	I	35.2	Very low	31.9	Very low	146 Å²	146	147.9 Å²	147.9	75%	0.749	77%	0.769	S	S	*	*			trans	-103.1	52.9	-179.2	-41.7	-179.2	0	0	0	110.4	Q660	Q660-I662 PolarHBondContact O-N 3.15Å
663	S	29.8	Very low	31.9	Very low	101 Å²	101	148.3 Å²	148.3	71%	0.706	77%	0.769	S	S	*	*			trans	-119.9	-12.7	-176.9	63.3	0	0	0	0	115.1
664	E	30.8	Very low	31.7	Very low	164 Å²	164	148.8 Å²	148.8	77%	0.766	77%	0.768	S	S	*	*	S	Bend	trans	-118.4	152	-176.7	-61.9	-168.2	165	0	0	113.2
665	K	32.4	Very low	31.8	Very low	198 Å²	198	144.9 Å²	144.9	86%	0.861	76%	0.762	S	S	*	*			trans	74.8	62.5	178.1	-54.5	172.4	-176.7	167.9	0	117
666	I	34.3	Very low	31.8	Very low	157 Å²	157	145.9 Å²	145.9	81%	0.805	76%	0.764	S	S	*	*			trans	-121.2	124.5	147.5	-61.2	-179.8	0	0	0	108.6
667	P	32	Very low	31.8	Very low	120 Å²	120	148.1 Å²	148.1	78%	0.779	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-68.8	135.7	177.7	-19.9	33	0	0	0	112.9
668	Q	29	Very low	31.8	Very low	178 Å²	178	147 Å²	147	83%	0.832	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-82.7	134.1	175.4	-67.1	-75	-7.3	0	0	111.5
669	P	35.9	Very low	31.9	Very low	117 Å²	117	150.4 Å²	150.4	76%	0.76	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-96.7	118.5	160.9	33.2	-26.3	0	0	0	110.7
670	E	31.1	Very low	31.9	Very low	171 Å²	171	152.9 Å²	152.9	80%	0.799	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-73.7	139.8	-178.9	-58.3	-177.9	132	0	0	113.4
671	S	37	Very low	31.7	Very low	101 Å²	101	154.9 Å²	154.9	71%	0.706	79%	0.788	S	S	*	*			trans	-179.3	139.7	131.2	30.3	0	0	0	0	110.8
672	F	28.4	Very low	31.4	Very low	178 Å²	178	157 Å²	157	78%	0.781	80%	0.799	S	S	*	*			trans	-93	153.4	-169.7	-71	-104.9	0	0	0	113.4
673	I	30	Very low	31.3	Very low	168 Å²	168	159.3 Å²	159.3	86%	0.862	80%	0.804	S	S	*	*				-159.2	129.9	124.4	-97.8	152	0	0	0	107.5
674	T	27.2	Very low	31.3	Very low	114 Å²	114	160.7 Å²	160.7	70%	0.699	81%	0.808	S	S	*	*			trans	-114.6	124.1	-170.4	-55.4	0	0	0	0	111.1
675	V	29.3	Very low	31.4	Very low	134 Å²	134	160.4 Å²	160.4	81%	0.812	81%	0.81	S	S	*	*			trans	-115.7	118.8	169.5	-177.9	0	0	0	0	109
676	K	31.1	Very low	31.5	Very low	196 Å²	196	157.9 Å²	157.9	85%	0.852	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-73.4	136.7	-177.1	-64.4	177.9	179.6	176.7	0	111.1
677	Q	29.3	Very low	31.3	Very low	187 Å²	187	154.2 Å²	154.2	87%	0.874	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-88.3	136.6	162.9	-69.3	-172.4	-5.3	0	0	110.4
678	P	32.9	Very low	31.4	Very low	111 Å²	111	155.3 Å²	155.3	72%	0.721	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-77.4	130.1	172.5	30.9	-32.5	0	0	0	110.9
679	K	30.4	Very low	31.4	Very low	198 Å²	198	153 Å²	153	86%	0.861	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-87.4	122.5	165.6	-67.2	-179.3	179.7	179.4	0	108.8
680	Y	32.8	Very low	31.3	Very low	216 Å²	216	151.6 Å²	151.6	85%	0.847	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-98.5	120.5	160.2	-88.1	-87.7	0	0	0	109.1
681	Q	33	Very low	31.5	Very low	175 Å²	175	150.7 Å²	150.7	82%	0.818	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-100.6	123.4	166.6	-73.7	-177.9	-39.5	0	0	108.1	K683	Q681-K683 PolarHBondContact O-N 3.42Å
682	N	28	Very low	31.5	Very low	167 Å²	167	150.1 Å²	150.1	89%	0.893	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-69.8	125.8	168.2	-71.7	-11.6	0	0	0	108.8
683	K	33.4	Very low	31.9	Very low	194 Å²	194	147.8 Å²	147.8	84%	0.843	78%	0.782	S	S	*	*			trans	-122.8	126	164	-109.2	-174.4	174.7	-175.4	0	109	Q681	Q681-K683 PolarHBondContact O-N 3.42Å
684	T	28.8	Very low	32.1	Very low	130 Å²	130	146.2 Å²	146.2	80%	0.798	78%	0.776	S	S	*	*			trans	-64.2	140.8	179.2	-32.3	0	0	0	0	110.7
685	I	32.9	Very low	32.4	Very low	159 Å²	159	146.3 Å²	146.3	82%	0.815	78%	0.776	S	S	*	*			trans	-127	122	165.4	-63.6	179	0	0	0	107.3
686	N	34.7	Very low	32.4	Very low	144 Å²	144	144.3 Å²	144.3	77%	0.77	77%	0.768	S	S	*	*			trans	-94.2	128.8	170.6	-85.5	-7	0	0	0	109.8
687	A	30.3	Very low	32.4	Very low	80 Å²	80	140.4 Å²	140.4	66%	0.661	76%	0.761	S	S	*	*			trans	56.7	135	130.9	0	0	0	0	0	121.9
688	N	33.3	Very low	32.4	Very low	143 Å²	143	137.5 Å²	137.5	77%	0.765	75%	0.752	S	S	*	*			trans	85	111.1	140.8	-63.1	-5.5	0	0	0	121
689	T	30.5	Very low	32.3	Very low	130 Å²	130	138.1 Å²	138.1	80%	0.798	75%	0.749	S	S	*	*			trans	56.5	146.6	131	51.6	0	0	0	0	121.1
690	S	34	Very low	32.4	Very low	88 Å²	88	134.7 Å²	134.7	62%	0.615	74%	0.74	S	S	*	*			cis	-167.8	167.8	-3.8	42	0	0	0	0	110.2
691	N	34.5	Very low	32.3	Very low	151 Å²	151	130.3 Å²	130.3	81%	0.807	73%	0.731	S	S	*	*			trans	67.7	149	157.3	-66.5	-3.7	0	0	0	117.7
692	S	36.1	Very low	32.4	Very low	90 Å²	90	128.5 Å²	128.5	63%	0.629	73%	0.727	S	S	*	*			cis	-167.3	163.2	-14.3	47.4	0	0	0	0	111.7
693	N	37.3	Very low	32.8	Very low	129 Å²	129	126.9 Å²	126.9	69%	0.69	72%	0.718	S	S	*	*			trans	72.8	116.5	150.1	-64.2	-9.2	0	0	0	121.1
694	N	34.6	Very low	32.9	Very low	135 Å²	135	124.3 Å²	124.3	72%	0.722	71%	0.714	S	S	*	*				74.7	141.3	123.1	-59.7	-3.6	0	0	0	119.1
695	T	32.4	Very low	33.3	Very low	116 Å²	116	124.4 Å²	124.4	71%	0.712	71%	0.709	S	S	*	*			cis	-161.4	159.1	-0.6	5.2	0	0	0	0	111.9
696	S	30.7	Very low	33.5	Very low	92 Å²	92	121.3 Å²	121.3	64%	0.643	70%	0.701	S	S	*	*			trans	24.3	141.5	141.9	71	0	0	0	0	121.3
697	T	30	Very low	33.6	Very low	114 Å²	114	121.1 Å²	121.1	70%	0.699	70%	0.7	S	S	*	*			cis	-176	164.2	11.6	10.1	0	0	0	0	112.6
698	N	30.8	Very low	33.8	Very low	126 Å²	126	121.9 Å²	121.9	67%	0.674	70%	0.7	S	S	*	*			trans	66	118.3	141.1	-67.7	-3.5	0	0	0	123.6
699	N	30.5	Very low	33.8	Very low	123 Å²	123	126.3 Å²	126.3	66%	0.658	71%	0.706	S	S	*	*				83.3	122.8	118.2	-64.3	-1.7	0	0	0	124
700	N	31	Very low	33.8	Very low	126 Å²	126	131.1 Å²	131.1	67%	0.674	71%	0.71	S	S	*	*				80.8	130.2	127.4	-65.2	-2.2	0	0	0	123
701	N	31.8	Very low	33.7	Very low	125 Å²	125	133.7 Å²	133.7	67%	0.668	72%	0.715	S	S	*	*			trans	51.3	120.6	135.9	-50.7	-9.7	0	0	0	118.8
702	N	35.5	Very low	33.6	Very low	137 Å²	137	132.7 Å²	132.7	73%	0.733	71%	0.714	S	S	*	*				-174.4	137.9	70.3	-96.9	-58.4	0	0	0	114.8
703	N	34.8	Very low	33.4	Very low	133 Å²	133	134.4 Å²	134.4	71%	0.711	72%	0.722	S	S	*	*				36.9	152.5	125.3	-77.9	-14.2	0	0	0	125.2
704	N	37.1	Very low	33.4	Very low	139 Å²	139	136.1 Å²	136.1	74%	0.743	73%	0.731	S	S	*	*			trans	83.6	143.9	153.5	-62.2	-19.2	0	0	0	117.7
705	N	36.2	Very low	33.3	Very low	132 Å²	132	137.6 Å²	137.6	71%	0.706	74%	0.738	S	S	*	*			cis	-158.7	178.1	1.5	-140.5	-20.9	0	0	0	115.3
706	C	37.4	Very low	33.4	Very low	95 Å²	95	135.4 Å²	135.4	64%	0.642	74%	0.739	S	S	*	*			trans	73.7	147	160.2	-62.4	0	0	0	0	118.1
707	N	37	Very low	33.6	Very low	140 Å²	140	137.6 Å²	137.6	75%	0.749	74%	0.744	S	S	*	*			cis	-172.8	167.5	-13.9	-101.6	-21.1	0	0	0	108.3
708	S	33.6	Very low	33.8	Very low	95 Å²	95	140.1 Å²	140.1	66%	0.664	75%	0.748	S	S	*	*			cis	-176	172.7	-28.7	-170.1	0	0	0	0	110
709	R	33.3	Very low	34	Very low	236 Å²	236	138.9 Å²	138.9	89%	0.891	75%	0.749	S	S	*	*			trans	71.5	123.4	173.5	-49.2	-179.2	-173.4	-177.2	2.3	117
710	R	30.7	Very low	34.2	Very low	232 Å²	232	139.2 Å²	139.2	88%	0.875	76%	0.756	S	S	*	*			cis	114.2	145.7	-7.6	-153.8	-164.2	-166.5	-166.5	5.9	116
711	I	32.2	Very low	34.2	Very low	141 Å²	141	141.4 Å²	141.4	72%	0.723	76%	0.759	S	S	*	*			trans	83.7	139.2	166.2	-47.3	-179.3	0	0	0	114
712	T	33.1	Very low	34.1	Very low	130 Å²	130	143.1 Å²	143.1	80%	0.798	76%	0.763	S	S	*	*			cis	-135	177.4	6.1	-13	0	0	0	0	113.3
713	T	32.2	Very low	33.7	Very low	127 Å²	127	143.3 Å²	143.3	78%	0.779	76%	0.763	S	S	*	*			trans	-115.1	163.4	166.7	48.1	0	0	0	0	111.5
714	D	35.4	Very low	33.5	Very low	165 Å²	165	144 Å²	144	88%	0.882	77%	0.765	S	S	*	*			trans	-156.9	162.4	150.6	-136.2	-29	0	0	0	112.8
715	D	33.4	Very low	33	Very low	165 Å²	165	141.6 Å²	141.6	88%	0.882	76%	0.759	S	S	*	*			trans	-106.8	166.2	-165	-94.7	-54.7	0	0	0	116
716	G	34.9	Very low	32.5	Very low	71 Å²	71	142.4 Å²	142.4	73%	0.732	76%	0.763	S	S	*	*			trans	-161.6	31.3	-168.3	0	0	0	0	0	121.4
717	N	35.2	Very low	31.9	Very low	138 Å²	138	146.2 Å²	146.2	74%	0.738	78%	0.776	S	S	*	*			trans	31.9	125.5	157.2	-89.8	-46.4	0	0	0	123.4
718	Q	33.4	Very low	31.5	Very low	166 Å²	166	150 Å²	150	78%	0.776	78%	0.782	S	S	*	*			trans	65.1	141.4	137.5	-60.2	171.9	43.8	0	0	118.7
719	S	34.6	Very low	31.1	Very low	100 Å²	100	151.9 Å²	151.9	70%	0.699	78%	0.784	S	S	*	*			cis	-154.2	-171.8	5.2	-130.1	0	0	0	0	108.4
720	T	34.5	Very low	30.8	Very low	131 Å²	131	146.6 Å²	146.6	80%	0.804	78%	0.782	S	S	*	*			cis	-140	-120	22.5	-42	0	0	0	0	111.8
721	K	31.4	Very low	30.6	Very low	172 Å²	172	140.9 Å²	140.9	75%	0.748	77%	0.773	S	S	*	*			trans	-162.8	159.7	-165.6	-104.9	-179.4	-174.9	175.6	0	113.4
722	Q	30.2	Very low	30.3	Very low	160 Å²	160	144.1 Å²	144.1	75%	0.748	78%	0.782	S	S	*	*			trans	75.3	144.6	144.9	-75.1	169	-65.7	0	0	119.7
723	I	27.3	Very low	30	Very low	141 Å²	141	142.2 Å²	142.2	72%	0.723	77%	0.774	S	S	*	*			cis	-149.9	178.1	-13.3	-74.1	140.5	0	0	0	108.1
724	I	29.6	Very low	29.8	Very low	147 Å²	147	145.7 Å²	145.7	75%	0.754	78%	0.778	S	S	*	*			trans	102.2	75.2	160	-48.8	-176.8	0	0	0	117
725	S	26.8	Very low	29.4	Very low	89 Å²	89	145.6 Å²	145.6	62%	0.622	77%	0.772	S	S	*	*				39.4	150.8	124.7	67.8	0	0	0	0	124.3
726	N	26.5	Very low	29.1	Very low	150 Å²	150	144.9 Å²	144.9	80%	0.802	77%	0.769	S	S	*	*			trans	90	53.8	156.2	-58.5	-13.2	0	0	0	119.1
727	L	25.1	Very low	28.7	Very low	175 Å²	175	149.3 Å²	149.3	92%	0.916	78%	0.775	S	S	*	*			trans	-128.1	125.5	142.2	-76.1	173.6	0	0	0	108.7
728	Y	29	Very low	28.4	Very low	218 Å²	218	147.7 Å²	147.7	86%	0.855	76%	0.763	S	S	*	*			trans	-131.8	126.6	175.7	-118	-74.2	0	0	0	110.4
729	D	25.3	Very low	28.2	Very low	136 Å²	136	145.9 Å²	145.9	73%	0.727	76%	0.762	S	S	*	*			trans	14.2	128.2	161.9	-61.5	-39.3	0	0	0	120.9
730	C	26.2	Very low	27.9	Very low	124 Å²	124	146.5 Å²	146.5	84%	0.838	75%	0.753	S	S	*	*				-152.3	146.7	97.4	-153.5	0	0	0	0	114.4
731	T	26.4	Very low	28	Very low	113 Å²	113	142.3 Å²	142.3	69%	0.693	73%	0.729	S	S	*	*			trans	-57.5	146.9	-166.1	55.5	0	0	0	0	119.2
732	K	25.8	Very low	28.6	Very low	208 Å²	208	137.7 Å²	137.7	90%	0.904	71%	0.71	S	S	*	*			trans	21.7	110.7	138	-63.2	172.8	179.3	169.4	0	118
733	S	27.4	Very low	29.1	Very low	90 Å²	90	133.1 Å²	133.1	63%	0.629	69%	0.69	S	S	*	*			trans	-137.5	147	141.8	67.6	0	0	0	0	111	H735	S733-H735 PolarHBondContact OG-CD2 3.45Å; S733-H735 PolarHBondContact OG-NE2 3.03Å
734	K	26.7	Very low	30	Very low	201 Å²	201	129.6 Å²	129.6	87%	0.874	67%	0.671	S	S	*	*			trans	-94.2	120.2	163.7	-72.8	-177.4	176.3	-176.9	0	107
735	H	28.7	Very low	30.9	Very low	163 Å²	163	128.8 Å²	128.8	76%	0.755	67%	0.667	S	S	*	*			trans	-108.5	104.5	169.1	-78	-76.6	0	0	0	109.9	S733	S733-H735 PolarHBondContact OG-CD2 3.45Å; S733-H735 PolarHBondContact OG-NE2 3.03Å
736	D	26.8	Very low	31.6	Very low	150 Å²	150	129.6 Å²	129.6	80%	0.802	66%	0.664	S	S	*	*			trans	-68.9	135.6	162.7	-69	-35.2	0	0	0	108.9	E738	D736-E738 PolarHBondContact O-N 3.19Å
737	L	26.8	Very low	32.5	Very low	164 Å²	164	126.2 Å²	126.2	86%	0.859	65%	0.648	S	S	*	*			trans	-78.9	102.9	-179.8	-76.5	154.9	0	0	0	110.9	V739	L737-V739 PolarHBondContact O-N 2.86Å
738	E	27.1	Very low	33.1	Very low	104 Å²	104	121.4 Å²	121.4	49%	0.486	64%	0.641	S	S	.	*			trans	-78.9	98.9	171.2	-75	-166.9	128.5	0	0	111.3	D736 F740 R750	D736-E738 PolarHBondContact O-N 3.19Å; E738-F740 HydrophobicContact CB-CD2 4.28Å; E738-F740 HydrophobicContact CB-CE2 3.78Å; E738-F740 HydrophobicContact CB-CZ 3.98Å; E738-F740 PolarHBondContact O-N 2.89Å; E738-F740 VanDerWaalsContact OE2-CZ 3.29Å; E738-F740 WeakPolarHBondContact OE2-CZ 3.22Å; E738-R750 IonicContact OE1-CZ 3.43Å; E738-R750 IonicContact OE1-NH2 3.97Å; E738-R750 PolarHBondContact OE1-NH2 2.89Å; E738-R750 IonicContact OE2-NH2 3.36Å
739	V	29.7	Very low	33.5	Very low	127 Å²	127	118.9 Å²	118.9	77%	0.77	64%	0.635	S	S	*	*			trans	-79	90.5	165.2	-178.9	0	0	0	0	108.6	L737 S741	L737-V739 PolarHBondContact O-N 2.86Å; V739-S741 PolarHBondContact O-N 3.39Å
740	F	29.4	Very low	34.1	Very low	114 Å²	114	121.2 Å²	121.2	50%	0.5	63%	0.633	S	S	.	*			trans	-63.7	128.3	177	-72.2	-76.7	0	0	0	111.9	E738 I745	E738-F740 HydrophobicContact CB-CD2 4.28Å; E738-F740 HydrophobicContact CB-CE2 3.78Å; E738-F740 HydrophobicContact CB-CZ 3.98Å; E738-F740 PolarHBondContact O-N 2.89Å; E738-F740 VanDerWaalsContact OE2-CZ 3.29Å; E738-F740 WeakPolarHBondContact OE2-CZ 3.22Å; F740-I745 HydrophobicContact CB-CD1 4.19Å; F740-I745 HydrophobicContact CB-CG1 4.28Å
741	S	36.5	Very low	34.9	Very low	43 Å²	43	124.6 Å²	124.6	30%	0.301	63%	0.634	S	S	.	*			trans	-78.1	153.2	171.5	62.5	0	0	0	0	112	V739 D743 E744 I745	V739-S741 PolarHBondContact O-N 3.39Å; S741-D743 PolarHBondContact O-N 3.32Å; S741-D743 VanDerWaalsContact O-N 3.16Å; S741-E744 WeakPolarHBondContact CB-OE2 3.5Å; S741-E744 PolarHBondContact N-OE2 2.88Å; S741-E744 PolarHBondContact O-N 3.17Å; S741-E744 VanDerWaalsContact O-N 3.11Å; S741-E744 WeakPolarHBondContact OG-CG 3.44Å; S741-E744 PolarHBondContact OG-N 2.88Å; S741-E744 PolarHBondContact OG-OE2 2.82Å; S741-I745 PolarHBondContact O-N 3.16Å
742	E	42.7	Very low	35.4	Very low	74 Å²	74	124 Å²	124	35%	0.346	64%	0.641	S	S	.	*	H	α-helix	trans	-57.3	-29.5	174.9	-153.6	173.3	-166.9	0	0	110.9	K389 Y509 L746	K389-E742 IonicContact NZ-OE1 2.86Å; K389-E742 PolarHBondContact NZ-OE1 3.12Å; K389-E742 IonicContact NZ-OE2 2.89Å; K389-E742 PolarHBondContact NZ-OE2 3.41Å; Y509-E742 PolarHBondContact OH-OE2 2.93Å; E742-L746 HydrophobicContact CG-CD1 4.19Å; E742-L746 WeakPolarHBondContact O-CB 3.43Å; E742-L746 WeakPolarHBondContact O-CD1 3.19Å; E742-L746 VanDerWaalsContact O-CG 3.22Å; E742-L746 WeakPolarHBondContact O-CG 3.3Å; E742-L746 PolarHBondContact O-N 3.22Å
743	D	41.4	Very low	35.9	Very low	64 Å²	64	123.4 Å²	123.4	34%	0.342	64%	0.638	S	S	.	*	H	α-helix	trans	-70.8	-37.8	176.2	-65.9	-43.8	0	0	0	113.7	S741 L746 T747	S741-D743 PolarHBondContact O-N 3.32Å; S741-D743 VanDerWaalsContact O-N 3.16Å; D743-L746 PolarHBondContact O-N 3.3Å; D743-T747 WeakPolarHBondContact O-CB 3.43Å; D743-T747 WeakPolarHBondContact O-CG2 3.29Å; D743-T747 PolarHBondContact O-N 3.43Å; D743-T747 PolarHBondContact O-OG1 3.18Å
744	E	46.1	Very low	36.1	Very low	67 Å²	67	125.8 Å²	125.8	31%	0.313	65%	0.649	S	S	.	*	H	α-helix	trans	-69.2	-38.5	179.3	-77.7	163.2	126.4	0	0	111.6	S741 L746 G748	S741-E744 WeakPolarHBondContact CB-OE2 3.5Å; S741-E744 PolarHBondContact N-OE2 2.88Å; S741-E744 PolarHBondContact O-N 3.17Å; S741-E744 VanDerWaalsContact O-N 3.11Å; S741-E744 WeakPolarHBondContact OG-CG 3.44Å; S741-E744 PolarHBondContact OG-N 2.88Å; S741-E744 PolarHBondContact OG-OE2 2.82Å; E744-L746 VanDerWaalsContact C-N 3.27Å; E744-L746 PolarHBondContact O-N 2.59Å; E744-G748 PolarHBondContact O-N 2.89Å; E744-G748 VanDerWaalsContact O-N 3.16Å
745	I	49.7	Very low	36.2	Very low	130 Å²	130	125 Å²	125	67%	0.667	65%	0.646	S	S	*	*	H	α-helix	trans	-68.7	-26.9	175.6	-56.5	175.5	0	0	0	111.5	F740 S741	F740-I745 HydrophobicContact CB-CD1 4.19Å; F740-I745 HydrophobicContact CB-CG1 4.28Å; S741-I745 PolarHBondContact O-N 3.16Å
746	L	39.6	Very low	36.3	Very low	106 Å²	106	125.4 Å²	125.4	56%	0.555	65%	0.652	S	S	*	*	H	α-helix	trans	-98.9	-12.4	-177.4	-73	172.9	0	0	0	115.2	F183 E742 D743 E744	F183-L746 HydrophobicContact CZ-CD2 4.18Å; E742-L746 HydrophobicContact CG-CD1 4.19Å; E742-L746 WeakPolarHBondContact O-CB 3.43Å; E742-L746 WeakPolarHBondContact O-CD1 3.19Å; E742-L746 VanDerWaalsContact O-CG 3.22Å; E742-L746 WeakPolarHBondContact O-CG 3.3Å; E742-L746 PolarHBondContact O-N 3.22Å; D743-L746 PolarHBondContact O-N 3.3Å; E744-L746 VanDerWaalsContact C-N 3.27Å; E744-L746 PolarHBondContact O-N 2.59Å
747	T	46.6	Very low	36.3	Very low	79 Å²	79	125.2 Å²	125.2	49%	0.485	65%	0.651	S	S	.	*	H	α-helix	trans	-129.2	-13.5	-173.7	68.4	0	0	0	0	115.7	D743 K749	D743-T747 WeakPolarHBondContact O-CB 3.43Å; D743-T747 WeakPolarHBondContact O-CG2 3.29Å; D743-T747 PolarHBondContact O-N 3.43Å; D743-T747 PolarHBondContact O-OG1 3.18Å; T747-K749 WeakPolarHBondContact O-CG 3.38Å; T747-K749 PolarHBondContact O-N 2.81Å
748	G	37.4	Very low	36.4	Very low	74 Å²	74	125.7 Å²	125.7	76%	0.763	65%	0.654	S	S	*	*			trans	65.5	1.4	-178.5	0	0	0	0	0	115.6	E744	E744-G748 PolarHBondContact O-N 2.89Å; E744-G748 VanDerWaalsContact O-N 3.16Å
749	K	37.3	Very low	36.3	Very low	166 Å²	166	128.5 Å²	128.5	72%	0.722	67%	0.671	S	S	*	*			trans	-106.7	90.8	-169.2	-74.6	176.5	-178.3	-178	0	112.4	T747	T747-K749 WeakPolarHBondContact O-CG 3.38Å; T747-K749 PolarHBondContact O-N 2.81Å
750	R	38.9	Very low	36.2	Very low	184 Å²	184	127.9 Å²	127.9	69%	0.694	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-53.5	135.9	166.6	-84	178.9	159	163.6	-6.2	110.7	E738	E738-R750 IonicContact OE1-CZ 3.43Å; E738-R750 IonicContact OE1-NH2 3.97Å; E738-R750 PolarHBondContact OE1-NH2 2.89Å; E738-R750 IonicContact OE2-NH2 3.36Å
751	K	42.5	Very low	36.2	Very low	195 Å²	195	129.8 Å²	129.8	85%	0.848	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-103	144.8	167.3	-76.8	-178.5	176.4	174.6	0	110.5
752	A	36.7	Very low	35.7	Very low	102 Å²	102	133.2 Å²	133.2	84%	0.843	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-68.7	138.9	-176	0	0	0	0	0	112.5
753	K	36	Very low	35.1	Very low	194 Å²	194	141.2 Å²	141.2	84%	0.843	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-82	133.7	178.3	-70.5	178.4	175.9	176.3	0	111.4
754	T	31.6	Very low	34.4	Very low	141 Å²	141	146.6 Å²	146.6	87%	0.865	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-85.5	136.5	162.8	-46.3	0	0	0	0	109.4
755	K	29.3	Very low	33.5	Very low	185 Å²	185	149.8 Å²	149.8	80%	0.804	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-82	134.7	178.2	-111.9	-177.1	177.5	-177.8	0	111.1
756	L	29.4	Very low	32.4	Very low	170 Å²	170	148.9 Å²	148.9	89%	0.89	79%	0.787	S	S	*	*			trans	-127.2	140.6	155.8	-78.4	170.6	0	0	0	107.9
757	N	27.3	Very low	31.9	Very low	147 Å²	147	153 Å²	153	79%	0.786	80%	0.803	S	S	*	*			trans	-90.3	138.2	-179.3	-63.6	-24.3	0	0	0	109.5
758	L	28.9	Very low	31	Very low	174 Å²	174	156.6 Å²	156.6	91%	0.911	82%	0.818	S	S	*	*			trans	-114	145.1	165.5	-121.2	77	0	0	0	110.3
759	I	26.4	Very low	30.7	Very low	163 Å²	163	158.7 Å²	158.7	84%	0.836	82%	0.821	S	S	*	*			trans	-83.2	135.6	-179.8	-62.5	168.2	0	0	0	109.1
760	S	26.6	Very low	30.7	Very low	114 Å²	114	157.7 Å²	157.7	80%	0.797	81%	0.813	S	S	*	*			trans	-82.6	129.7	179.4	56.6	0	0	0	0	112.6
761	I	29.2	Very low	30.3	Very low	153 Å²	153	155.1 Å²	155.1	79%	0.785	82%	0.817	S	S	*	*			trans	-130.6	124.1	162.1	-59.2	179	0	0	0	107.8
762	S	25.9	Very low	29.9	Very low	116 Å²	116	151.2 Å²	151.2	81%	0.811	80%	0.802	S	S	*	*			trans	-91.5	127.5	-175.1	46.8	0	0	0	0	112.6
763	R	29.7	Very low	29.7	Very low	241 Å²	241	153.1 Å²	153.1	91%	0.909	80%	0.797	S	S	*	*			trans	-142.5	167.3	164	-70.4	-160.4	174.1	-166.9	-3.4	111.7
764	E	26.9	Very low	29.7	Very low	177 Å²	177	147.3 Å²	147.3	83%	0.827	77%	0.774	S	S	*	*			trans	-78.8	160.6	-154.4	-66.6	172.5	138.1	0	0	116	V766	E764-V766 PolarHBondContact O-N 3.05Å
765	P	28	Very low	30	Very low	134 Å²	134	143.9 Å²	143.9	87%	0.87	75%	0.753	S	S	*	*			trans	-77.4	112.8	-177.2	30.7	-35.1	0	0	0	113.1
766	V	27.4	Very low	30.4	Very low	112 Å²	112	139.8 Å²	139.8	68%	0.679	74%	0.74	S	S	*	*			trans	-94.8	143.9	165.5	-179.2	0	0	0	0	109.3	E764 I768	E764-V766 PolarHBondContact O-N 3.05Å; V766-I768 PolarHBondContact O-N 3.11Å
767	Q	27.2	Very low	30.9	Very low	193 Å²	193	134.7 Å²	134.7	90%	0.902	72%	0.719	S	S	*	*			trans	-60.6	119.3	-175.1	-72.2	-174.5	-18.4	0	0	112.8	S769	Q767-S769 PolarHBondContact O-N 3.41Å
768	I	27.9	Very low	31.6	Very low	154 Å²	154	130.6 Å²	130.6	79%	0.79	70%	0.697	S	S	*	*			trans	-88.5	103.8	179	-58.5	173.7	0	0	0	109.8	V766 R770	V766-I768 PolarHBondContact O-N 3.11Å; I768-R770 PolarHBondContact O-N 2.94Å
769	S	32.3	Very low	32.3	Very low	118 Å²	118	123.5 Å²	123.5	83%	0.825	66%	0.66	S	S	*	*			trans	-76.8	69.9	174.1	60.2	0	0	0	0	112.7	Q767	Q767-S769 PolarHBondContact O-N 3.41Å
770	R	36.9	Very low	33.1	Very low	145 Å²	145	120.3 Å²	120.3	55%	0.547	64%	0.644	S	S	.	*			trans	53.7	82.1	156.5	-62.3	-173.8	150.7	140.8	-3.5	118.7	I768 H772	I768-R770 PolarHBondContact O-N 2.94Å; R770-H772 PolarHBondContact NE-CD2 3.32Å; R770-H772 PolarHBondContact NE-NE2 3.41Å; R770-H772 VanDerWaalsContact NE-NE2 3.16Å
771	V	30.1	Very low	34.1	Very low	130 Å²	130	121 Å²	121	79%	0.788	63%	0.632	S	S	*	*			trans	-90	85.3	141	-178.7	0	0	0	0	108.2	L773	V771-L773 PolarHBondContact O-N 3.31Å
772	H	34.5	Very low	34.8	Very low	113 Å²	113	118.3 Å²	118.3	52%	0.523	62%	0.623	S	S	.	*			trans	-90.4	89	176.1	-78.9	-45.9	0	0	0	111.4	R770 I774	R770-H772 PolarHBondContact NE-CD2 3.32Å; R770-H772 PolarHBondContact NE-NE2 3.41Å; R770-H772 VanDerWaalsContact NE-NE2 3.16Å; H772-I774 HydrophobicContact CB-CG1 4.14Å; H772-I774 PolarHBondContact O-N 3.42Å
773	L	31.9	Very low	35.5	Very low	141 Å²	141	117.5 Å²	117.5	74%	0.738	61%	0.605	S	S	*	*			trans	-73.1	81.5	157.3	-73.7	171.9	0	0	0	109	V771 T775	V771-L773 PolarHBondContact O-N 3.31Å; L773-T775 PolarHBondContact O-N 2.67Å
774	I	37.3	Very low	35.9	Very low	73 Å²	73	111 Å²	111	37%	0.374	59%	0.588	S	S	.	*			trans	-63.9	118.9	173.4	-54.3	178.9	0	0	0	108	W375 H772 D778 I779	W375-I774 HydrophobicContact CZ2-CB 4.23Å; W375-I774 HydrophobicContact CZ2-CD1 4.41Å; H772-I774 HydrophobicContact CB-CG1 4.14Å; H772-I774 PolarHBondContact O-N 3.42Å; I774-D778 HydrophobicContact CG2-CB 3.79Å; I774-I779 HydrophobicContact CG2-CG1 3.88Å
775	T	36.9	Very low	36.4	Very low	69 Å²	69	110.5 Å²	110.5	42%	0.423	59%	0.586	S	S	.	*			trans	-71.8	156.8	176.6	81.2	0	0	0	0	110	L773 S777 D778 I779	L773-T775 PolarHBondContact O-N 2.67Å; T775-S777 PolarHBondContact O-N 3.04Å; T775-S777 VanDerWaalsContact O-N 3.16Å; T775-S777 PolarHBondContact OG1-N 3.31Å; T775-S777 PolarHBondContact OG1-OG 3.49Å; T775-D778 WeakPolarHBondContact CB-OD2 3.29Å; T775-D778 PolarHBondContact N-OD2 3.01Å; T775-D778 PolarHBondContact O-N 3.04Å; T775-D778 PolarHBondContact OG1-N 3.26Å; T775-D778 PolarHBondContact OG1-OD2 2.89Å; T775-I779 PolarHBondContact O-N 3.02Å
776	N	38.3	Very low	36.6	Very low	99 Å²	99	109.4 Å²	109.4	53%	0.529	58%	0.577	S	S	.	*	H	α-helix	trans	-55.5	-35.8	175.5	-69.7	-27.9	0	0	0	111.8	D778 I779 D780	N776-D778 PolarHBondContact O-N 3.49Å; N776-D778 VanDerWaalsContact O-N 3.16Å; N776-I779 WeakPolarHBondContact O-CB 3Å; N776-I779 PolarHBondContact O-N 3.37Å; N776-I779 VanDerWaalsContact O-N 3.11Å; N776-D780 PolarHBondContact O-N 3.24Å
777	S	38.3	Very low	36.8	Very low	63 Å²	63	109.9 Å²	109.9	44%	0.441	58%	0.58	S	S	.	*	H	α-helix	trans	-62.7	-21.7	177.3	83.9	0	0	0	0	114	T775 K781	T775-S777 PolarHBondContact O-N 3.04Å; T775-S777 VanDerWaalsContact O-N 3.16Å; T775-S777 PolarHBondContact OG1-N 3.31Å; T775-S777 PolarHBondContact OG1-OG 3.49Å; S777-K781 WeakPolarHBondContact O-CD 3.49Å; S777-K781 WeakPolarHBondContact O-CE 3.47Å; S777-K781 VanDerWaalsContact O-CG 3.32Å; S777-K781 WeakPolarHBondContact O-CG 3.24Å; S777-K781 PolarHBondContact O-NZ 3.15Å
778	D	43.8	Very low	36.9	Very low	61 Å²	61	105.9 Å²	105.9	33%	0.326	57%	0.569	S	S	.	*	H	α-helix	trans	-92.6	-20.9	178.8	-54.7	-52.4	0	0	0	112.3	I774 T775 N776 K781 V782	I774-D778 HydrophobicContact CG2-CB 3.79Å; T775-D778 WeakPolarHBondContact CB-OD2 3.29Å; T775-D778 PolarHBondContact N-OD2 3.01Å; T775-D778 PolarHBondContact O-N 3.04Å; T775-D778 PolarHBondContact OG1-N 3.26Å; T775-D778 PolarHBondContact OG1-OD2 2.89Å; N776-D778 PolarHBondContact O-N 3.49Å; N776-D778 VanDerWaalsContact O-N 3.16Å; D778-K781 IonicContact OD1-NZ 2.63Å; D778-K781 PolarHBondContact OD1-NZ 3.28Å; D778-V782 WeakPolarHBondContact O-CG2 3.37Å
779	I	43.1	Very low	37	Very low	25 Å²	25	106.3 Å²	106.3	13%	0.128	57%	0.573	C	S	.	*	H	α-helix	trans	-69.1	-47.5	171.1	-54.1	171.2	0	0	0	109.3	W375 I774 T775 N776 K781 V782 F783	W375-I779 HydrophobicContact CH2-CD1 3.64Å; W375-I779 HydrophobicContact CH2-CG1 3.86Å; W375-I779 HydrophobicContact CZ2-CD1 3.72Å; W375-I779 HydrophobicContact CZ2-CG1 4.05Å; I774-I779 HydrophobicContact CG2-CG1 3.88Å; T775-I779 PolarHBondContact O-N 3.02Å; N776-I779 WeakPolarHBondContact O-CB 3Å; N776-I779 PolarHBondContact O-N 3.37Å; N776-I779 VanDerWaalsContact O-N 3.11Å; I779-K781 VanDerWaalsContact C-N 3.27Å; I779-K781 PolarHBondContact O-N 3.06Å; I779-V782 PolarHBondContact O-N 2.97Å; I779-F783 HydrophobicContact CG2-CD2 3.99Å; I779-F783 HydrophobicContact CG2-CE2 4.41Å; I779-F783 PolarHBondContact O-N 3.26Å
780	D	44	Very low	36.9	Very low	95 Å²	95	108.5 Å²	108.5	51%	0.508	58%	0.575	S	S	.	*	H	α-helix	trans	-64.8	-30.6	-175.4	-64	-30	0	0	0	112.5	N776 V782 N784	N776-D780 PolarHBondContact O-N 3.24Å; D780-V782 VanDerWaalsContact C-N 3.29Å; D780-V782 PolarHBondContact O-N 2.85Å; D780-N784 WeakPolarHBondContact O-CB 3.47Å; D780-N784 PolarHBondContact O-N 2.96Å; D780-N784 PolarHBondContact O-ND2 2.95Å
781	K	46.2	Very low	36.5	Very low	128 Å²	128	109.2 Å²	109.2	56%	0.557	59%	0.59	S	S	*	*	H	α-helix	trans	-66	-28.5	174	-67.2	165.7	-161.1	153.8	0	113.1	S777 D778 I779	S777-K781 WeakPolarHBondContact O-CD 3.49Å; S777-K781 WeakPolarHBondContact O-CE 3.47Å; S777-K781 VanDerWaalsContact O-CG 3.32Å; S777-K781 WeakPolarHBondContact O-CG 3.24Å; S777-K781 PolarHBondContact O-NZ 3.15Å; D778-K781 IonicContact OD1-NZ 2.63Å; D778-K781 PolarHBondContact OD1-NZ 3.28Å; I779-K781 VanDerWaalsContact C-N 3.27Å; I779-K781 PolarHBondContact O-N 3.06Å
782	V	43.7	Very low	36.4	Very low	97 Å²	97	110.5 Å²	110.5	59%	0.588	59%	0.593	S	S	*	*	H	α-helix	trans	-88.9	-36.8	-175.8	175.7	0	0	0	0	112	D778 I779 D780	D778-V782 WeakPolarHBondContact O-CG2 3.37Å; I779-V782 PolarHBondContact O-N 2.97Å; D780-V782 VanDerWaalsContact C-N 3.29Å; D780-V782 PolarHBondContact O-N 2.85Å
783	F	40.6	Very low	36.2	Very low	99 Å²	99	115.6 Å²	115.6	43%	0.434	61%	0.614	S	S	.	*	H	α-helix	trans	-90.9	-26.1	-173.4	-77.1	-80.4	0	0	0	115	I779 H785 T786	I779-F783 HydrophobicContact CG2-CD2 3.99Å; I779-F783 HydrophobicContact CG2-CE2 4.41Å; I779-F783 PolarHBondContact O-N 3.26Å; F783-H785 PolarHBondContact O-N 2.89Å; F783-T786 PolarHBondContact O-OG1 3.33Å
784	N	39	Very low	36.2	Very low	104 Å²	104	118.4 Å²	118.4	56%	0.556	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-3.6	-179.3	-73.1	-56	0	0	0	114.8	D780	D780-N784 WeakPolarHBondContact O-CB 3.47Å; D780-N784 PolarHBondContact O-N 2.96Å; D780-N784 PolarHBondContact O-ND2 2.95Å
785	H	36.8	Very low	35.9	Very low	167 Å²	167	124 Å²	124	77%	0.773	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	7.7	176.9	-89.5	-62.8	0	0	0	114.9	F783	F783-H785 PolarHBondContact O-N 2.89Å
786	T	33.4	Very low	35.7	Very low	112 Å²	112	126.5 Å²	126.5	69%	0.687	66%	0.662	S	S	*	*	S	Bend	trans	-118.7	1.6	-171.6	11.4	0	0	0	0	116.4	F783	F783-T786 PolarHBondContact O-OG1 3.33Å
787	T	30.6	Very low	35.3	Very low	121 Å²	121	128.2 Å²	128.2	74%	0.742	67%	0.671	S	S	*	*	S	Bend	trans	-130.5	20.5	-175.1	36.2	0	0	0	0	114.9
788	T	29.7	Very low	35.3	Very low	110 Å²	110	134.3 Å²	134.3	68%	0.675	69%	0.692	S	S	*	*	S	Bend	trans	-143.4	57.7	178.8	39.2	0	0	0	0	112.9
789	N	29.4	Very low	34.7	Very low	162 Å²	162	138.2 Å²	138.2	87%	0.866	71%	0.713	S	S	*	*			trans	-172.8	87.8	159.4	-99.6	-29.8	0	0	0	111.8
790	N	29.5	Very low	34.3	Very low	164 Å²	164	143.9 Å²	143.9	88%	0.877	74%	0.743	S	S	*	*			trans	-173.5	62.1	159.8	-105.6	-17.9	0	0	0	111.8
791	N	29.5	Very low	33.7	Very low	161 Å²	161	147.7 Å²	147.7	86%	0.861	76%	0.756	S	S	*	*			trans	-163.6	75.8	168.7	-103.6	-27.9	0	0	0	110.1
792	N	29.1	Very low	33.1	Very low	157 Å²	157	148.1 Å²	148.1	84%	0.84	76%	0.764	S	S	*	*			trans	-174.9	79.7	161.9	-101.5	-19	0	0	0	111.5
793	F	28.8	Very low	32.6	Very low	220 Å²	220	150.8 Å²	150.8	97%	0.965	77%	0.773	S	S	*	*			trans	-160	95	157.9	-102.8	-66.3	0	0	0	110.6
794	K	33	Very low	32.5	Very low	199 Å²	199	153.4 Å²	153.4	87%	0.865	79%	0.79	S	S	*	*			trans	-146.8	115.6	165.1	-105.8	-179.9	-177.5	173.1	0	110.6
795	K	30.3	Very low	32.4	Very low	191 Å²	191	153.9 Å²	153.9	83%	0.83	80%	0.799	S	S	*	*			trans	52.7	106.9	156.9	-59.3	-175.1	175.4	-172.9	0	118.1
796	S	32.7	Very low	32.3	Very low	122 Å²	122	151.5 Å²	151.5	85%	0.853	80%	0.799	S	S	*	*				-110.9	137	128.2	54.1	0	0	0	0	108.3
797	N	30	Very low	32.6	Very low	134 Å²	134	153 Å²	153	72%	0.717	81%	0.807	S	S	*	*			trans	-97.8	137.5	168	-81.3	-5.4	0	0	0	107.7
798	H	37.9	Very low	32.8	Very low	192 Å²	192	153.6 Å²	153.6	89%	0.889	81%	0.811	S	S	*	*			trans	-154.1	147.3	143.6	-110.6	-73.9	0	0	0	111.2
799	N	30.9	Very low	33.2	Very low	142 Å²	142	153.8 Å²	153.8	76%	0.759	81%	0.814	S	S	*	*			trans	-79.8	139.2	-172.7	-57.4	-45.5	0	0	0	112.2
800	N	34.5	Very low	33.5	Very low	144 Å²	144	156.2 Å²	156.2	77%	0.77	82%	0.817	S	S	*	*				-167.1	111.7	122.9	-102	-32.3	0	0	0	114.7
801	K	32.4	Very low	33.9	Very low	175 Å²	175	156 Å²	156	76%	0.761	81%	0.811	S	S	*	*				42.3	121	129.2	-70.1	-178.4	178.3	179.1	0	121.9
802	N	32.5	Very low	34.2	Very low	137 Å²	137	156.4 Å²	156.4	73%	0.733	81%	0.812	S	S	*	*			trans	106.7	138.9	131.1	-65.7	-1.4	0	0	0	121.4
803	I	34.5	Very low	34.2	Very low	154 Å²	154	154.2 Å²	154.2	79%	0.79	80%	0.8	S	S	*	*			trans	69.7	103	159.9	-58.2	146.8	0	0	0	114.8
804	I	38.1	Very low	34.7	Very low	154 Å²	154	152.4 Å²	152.4	79%	0.79	80%	0.797	S	S	*	*			cis	71.9	131.8	30.7	-95.2	173.6	0	0	0	114.2
805	P	36.3	Very low	34.6	Very low	114 Å²	114	152.2 Å²	152.2	74%	0.74	80%	0.796	S	S	*	*			cis	-138.9	-137.7	-15.4	49.7	-29.6	0	0	0	112.5
806	P	36.1	Very low	34.8	Very low	117 Å²	117	148.5 Å²	148.5	76%	0.76	79%	0.794	S	S	*	*			trans	-127.3	-171.6	-146.4	34.5	-8.1	0	0	0	116.4
807	T	38.1	Very low	34.8	Very low	142 Å²	142	151.9 Å²	151.9	87%	0.871	79%	0.794	S	S	*	*			trans	-152	138.1	162.4	7.1	0	0	0	0	114.7
808	T	36	Very low	35.1	Very low	134 Å²	134	151.3 Å²	151.3	82%	0.822	79%	0.791	S	S	*	*			trans	-145.1	176.1	159.7	34.8	0	0	0	0	105.4
809	P	37.2	Very low	34.9	Very low	114 Å²	114	150.1 Å²	150.1	74%	0.74	79%	0.786	S	S	*	*			cis	-136.4	-164.3	11.4	44.5	-26.7	0	0	0	114.1
810	K	37.2	Very low	34.8	Very low	213 Å²	213	148.2 Å²	148.2	93%	0.926	78%	0.783	S	S	*	*			trans	-155.8	160.3	136	-114.2	162.8	-172.3	175.1	0	112.6
811	H	35.9	Very low	34.7	Very low	160 Å²	160	147.5 Å²	147.5	74%	0.741	78%	0.784	S	S	*	*			trans	-123.9	147.8	-161.7	-149.3	-58.3	0	0	0	109.8
812	L	35.9	Very low	34.7	Very low	170 Å²	170	146.4 Å²	146.4	89%	0.89	79%	0.785	S	S	*	*			trans	-150.1	141.9	159.5	-109.1	167.4	0	0	0	109.5
813	N	30.9	Very low	34.8	Very low	111 Å²	111	148 Å²	148	59%	0.594	79%	0.792	S	S	*	*			trans	-161.3	140	-170.8	-169.1	-1.2	0	0	0	109.5
814	M	37.8	Very low	34.7	Very low	182 Å²	182	144.2 Å²	144.2	90%	0.897	79%	0.791	S	S	*	*			trans	-138.7	145.6	172.5	-72.2	-163.5	76.2	0	0	111
815	K	30.9	Very low	34.5	Very low	194 Å²	194	140 Å²	140	84%	0.843	79%	0.786	S	S	*	*			trans	-133.9	133.3	-176.4	-73.2	-175.9	175.3	-179.3	0	112
816	S	34.4	Very low	34.4	Very low	114 Å²	114	141.8 Å²	141.8	80%	0.797	80%	0.795	S	S	*	*			trans	-161.5	108	150.6	50.5	0	0	0	0	108.6
817	K	34.2	Very low	34.2	Very low	192 Å²	192	142.1 Å²	142.1	84%	0.835	80%	0.8	S	S	*	*				77.9	99.4	77.3	-93.8	-164.3	172.7	-174.1	0	114.5
818	N	34.8	Very low	33.9	Very low	123 Å²	123	138.8 Å²	138.8	66%	0.658	79%	0.786	S	S	*	*				155.8	149.7	108.8	-84.9	-0.6	0	0	0	114.4
819	Q	34.3	Very low	33.8	Very low	167 Å²	167	139.3 Å²	139.3	78%	0.78	78%	0.784	S	S	*	*			trans	46.1	115.2	148.5	-66.7	154	-38.8	0	0	119.4
820	S	28.5	Very low	33.6	Very low	102 Å²	102	141.3 Å²	141.3	71%	0.713	78%	0.784	S	S	*	*			cis	86.6	114.6	43.5	75.7	0	0	0	0	116.2
821	T	31.9	Very low	33.3	Very low	129 Å²	129	137.2 Å²	137.2	79%	0.791	77%	0.77	S	S	*	*			trans	-174	108.3	137.3	-74.1	0	0	0	0	113.4
822	I	33	Very low	33	Very low	151 Å²	151	139 Å²	139	77%	0.774	77%	0.772	S	S	*	*			trans	29.1	149.6	135.5	-23.7	178.1	0	0	0	123.7
823	I	34.9	Very low	32.6	Very low	171 Å²	171	137.1 Å²	137.1	88%	0.877	76%	0.763	S	S	*	*			trans	86.4	131.5	160	-44.5	178	0	0	0	116.4
824	G	32.2	Very low	32.6	Very low	74 Å²	74	138 Å²	138	76%	0.763	77%	0.767	S	S	*	*			cis	168.9	161.1	-8.1	0	0	0	0	0	114.5
825	G	33.1	Very low	32.2	Very low	67 Å²	67	135.8 Å²	135.8	69%	0.691	76%	0.758	S	S	*	*			trans	100.7	114.6	174.2	0	0	0	0	0	115.2
826	T	34.3	Very low	32.1	Very low	151 Å²	151	132.8 Å²	132.8	93%	0.926	75%	0.751	S	S	*	*				66.2	131.2	67.5	64.8	0	0	0	0	114.2
827	S	33.5	Very low	31.8	Very low	123 Å²	123	133 Å²	133	86%	0.86	74%	0.743	S	S	*	*			cis	-134	173.8	23.2	-163	0	0	0	0	114.2
828	A	31.5	Very low	31.7	Very low	72 Å²	72	132.1 Å²	132.1	60%	0.595	75%	0.746	S	S	*	*			trans	-116.7	166.3	172.5	0	0	0	0	0	112.2
829	D	33.6	Very low	31.4	Very low	145 Å²	145	133.1 Å²	133.1	78%	0.775	75%	0.747	S	S	*	*			trans	-179.7	134.3	133.1	-85.5	-23.9	0	0	0	107.9
830	H	32.3	Very low	31.2	Very low	157 Å²	157	130.1 Å²	130.1	73%	0.727	74%	0.736	S	S	*	*				70.9	133.6	59.4	-71.8	-58.4	0	0	0	112
831	I	31.3	Very low	31.3	Very low	126 Å²	126	134.1 Å²	134.1	65%	0.646	74%	0.74	S	S	*	*			cis	-164.2	165.1	13.3	-144.9	164.7	0	0	0	115.1
832	Y	30.6	Very low	31.4	Very low	197 Å²	197	133.3 Å²	133.3	77%	0.773	74%	0.74	S	S	*	*			trans	62.2	133.8	158.7	-79.1	-63.2	0	0	0	125.6
833	D	27.1	Very low	31.4	Very low	132 Å²	132	134.6 Å²	134.6	71%	0.706	74%	0.74	S	S	*	*			trans	-81.2	160.8	156.8	-39.4	-98	0	0	0	113
834	N	31.1	Very low	31.3	Very low	128 Å²	128	134.3 Å²	134.3	68%	0.684	74%	0.739	S	S	*	*				163.3	136	110.9	-89.7	-55.3	0	0	0	117.1
835	I	29	Very low	31.3	Very low	136 Å²	136	137.4 Å²	137.4	70%	0.697	74%	0.737	S	S	*	*			trans	68	116.6	130.2	-65.3	170	0	0	0	121.9
836	D	28.8	Very low	31.2	Very low	131 Å²	131	137.8 Å²	137.8	70%	0.701	74%	0.741	S	S	*	*			trans	64.4	131.1	138.4	-73.6	17.2	0	0	0	126.8
837	N	27.4	Very low	30.9	Very low	118 Å²	118	141.1 Å²	141.1	63%	0.631	74%	0.737	S	S	*	*			trans	56.2	121.9	133.7	-70.8	-57.6	0	0	0	121.4
838	I	32.9	Very low	30.8	Very low	174 Å²	174	141 Å²	141	89%	0.892	73%	0.733	S	S	*	*				-154.2	155.4	114.6	-105.7	155.9	0	0	0	110.8
839	Q	28.8	Very low	30.8	Very low	145 Å²	145	148.3 Å²	148.3	68%	0.678	75%	0.746	S	S	*	*			trans	-109.3	173.6	-167.7	-63.9	178.3	-5.5	0	0	114.1
840	N	30.2	Very low	30.5	Very low	103 Å²	103	146.1 Å²	146.1	55%	0.551	75%	0.749	S	S	*	*			trans	100.9	112.5	153.4	-59	-67.1	0	0	0	116.8
841	K	30.1	Very low	30.6	Very low	186 Å²	186	143.6 Å²	143.6	81%	0.809	75%	0.749	S	S	*	*				80.8	140.6	96.6	-69.6	167.4	-173.7	143.9	0	112
842	S	34.8	Very low	30.5	Very low	113 Å²	113	142.1 Å²	142.1	79%	0.79	75%	0.75	S	S	*	*			cis	-150.1	155.2	17.6	29.1	0	0	0	0	110.2
843	K	32	Very low	30.6	Very low	177 Å²	177	139.5 Å²	139.5	77%	0.77	75%	0.749	S	S	*	*			cis	101.6	98.4	25.8	-171.8	-161.2	-176.5	-173.3	0	114
844	L	33	Very low	30.7	Very low	165 Å²	165	142.5 Å²	142.5	86%	0.864	76%	0.756	S	S	*	*			trans	-172.5	149.8	157.9	-97.2	140.7	0	0	0	109
845	I	31.8	Very low	30.5	Very low	140 Å²	140	143.6 Å²	143.6	72%	0.718	76%	0.761	S	S	*	*				-154	144.4	-60.7	-108.8	158	0	0	0	108.4
846	G	30.7	Very low	30.5	Very low	74 Å²	74	146 Å²	146	76%	0.763	77%	0.769	S	S	*	*			trans	-154.2	17.2	-168	0	0	0	0	0	120
847	R	29.1	Very low	30.4	Very low	222 Å²	222	145.6 Å²	145.6	84%	0.838	77%	0.771	S	S	*	*			trans	54	109.4	171.7	-66.5	-170.4	176.3	-154.9	-0.9	119.5
848	P	30.4	Very low	30.5	Very low	121 Å²	121	147.4 Å²	147.4	79%	0.786	78%	0.779	S	S	*	*			trans	-94.6	173.6	159.2	38.9	-33.7	0	0	0	112.3
849	Y	31	Very low	30.2	Very low	224 Å²	224	147.2 Å²	147.2	88%	0.878	77%	0.774	S	S	*	*			trans	-141.6	142.7	156.4	-97.5	-76.2	0	0	0	111
850	A	28.3	Very low	30.2	Very low	100 Å²	100	145.2 Å²	145.2	83%	0.826	78%	0.776	S	S	*	*			trans	-152.3	148	176.8	0	0	0	0	0	111.5
851	S	33.6	Very low	30	Very low	103 Å²	103	147.1 Å²	147.1	72%	0.72	79%	0.787	S	S	*	*			trans	-153.9	118.1	166.2	40.5	0	0	0	0	106.7
852	S	29.2	Very low	30	Very low	96 Å²	96	145.8 Å²	145.8	67%	0.671	79%	0.788	S	S	*	*				51.3	117.9	82.1	74.2	0	0	0	0	111.8
853	N	33.4	Very low	29.5	Very low	141 Å²	141	147.4 Å²	147.4	75%	0.754	79%	0.788	S	S	*	*			cis	-144.3	137.7	45.8	-79.3	-58.4	0	0	0	111.5
854	K	29.9	Very low	29.3	Very low	195 Å²	195	146.5 Å²	146.5	85%	0.848	79%	0.79	S	S	*	*				89.3	127.5	72.7	-145.4	-178.3	-166.6	-174.1	0	111.4
855	L	26.7	Very low	28.9	Very low	152 Å²	152	143.2 Å²	143.2	80%	0.796	78%	0.776	S	S	*	*			trans	-70.9	153.6	-174.7	-62.3	89	0	0	0	112.4
856	H	29.4	Very low	28.6	Very low	187 Å²	187	141.7 Å²	141.7	87%	0.866	77%	0.773	S	S	*	*			trans	-142.7	135.9	141.6	-107.6	-83.8	0	0	0	110.4
857	T	26.1	Very low	28.4	Very low	121 Å²	121	143.5 Å²	143.5	74%	0.742	77%	0.77	S	S	*	*			trans	-87.3	127.2	173.5	-41.1	0	0	0	0	109.1
858	I	29.4	Very low	28.3	Very low	157 Å²	157	142.6 Å²	142.6	81%	0.805	77%	0.768	S	S	*	*			trans	-136.2	130.2	164.7	-61.2	-177.5	0	0	0	107
859	E	26.3	Very low	28.1	Very low	169 Å²	169	143.7 Å²	143.7	79%	0.79	76%	0.762	S	S	*	*			trans	-95.8	168.8	175.4	-72.7	-168.5	129.8	0	0	111.9
860	S	27.8	Very low	28	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	76%	0.757	S	S	*	*			trans	77.9	134.4	161.6	78.4	0	0	0	0	118.4
861	N	26.6	Very low	28.1	Very low	143 Å²	143	141 Å²	141	77%	0.765	75%	0.747	S	S	*	*			trans	51.9	100.2	145.8	-53.8	-15.2	0	0	0	118.9
862	D	29.4	Very low	27.8	Very low	158 Å²	158	145.2 Å²	145.2	85%	0.845	75%	0.752	S	S	*	*				-149.7	135.5	127.3	-120.5	-29.2	0	0	0	112.2	I864	D862-I864 PolarHBondContact O-N 2.88Å
863	L	26.2	Very low	27.8	Very low	148 Å²	148	149.9 Å²	149.9	78%	0.775	76%	0.761	S	S	*	*			trans	-87.7	91.3	178.3	-85.5	77.9	0	0	0	109.9	T865	L863-T865 PolarHBondContact O-N 3.21Å; L863-T865 PolarHBondContact O-OG1 2.93Å
864	I	27	Very low	27.8	Very low	158 Å²	158	149 Å²	149	81%	0.81	76%	0.761	S	S	*	*			trans	-70.8	83.1	166.4	-57.3	-175.9	0	0	0	109	D862 V866	D862-I864 PolarHBondContact O-N 2.88Å; I864-V866 PolarHBondContact O-N 3.33Å
865	T	24.8	Very low	27.7	Very low	95 Å²	95	147.7 Å²	147.7	58%	0.583	76%	0.763	S	S	*	*			trans	-75.1	103.9	178.1	-56	0	0	0	0	108.7	L863 T867	L863-T865 PolarHBondContact O-N 3.21Å; L863-T865 PolarHBondContact O-OG1 2.93Å; T865-T867 VanDerWaalsContact C-N 3.28Å; T865-T867 HydrophobicContact CG2-CG2 3.83Å; T865-T867 PolarHBondContact O-N 3.25Å
866	V	26.2	Very low	27.9	Very low	109 Å²	109	150.5 Å²	150.5	66%	0.661	77%	0.769	S	S	*	*			trans	-73.5	87.3	170.5	-178.2	0	0	0	0	108.5	I864 Y868	I864-V866 PolarHBondContact O-N 3.33Å; V866-Y868 HydrophobicContact CG1-CE2 4.31Å; V866-Y868 PolarHBondContact O-N 3.42Å; V866-Y868 VanDerWaalsContact O-N 3.12Å
867	T	26	Very low	27.8	Very low	112 Å²	112	147 Å²	147	69%	0.687	77%	0.765	S	S	*	*			trans	-70.1	102.5	178.3	46.7	0	0	0	0	110.9	T865 E869	T865-T867 VanDerWaalsContact C-N 3.28Å; T865-T867 HydrophobicContact CG2-CG2 3.83Å; T865-T867 PolarHBondContact O-N 3.25Å; T867-E869 PolarHBondContact O-N 3.27Å
868	Y	27.2	Very low	28	Very low	203 Å²	203	150.4 Å²	150.4	80%	0.796	77%	0.773	S	S	*	*			trans	-68.1	112.2	160.3	-70.5	-89.8	0	0	0	108.8	V866 T870	V866-Y868 HydrophobicContact CG1-CE2 4.31Å; V866-Y868 PolarHBondContact O-N 3.42Å; V866-Y868 VanDerWaalsContact O-N 3.12Å; Y868-T870 VanDerWaalsContact C-N 3.34Å; Y868-T870 PolarHBondContact O-N 3.39Å
869	E	26.4	Very low	27.9	Very low	144 Å²	144	150.5 Å²	150.5	67%	0.673	78%	0.775	S	S	*	*			trans	-66.2	88.7	174.3	-81.6	-156.9	131.1	0	0	111.3	T867 K871	T867-E869 PolarHBondContact O-N 3.27Å; E869-K871 PolarHBondContact O-N 3.31Å; E869-K871 IonicContact OE1-NZ 3.08Å; E869-K871 WeakPolarHBondContact OE2-CE 3.38Å; E869-K871 IonicContact OE2-NZ 3.17Å; E869-K871 PolarHBondContact OE2-NZ 3.37Å
870	T	27.4	Very low	28	Very low	123 Å²	123	149.8 Å²	149.8	76%	0.755	78%	0.775	S	S	*	*			trans	-73	78.4	166.6	56.2	0	0	0	0	110	Y868 K872	Y868-T870 VanDerWaalsContact C-N 3.34Å; Y868-T870 PolarHBondContact O-N 3.39Å; T870-K872 PolarHBondContact O-N 2.92Å
871	K	30.7	Very low	28	Very low	143 Å²	143	153.5 Å²	153.5	62%	0.622	78%	0.78	S	S	*	*			trans	-64.2	99.5	174.4	-83.9	175.1	174.5	147.6	0	110.3	E869 F873	E869-K871 PolarHBondContact O-N 3.31Å; E869-K871 IonicContact OE1-NZ 3.08Å; E869-K871 WeakPolarHBondContact OE2-CE 3.38Å; E869-K871 IonicContact OE2-NZ 3.17Å; E869-K871 PolarHBondContact OE2-NZ 3.37Å; K871-F873 PolarHBondContact O-N 3.44Å
872	K	28.6	Very low	28	Very low	192 Å²	192	157 Å²	157	84%	0.835	78%	0.784	S	S	*	*			trans	-61.8	97	172.2	-71.5	178.9	176.9	175.8	0	110	T870 T874	T870-K872 PolarHBondContact O-N 2.92Å; K872-T874 PolarHBondContact O-N 3.38Å
873	F	29	Very low	28	Very low	195 Å²	195	154.7 Å²	154.7	86%	0.855	78%	0.781	S	S	*	*			trans	-80.2	103	161.5	-97.5	-85.4	0	0	0	109.6	K871	K871-F873 PolarHBondContact O-N 3.44Å
874	T	32.9	Very low	28.3	Very low	123 Å²	123	153.7 Å²	153.7	76%	0.755	79%	0.786	S	S	*	*			trans	-71.8	141.5	169.7	44.6	0	0	0	0	110.8	K872 K876	K872-T874 PolarHBondContact O-N 3.38Å; T874-K876 PolarHBondContact O-N 3.38Å
875	N	27.8	Very low	28.3	Very low	167 Å²	167	155.1 Å²	155.1	89%	0.893	79%	0.789	S	S	*	*			trans	-52.3	119.9	179.5	-72.9	-30.9	0	0	0	112.9
876	K	31.2	Very low	28.7	Very low	211 Å²	211	158.4 Å²	158.4	92%	0.917	80%	0.803	S	S	*	*			trans	-136.4	121.4	145.8	-103.6	-179.7	179.9	178.4	0	109.5	T874	T874-K876 PolarHBondContact O-N 3.38Å
877	S	27.1	Very low	28.7	Very low	112 Å²	112	164.7 Å²	164.7	78%	0.783	82%	0.815	S	S	*	*			trans	-78.5	127.7	-178.1	51	0	0	0	0	111.8
878	Q	30.9	Very low	28.7	Very low	194 Å²	194	162.9 Å²	162.9	91%	0.907	82%	0.818	S	S	*	*			trans	-161.7	149.5	144.1	-110.4	155.3	4.1	0	0	110.6
879	N	26.9	Very low	28.9	Very low	158 Å²	158	162.7 Å²	162.7	85%	0.845	85%	0.847	S	S	*	*			trans	-74.8	149.3	178.8	-56	-54.2	0	0	0	110.6
880	I	27.8	Very low	29	Very low	154 Å²	154	163.6 Å²	163.6	79%	0.79	86%	0.855	S	S	*	*			trans	-168.5	150.1	135.2	-100.6	149.9	0	0	0	109.6
881	H	27.1	Very low	29.1	Very low	181 Å²	181	165.7 Å²	165.7	84%	0.838	86%	0.861	S	S	*	*			trans	-68.9	147.9	179.1	-80.5	-102.8	0	0	0	112.6
882	Y	28.2	Very low	29	Very low	217 Å²	217	167 Å²	167	85%	0.851	87%	0.874	S	S	*	*			trans	-126	138.4	154.6	-91.5	-88.1	0	0	0	111.2
883	S	29.6	Very low	29	Very low	110 Å²	110	165.5 Å²	165.5	77%	0.769	88%	0.876	S	S	*	*			trans	-83	142.8	176.5	48.6	0	0	0	0	111.3	E885	S883-E885 PolarHBondContact O-N 2.81Å
884	S	31.4	Very low	29	Very low	126 Å²	126	163.7 Å²	163.7	88%	0.881	88%	0.878	S	S	*	*			trans	-80.9	98.8	179.2	59.1	0	0	0	0	112.6
885	E	28	Very low	28.7	Very low	188 Å²	188	166.4 Å²	166.4	88%	0.879	89%	0.886	S	S	*	*			trans	-111.2	123.1	145.2	-68.6	-160.6	146.8	0	0	107.8	S883	S883-E885 PolarHBondContact O-N 2.81Å
886	D	32.9	Very low	28.8	Very low	164 Å²	164	166.4 Å²	166.4	88%	0.877	89%	0.885	S	S	*	*			trans	-152.4	153.9	161.1	-144.6	-23	0	0	0	111.7
887	R	25.9	Very low	28.6	Very low	242 Å²	242	162.9 Å²	162.9	91%	0.913	88%	0.883	S	S	*	*			trans	-131.1	111.7	-175.1	-63.4	172.9	177.2	174.4	-1	109.3
888	G	26.5	Very low	28.8	Very low	73 Å²	73	167.2 Å²	167.2	75%	0.753	89%	0.891	S	S	*	*			trans	177	154.3	170.8	0	0	0	0	0	116.6
889	S	29.9	Very low	28.6	Very low	199 Å²	199	164.7 Å²	164.7	100%	1.392	89%	0.89	S	S	*	*			trans	44.8	0	163.1	67.4	0	0	0	0	118.6

Retrieved 889 of 889 residues in 1066.8 ms (Link to these results)

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