A0A5K4F9S1_SCHMA Loading...

Chloride channel protein

AlphaFold DB , UniProt , Accession A0A5K4F9S1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 854 aa.

						>A0A5K4F9S1_SCHMA|A0A5K4F9S1
MFSSEALNPFADPTTTLNNSSQHSQQLTNSTNQHIDSNVPGLTSYTLTENDHGNKSKLIDEKDGILNDEMFTANSNVKFDIGDNRGLSLHSLFPNITKGRNGEFLSYQNINSIHSHSTGTISNVEHYEDFETIDWVKDVSRDRCRHRELHLNKKTCCGSIKACWDSASGWFCVLCVGLLTGFIACIIDIGCTWMSDLKEGVCLDAFWFNREQCCWSSSQADDVCDQWYSWSRLFMNKDPTGEYPDAYFVGYLFYIIYAVLFALVCVFLVRMFAPYACGSGIPEIKTILGGFIIRGYLGKWTLLIKSVGMILGVGAGLNLGKEGPMVHMAACVGNIFAHFFPKYGQNEAKKREILSASAAAGVAVAFGAPIGGVLFSLEEASYYFPMKTMFRSFFCAMVSANVLRILNPYGSDNMIMFYVDYQAQWHVMELIPFALLGLLGGIFGTVFNRANLYICRLRKTTWLGKYPVREVLVVTLITAILSFPHTYLRMNTSELIKLLVSRCSPGSDFSLCDYHFNTSNPMTKVYQNYPAGPSLSTAMVLLAIALVLKLILTVFTFGIKVPTGLFIPSLAAGAIMGRMLGIATEQLVVAYASHPFIVKMCKSSQPCINPGLYAMVGAAATLGGVTRMTISLVVVMLELTGGLNYIIPLMIAAMVSKWTGDRLTNGSIYEEHIRLNDYPYLGSYDELDNTLVAADVMHPRRDSNSPLYVVTQYDMTVGDLDQLVSRCDVKGFPVVVSQDSPYLVGWVSRRELRWALDRERKYDSNIVDDSPVHFATFQQVYADDSQELTPVNLQNIVDLSPTTVSDHTPMETVLDFFKKLGLRQIIVTRNGCPLGVLTKKDILRHVRHHKPNHR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	23.7	Very low	27.4	Very low	250 Å²	250	150.9 Å²	150.9	100%	1.232	84%	0.839	S	S	*	*				0	137.9	0	-150	169.3	-176.6	0	0	107
2	F	29.2	Very low	27.3	Very low	200 Å²	200	151.4 Å²	151.4	88%	0.877	84%	0.839	S	S	*	*			trans	-62	142	-169.5	-92.1	-97.7	0	0	0	114.5
3	S	26.2	Very low	28	Very low	94 Å²	94	147.8 Å²	147.8	66%	0.657	83%	0.827	S	S	*	*			trans	78	126.7	140.9	-46.3	0	0	0	0	121.9
4	S	25.9	Very low	28.1	Very low	112 Å²	112	145.9 Å²	145.9	78%	0.783	82%	0.821	S	S	*	*			trans	76.7	147.6	137.5	31.9	0	0	0	0	121.4
5	E	30.2	Very low	28.2	Very low	180 Å²	180	144.1 Å²	144.1	84%	0.841	81%	0.814	S	S	*	*			trans	87	97.2	176.8	-58	-179.8	167.2	0	0	113.9
6	A	26.3	Very low	28.4	Very low	96 Å²	96	144.1 Å²	144.1	79%	0.793	82%	0.819	S	S	*	*			cis	59.5	87.2	40.3	0	0	0	0	0	114
7	L	29.8	Very low	28.4	Very low	154 Å²	154	144.4 Å²	144.4	81%	0.806	82%	0.817	S	S	*	*			trans	-154.8	90.2	155.8	-103.6	143.9	0	0	0	110
8	N	23.9	Very low	28.5	Very low	163 Å²	163	144.8 Å²	144.8	87%	0.872	82%	0.817	S	S	*	*			trans	-92.4	139.5	141.1	-96.1	-19	0	0	0	105.6
9	P	30.8	Very low	28.5	Very low	97 Å²	97	144.7 Å²	144.7	63%	0.63	81%	0.814	S	S	*	*				-150.9	133.4	117.1	33	-14.7	0	0	0	113.5
10	F	26.9	Very low	28.5	Very low	221 Å²	221	143 Å²	143	97%	0.969	81%	0.812	S	S	*	*			trans	-153.4	98.5	136.3	-99.9	-72.3	0	0	0	108.4
11	A	28.7	Very low	28.6	Very low	93 Å²	93	141 Å²	141	77%	0.769	81%	0.807	S	S	*	*			trans	-147.1	111.2	160	0	0	0	0	0	106.8
12	D	26.3	Very low	28.8	Very low	157 Å²	157	137.1 Å²	137.1	84%	0.84	79%	0.785	S	S	*	*			trans	6.7	160.4	145.8	-69.4	-17.3	0	0	0	119.5
13	P	36	Very low	28.8	Very low	105 Å²	105	135.6 Å²	135.6	68%	0.682	78%	0.781	S	S	*	*			cis	-161	-178.9	43.2	39.6	-14.5	0	0	0	120
14	T	29.2	Very low	28.6	Very low	121 Å²	121	136 Å²	136	74%	0.742	78%	0.784	S	S	*	*			trans	66.2	138.1	148.8	49	0	0	0	0	119.1
15	T	30.2	Very low	28.7	Very low	118 Å²	118	139 Å²	139	72%	0.724	79%	0.785	S	S	*	*			cis	-178.7	143.9	33	9.8	0	0	0	0	108.1
16	T	31.8	Very low	28.5	Very low	144 Å²	144	137.7 Å²	137.7	88%	0.883	78%	0.779	S	S	*	*				175	126.8	124.5	38	0	0	0	0	111.6
17	L	27.9	Very low	28.6	Very low	150 Å²	150	139.6 Å²	139.6	79%	0.785	78%	0.775	S	S	*	*			trans	-74.9	150.6	174.8	-74.6	107.9	0	0	0	113.4
18	N	29.5	Very low	28.5	Very low	152 Å²	152	137.7 Å²	137.7	81%	0.813	77%	0.77	S	S	*	*				-168.5	109.1	123	-105.2	-15.5	0	0	0	114.1
19	N	28.3	Very low	28.5	Very low	143 Å²	143	137.1 Å²	137.1	77%	0.765	77%	0.767	S	S	*	*			trans	34.5	124.6	135.9	-68	-17.6	0	0	0	123.6
20	S	29.9	Very low	28.2	Very low	110 Å²	110	137.3 Å²	137.3	77%	0.769	77%	0.771	S	S	*	*				-153.9	117.9	117.8	60.3	0	0	0	0	111.6
21	S	29.4	Very low	28.3	Very low	101 Å²	101	133.1 Å²	133.1	71%	0.706	76%	0.763	S	S	*	*			trans	19.6	140	142.1	53	0	0	0	0	119.8
22	Q	28.8	Very low	28.2	Very low	168 Å²	168	135.9 Å²	135.9	79%	0.785	77%	0.765	S	S	*	*			cis	-174.4	152.7	31.6	-128.9	170.6	5.2	0	0	110.7
23	H	28	Very low	28.3	Very low	169 Å²	169	136 Å²	136	78%	0.782	76%	0.76	S	S	*	*			trans	80.6	104.8	157.3	-80.9	-66.3	0	0	0	122.2
24	S	22.3	Very low	28.1	Very low	102 Å²	102	138 Å²	138	71%	0.713	76%	0.76	S	S	*	*			trans	-110.9	169.8	149.5	40.8	0	0	0	0	109.8
25	Q	28.8	Very low	28.2	Very low	176 Å²	176	138.6 Å²	138.6	82%	0.822	76%	0.758	S	S	*	*			trans	105.4	136.3	178.7	-67.6	-176.3	-0.5	0	0	113.9
26	Q	26.5	Very low	28	Very low	151 Å²	151	139.8 Å²	139.8	71%	0.706	76%	0.76	S	S	*	*			cis	178.7	166.1	-15.3	-131.7	177.4	-10.8	0	0	105.8
27	L	28.7	Very low	27.9	Very low	136 Å²	136	137.7 Å²	137.7	71%	0.712	75%	0.751	S	S	*	*			trans	77.8	105.3	154.2	-67.4	146	0	0	0	118.1
28	T	26.8	Very low	28.1	Very low	115 Å²	115	137.7 Å²	137.7	71%	0.706	75%	0.752	S	S	*	*				72.2	115.3	85.3	60.8	0	0	0	0	117.7
29	N	24.3	Very low	28.2	Very low	151 Å²	151	136.6 Å²	136.6	81%	0.807	75%	0.75	S	S	*	*			trans	64.4	118.2	138.4	-74.4	-1.5	0	0	0	124.5
30	S	24.7	Very low	28.4	Very low	100 Å²	100	135.8 Å²	135.8	70%	0.699	75%	0.753	S	S	*	*				78.9	120.5	124.2	68.6	0	0	0	0	122.4
31	T	29.3	Very low	28.4	Very low	134 Å²	134	133.7 Å²	133.7	82%	0.822	75%	0.749	S	S	*	*				162.8	116.6	126.4	30	0	0	0	0	108.8
32	N	26.3	Very low	28.4	Very low	150 Å²	150	137.5 Å²	137.5	80%	0.802	76%	0.76	S	S	*	*				99.2	139.2	65.1	-112.8	-0.3	0	0	0	114.3
33	Q	28.8	Very low	28.5	Very low	159 Å²	159	135.8 Å²	135.8	74%	0.743	76%	0.762	S	S	*	*			trans	85.9	135.7	162.5	-70	176.3	-12.9	0	0	118.3
34	H	30	Very low	28.3	Very low	147 Å²	147	131.8 Å²	131.8	68%	0.681	75%	0.752	S	S	*	*			cis	-169	152.1	32	-127.9	-55.2	0	0	0	113.8
35	I	31.5	Very low	28.6	Very low	134 Å²	134	138.2 Å²	138.2	69%	0.687	76%	0.763	S	S	*	*			trans	104.1	103	144.2	-59.1	157.1	0	0	0	121.6
36	D	27	Very low	28.4	Very low	144 Å²	144	134.9 Å²	134.9	77%	0.77	75%	0.754	S	S	*	*				46.3	141.4	129	-49.9	-24.4	0	0	0	122.4
37	S	30.3	Very low	28.4	Very low	99 Å²	99	134.8 Å²	134.8	69%	0.692	76%	0.758	S	S	*	*			cis	-174	162.1	37.5	37.8	0	0	0	0	113.5
38	N	31.6	Very low	28.3	Very low	150 Å²	150	133.8 Å²	133.8	80%	0.802	76%	0.758	S	S	*	*			trans	80.4	135	160.3	-62.6	-18.8	0	0	0	119.7
39	V	31.6	Very low	28.3	Very low	129 Å²	129	136.3 Å²	136.3	78%	0.782	76%	0.762	S	S	*	*			cis	-164.8	159.5	-1.8	139.4	0	0	0	0	106.2
40	P	32.4	Very low	28.5	Very low	126 Å²	126	135.8 Å²	135.8	82%	0.818	76%	0.759	S	S	*	*			trans	-116.6	175.4	-145.7	40.7	-28.9	0	0	0	116.4
41	G	29.7	Very low	28.5	Very low	67 Å²	67	138 Å²	138	69%	0.691	76%	0.763	S	S	*	*			trans	150.5	88.6	148.9	0	0	0	0	0	117.1
42	L	29	Very low	28.5	Very low	180 Å²	180	140.6 Å²	140.6	94%	0.942	77%	0.765	S	S	*	*			trans	-172.9	121.3	130.4	-103.5	144.1	0	0	0	110.4
43	T	30.6	Very low	28.5	Very low	133 Å²	133	137 Å²	137	82%	0.816	76%	0.763	S	S	*	*			trans	-71.7	139	-172.6	35.5	0	0	0	0	113.9
44	S	24	Very low	28.5	Very low	84 Å²	84	136.5 Å²	136.5	59%	0.587	77%	0.766	S	S	*	*			trans	-64.9	154.1	167	49.9	0	0	0	0	114.7
45	Y	28.4	Very low	28.5	Very low	238 Å²	238	138.4 Å²	138.4	93%	0.933	77%	0.772	S	S	*	*				-135	117.5	129.7	-85.6	-77.8	0	0	0	110.1
46	T	24.9	Very low	28.1	Very low	105 Å²	105	137 Å²	137	64%	0.644	78%	0.775	S	S	*	*			trans	-93.8	149.7	172.1	45.3	0	0	0	0	109
47	L	27.7	Very low	28.1	Very low	149 Å²	149	140.3 Å²	140.3	78%	0.78	78%	0.782	S	S	*	*				165.5	122.7	91.4	-84.1	157.5	0	0	0	105.4
48	T	24.8	Very low	27.8	Very low	116 Å²	116	143.1 Å²	143.1	71%	0.712	79%	0.788	S	S	*	*				46.5	117.4	87.5	63.4	0	0	0	0	114.6
49	E	27.3	Very low	27.6	Very low	167 Å²	167	143.5 Å²	143.5	78%	0.78	79%	0.789	S	S	*	*				168.6	154.1	97.9	-101.9	-176.2	-177.2	0	0	106.5
50	N	28.9	Very low	27.2	Very low	141 Å²	141	144.2 Å²	144.2	75%	0.754	79%	0.788	S	S	*	*			cis	-161.9	154.8	31.9	-103.2	-36.3	0	0	0	111.3
51	D	24.4	Very low	26.9	Very low	145 Å²	145	145.4 Å²	145.4	78%	0.775	78%	0.783	S	S	*	*			trans	-87.7	154.4	173.2	-105.1	-38.6	0	0	0	113.3
52	H	29.4	Very low	26.6	Very low	190 Å²	190	150 Å²	150	88%	0.88	78%	0.784	S	S	*	*			trans	135.8	129.6	131	-84.7	-29.2	0	0	0	117.3
53	G	27.5	Very low	26.4	Very low	74 Å²	74	149 Å²	149	76%	0.763	78%	0.779	S	S	*	*			trans	159.9	78	152	0	0	0	0	0	119.6
54	N	28	Very low	26	Very low	149 Å²	149	146.7 Å²	146.7	80%	0.797	78%	0.782	S	S	*	*			trans	82.2	103.5	146.8	-81	-19.2	0	0	0	124.8
55	K	29.5	Very low	26.1	Very low	187 Å²	187	149.5 Å²	149.5	81%	0.813	79%	0.789	S	S	*	*				45.1	106.2	113.2	-72.1	-176.5	-179	178	0	119.4
56	S	24.1	Very low	26	Very low	105 Å²	105	146.1 Å²	146.1	73%	0.734	79%	0.786	S	S	*	*				79.8	113.1	78.9	74.2	0	0	0	0	117.7
57	K	26.9	Very low	26.1	Very low	212 Å²	212	147.8 Å²	147.8	92%	0.922	79%	0.791	S	S	*	*			trans	-160.5	122.8	138.9	-112.6	-178	-177.8	-177.6	0	111
58	L	23.3	Very low	25.9	Very low	158 Å²	158	148.1 Å²	148.1	83%	0.827	79%	0.794	S	S	*	*			trans	-73.7	152.7	166.5	-86.4	83.1	0	0	0	110.9
59	I	27.4	Very low	25.9	Very low	159 Å²	159	151.1 Å²	151.1	82%	0.815	80%	0.8	S	S	*	*				178.1	139.5	110.2	-82.1	155.5	0	0	0	109.9
60	D	23.3	Very low	25.7	Very low	144 Å²	144	151.5 Å²	151.5	77%	0.77	80%	0.804	S	S	*	*			trans	-25.3	139.6	174.4	-60.6	-56	0	0	0	120.2
61	E	25.4	Very low	25.5	Very low	150 Å²	150	155 Å²	155	70%	0.701	81%	0.813	S	S	*	*				178.6	133.5	98.1	-111.8	-168.4	132.3	0	0	112
62	K	23.9	Very low	25.5	Very low	165 Å²	165	154.7 Å²	154.7	72%	0.717	82%	0.816	S	S	*	*			trans	54.3	97.8	148.5	-68.8	170	176.8	148.9	0	119
63	D	25.3	Very low	25.2	Very low	158 Å²	158	150 Å²	150	85%	0.845	81%	0.811	S	S	*	*				-160.1	104.4	128.2	-95.1	-27.3	0	0	0	110.5	I65	D63-I65 PolarHBondContact O-N 3.28Å
64	G	22.3	Very low	25	Very low	85 Å²	85	154.3 Å²	154.3	88%	0.876	82%	0.816	S	S	*	*			trans	-92.6	80.6	172.9	0	0	0	0	0	110.5
65	I	25.6	Very low	24.9	Very low	142 Å²	142	152.5 Å²	152.5	73%	0.728	82%	0.815	S	S	*	*			trans	-105	98	160.8	-61.4	178.6	0	0	0	106.3	D63 N67	D63-I65 PolarHBondContact O-N 3.28Å; I65-N67 PolarHBondContact O-N 3.33Å
66	L	27.2	Very low	24.6	Very low	167 Å²	167	151.1 Å²	151.1	87%	0.874	82%	0.816	S	S	*	*			trans	-68.2	117.2	173.8	-148.7	92.9	0	0	0	108.4	D68	L66-D68 PolarHBondContact O-N 3.02Å
67	N	26.5	Very low	24.7	Very low	140 Å²	140	151.7 Å²	151.7	75%	0.749	82%	0.815	S	S	*	*			trans	-63.9	115.2	173.4	-72.3	-29.5	0	0	0	110.7	I65 E69	I65-N67 PolarHBondContact O-N 3.33Å; N67-E69 VanDerWaalsContact C-N 3.31Å; N67-E69 PolarHBondContact O-N 2.66Å
68	D	23.3	Very low	24.4	Very low	156 Å²	156	150.3 Å²	150.3	83%	0.834	81%	0.809	S	S	*	*			trans	-86.9	74	154.3	-98.4	-28.3	0	0	0	107.6	L66	L66-D68 PolarHBondContact O-N 3.02Å
69	E	24.8	Very low	24.6	Very low	180 Å²	180	151.5 Å²	151.5	84%	0.841	81%	0.808	S	S	*	*			trans	-137.4	82.1	163.6	-81.5	-163.2	162.6	0	0	108.6	N67	N67-E69 VanDerWaalsContact C-N 3.31Å; N67-E69 PolarHBondContact O-N 2.66Å
70	M	23.8	Very low	24.4	Very low	174 Å²	174	150.8 Å²	150.8	86%	0.857	81%	0.806	S	S	*	*			trans	-152.6	69.9	164.3	-151.3	172.7	93.8	0	0	110.2
71	F	23.4	Very low	24.7	Very low	215 Å²	215	151.4 Å²	151.4	94%	0.943	81%	0.808	S	S	*	*			trans	-157.9	59.3	158.1	-96.9	-70.9	0	0	0	110
72	T	24	Very low	24.8	Very low	139 Å²	139	147.6 Å²	147.6	85%	0.853	81%	0.808	S	S	*	*			trans	-141.4	107.2	160.2	44.8	0	0	0	0	107.5
73	A	24.5	Very low	24.9	Very low	92 Å²	92	146.8 Å²	146.8	76%	0.76	81%	0.812	S	S	*	*			trans	128	91.6	164.7	0	0	0	0	0	111.7
74	N	22.6	Very low	25	Very low	164 Å²	164	146.2 Å²	146.2	88%	0.877	81%	0.809	S	S	*	*			trans	-170.6	86.2	136.2	-98.3	-13.1	0	0	0	109.7
75	S	25.6	Very low	25.3	Very low	110 Å²	110	153.7 Å²	153.7	77%	0.769	81%	0.811	S	S	*	*			trans	-143.7	60.2	155.9	63.4	0	0	0	0	108.5	V77	S75-V77 VanDerWaalsContact C-N 3.31Å; S75-V77 PolarHBondContact O-N 3.23Å
76	N	22.9	Very low	25.2	Very low	158 Å²	158	150.3 Å²	150.3	85%	0.845	81%	0.811	S	S	*	*			trans	-86	81.7	158.2	-81.5	-17.2	0	0	0	107.4
77	V	26.1	Very low	25.2	Very low	118 Å²	118	150.7 Å²	150.7	72%	0.715	81%	0.813	S	S	*	*			trans	-89.6	99.3	158	177.1	0	0	0	0	105.7	S75 F79	S75-V77 VanDerWaalsContact C-N 3.31Å; S75-V77 PolarHBondContact O-N 3.23Å; V77-F79 HydrophobicContact CG1-CD2 4.2Å; V77-F79 HydrophobicContact CG1-CE2 4Å; V77-F79 PolarHBondContact O-N 3.19Å
78	K	22.3	Very low	25.1	Very low	182 Å²	182	149 Å²	149	79%	0.791	81%	0.812	S	S	*	*			trans	-65.4	115.7	168.4	-112.9	178.8	173.4	-173.6	0	107.8
79	F	27.2	Very low	25.2	Very low	183 Å²	183	149 Å²	149	80%	0.803	81%	0.811	S	S	*	*			trans	-91	110.3	155.1	-86.4	-86	0	0	0	107.3	V77 I81	V77-F79 HydrophobicContact CG1-CD2 4.2Å; V77-F79 HydrophobicContact CG1-CE2 4Å; V77-F79 PolarHBondContact O-N 3.19Å; F79-I81 PolarHBondContact O-N 3.32Å
80	D	22.1	Very low	25.1	Very low	145 Å²	145	149.7 Å²	149.7	78%	0.775	81%	0.814	S	S	*	*			trans	-70.4	114.4	163.8	-80.9	-32.8	0	0	0	108.2
81	I	29.1	Very low	25.2	Very low	157 Å²	157	145 Å²	145	81%	0.805	80%	0.798	S	S	*	*			trans	-124.8	104.5	156.2	-61.6	-179.9	0	0	0	105.9	F79	F79-I81 PolarHBondContact O-N 3.32Å
82	G	28.6	Very low	25.2	Very low	69 Å²	69	142.4 Å²	142.4	71%	0.711	79%	0.793	S	S	*	*			trans	-70.3	150	174.1	0	0	0	0	0	112.5
83	D	26.4	Very low	25.3	Very low	148 Å²	148	145.5 Å²	145.5	79%	0.791	80%	0.795	S	S	*	*			trans	-48.9	140	-178.6	-65.5	-54.4	0	0	0	115.6
84	N	27.6	Very low	25.5	Very low	147 Å²	147	146.9 Å²	146.9	79%	0.786	80%	0.796	S	S	*	*				165.9	125.4	100.3	-101.4	-44.4	0	0	0	112.8
85	R	28	Very low	25.6	Very low	242 Å²	242	146.2 Å²	146.2	91%	0.913	79%	0.793	S	S	*	*			trans	139.5	109.1	137.5	-77.7	-177.8	-172.9	-166.6	2.5	111
86	G	23.8	Very low	25.7	Very low	71 Å²	71	149.1 Å²	149.1	73%	0.732	80%	0.798	S	S	*	*			trans	-67.1	146	172.1	0	0	0	0	0	112.3
87	L	27.4	Very low	26	Very low	174 Å²	174	147.2 Å²	147.2	91%	0.911	79%	0.792	S	S	*	*			trans	-161.8	132.9	144.3	-99.7	140.8	0	0	0	107.9
88	S	23	Very low	25.9	Very low	104 Å²	104	151.9 Å²	151.9	73%	0.727	80%	0.803	S	S	*	*			trans	-49.6	138.3	-174.9	52.2	0	0	0	0	115.4
89	L	26.3	Very low	26.2	Very low	158 Å²	158	146.6 Å²	146.6	83%	0.827	80%	0.801	S	S	*	*			trans	-144.4	86.8	155.7	-111	156.6	0	0	0	110.7	S91	L89-S91 VanDerWaalsContact C-N 3.33Å; L89-S91 WeakPolarHBondContact CD2-OG 3.33Å; L89-S91 PolarHBondContact O-N 3.34Å
90	H	22.8	Very low	26.1	Very low	193 Å²	193	149.5 Å²	149.5	89%	0.894	81%	0.806	S	S	*	*			trans	-83	73.6	169.3	-160.1	-72.8	0	0	0	108.6
91	S	24.6	Very low	26.2	Very low	76 Å²	76	150 Å²	150	53%	0.531	81%	0.809	S	S	.	*			trans	-175.7	91	168	54.9	0	0	0	0	111.5	L89	L89-S91 VanDerWaalsContact C-N 3.33Å; L89-S91 WeakPolarHBondContact CD2-OG 3.33Å; L89-S91 PolarHBondContact O-N 3.34Å
92	L	24.7	Very low	26	Very low	161 Å²	161	146.3 Å²	146.3	84%	0.843	81%	0.809	S	S	*	*			trans	179.4	64	153.2	-100.5	146	0	0	0	110.6
93	F	25.9	Very low	25.7	Very low	203 Å²	203	151.7 Å²	151.7	89%	0.89	82%	0.816	S	S	*	*			trans	-146.7	106	156.9	-77.4	-72.2	0	0	0	107.8
94	P	29.3	Very low	25.6	Very low	121 Å²	121	154.5 Å²	154.5	79%	0.786	82%	0.821	S	S	*	*			trans	-73.7	129.4	166.3	29.4	-27.8	0	0	0	108.9	I96	P94-I96 PolarHBondContact O-N 3.39Å
95	N	23.5	Very low	25.4	Very low	150 Å²	150	154.8 Å²	154.8	80%	0.802	82%	0.822	S	S	*	*			trans	-49.7	120.3	179.5	-69.6	-48.9	0	0	0	113.3	T97	N95-T97 PolarHBondContact O-N 3.02Å
96	I	27.5	Very low	25.1	Very low	171 Å²	171	146.3 Å²	146.3	88%	0.877	80%	0.8	S	S	*	*			trans	-87.5	98.7	153.8	-63.5	176.8	0	0	0	106.9	P94	P94-I96 PolarHBondContact O-N 3.39Å
97	T	29.4	Very low	25.2	Very low	118 Å²	118	152.8 Å²	152.8	72%	0.724	80%	0.804	S	S	*	*			trans	-68.4	136.9	170.6	38	0	0	0	0	109.9	N95 G99	N95-T97 PolarHBondContact O-N 3.02Å; T97-G99 PolarHBondContact O-N 3.19Å
98	K	24.7	Very low	25.1	Very low	216 Å²	216	151.6 Å²	151.6	94%	0.939	79%	0.794	S	S	*	*			trans	-57	96.7	176.2	-82	174.2	170.4	174	0	111
99	G	27.8	Very low	25.2	Very low	72 Å²	72	151.9 Å²	151.9	74%	0.742	79%	0.787	S	S	*	*			trans	-80.5	113	162.9	0	0	0	0	0	110.1	T97 N101	T97-G99 PolarHBondContact O-N 3.19Å; G99-N101 PolarHBondContact O-N 3.26Å
100	R	25	Very low	25.4	Very low	243 Å²	243	150 Å²	150	92%	0.917	78%	0.777	S	S	*	*			trans	-78.3	93.2	-179.9	-164.5	178.8	-169.8	167.8	0.2	108.1
101	N	25	Very low	25.6	Very low	157 Å²	157	144.5 Å²	144.5	84%	0.84	75%	0.754	S	S	*	*			trans	-170.4	100	155.5	-89.9	-14.9	0	0	0	107.2	G99 E103	G99-N101 PolarHBondContact O-N 3.26Å; N101-E103 PolarHBondContact O-N 2.77Å; N101-E103 VanDerWaalsContact O-N 3.16Å
102	G	24.8	Very low	25.7	Very low	79 Å²	79	143.7 Å²	143.7	81%	0.814	75%	0.748	S	S	*	*			trans	-80.8	89.5	-177.9	0	0	0	0	0	111.2
103	E	22.4	Very low	26	Very low	181 Å²	181	140.6 Å²	140.6	85%	0.846	73%	0.731	S	S	*	*			trans	-91.5	96.8	149.7	-76.6	-173.8	161.6	0	0	107.4	N101 L105	N101-E103 PolarHBondContact O-N 2.77Å; N101-E103 VanDerWaalsContact O-N 3.16Å; E103-L105 VanDerWaalsContact C-N 3.26Å; E103-L105 PolarHBondContact O-N 3.16Å
104	F	23.7	Very low	26.1	Very low	207 Å²	207	136.1 Å²	136.1	91%	0.908	71%	0.713	S	S	*	*			trans	-65.3	92.3	163.9	-102.9	-94.8	0	0	0	107.3	S106	F104-S106 PolarHBondContact O-N 2.72Å
105	L	23.2	Very low	26.1	Very low	154 Å²	154	133.5 Å²	133.5	81%	0.806	70%	0.698	S	S	*	*			trans	-55.3	105.5	165.9	-104.3	148.9	0	0	0	108	E103 Y107	E103-L105 VanDerWaalsContact C-N 3.26Å; E103-L105 PolarHBondContact O-N 3.16Å; L105-Y107 PolarHBondContact O-N 2.7Å
106	S	22.4	Very low	26.4	Very low	63 Å²	63	134.5 Å²	134.5	44%	0.441	70%	0.697	S	S	.	*			trans	-68.8	127.9	-178.4	58.6	0	0	0	0	109.6	F104 Q108 N109	F104-S106 PolarHBondContact O-N 2.72Å; S106-Q108 PolarHBondContact O-N 3.34Å; S106-N109 PolarHBondContact O-N 3.31Å
107	Y	26.6	Very low	26.5	Very low	208 Å²	208	127.2 Å²	127.2	82%	0.816	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	14	166	-94.4	-92.9	0	0	0	113.8	L105 N111	L105-Y107 PolarHBondContact O-N 2.7Å; Y107-N111 PolarHBondContact O-ND2 3.18Å
108	Q	24.6	Very low	26.7	Very low	149 Å²	149	124.4 Å²	124.4	70%	0.696	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-26.6	177.3	-81	-176.8	-23.9	0	0	113.1	S106 I110 N111	S106-Q108 PolarHBondContact O-N 3.34Å; Q108-I110 VanDerWaalsContact C-N 3.32Å; Q108-I110 PolarHBondContact O-N 3.2Å; Q108-N111 PolarHBondContact O-N 3.2Å; Q108-N111 VanDerWaalsContact O-N 3.15Å
109	N	24.3	Very low	27.1	Very low	110 Å²	110	116.7 Å²	116.7	59%	0.588	63%	0.626	S	S	*	*	H	α-helix	trans	-74.3	-15.8	-174.9	-96.7	-9.2	0	0	0	115.2	S106 N111 S112	S106-N109 PolarHBondContact O-N 3.31Å; N109-N111 VanDerWaalsContact C-N 3.31Å; N109-S112 PolarHBondContact O-OG 3.32Å
110	I	31	Very low	27.3	Very low	119 Å²	119	117.3 Å²	117.3	61%	0.61	62%	0.615	S	S	*	*	H	α-helix	trans	-76.9	-23	172.8	-61	172.6	0	0	0	110.9	Q108	Q108-I110 VanDerWaalsContact C-N 3.32Å; Q108-I110 PolarHBondContact O-N 3.2Å
111	N	26.5	Very low	28.1	Very low	77 Å²	77	108.2 Å²	108.2	41%	0.412	58%	0.584	S	S	.	*	H	α-helix	trans	-88.6	-21.3	-174.9	-65	-50.4	0	0	0	113.8	Y107 Q108 N109	Y107-N111 PolarHBondContact O-ND2 3.18Å; Q108-N111 PolarHBondContact O-N 3.2Å; Q108-N111 VanDerWaalsContact O-N 3.15Å; N109-N111 VanDerWaalsContact C-N 3.31Å
112	S	26.6	Very low	28.7	Very low	59 Å²	59	103.1 Å²	103.1	41%	0.413	56%	0.561	S	S	.	*	H	α-helix	trans	-79.3	-24.3	177.1	55.5	0	0	0	0	113.2	N109 S115	N109-S112 PolarHBondContact O-OG 3.32Å; S112-S115 PolarHBondContact O-OG 2.91Å
113	I	31.4	Very low	29.2	Very low	96 Å²	96	106.6 Å²	106.6	49%	0.492	56%	0.561	S	S	.	*	H	α-helix	trans	-77.5	-29.1	177.9	-60.9	174.5	0	0	0	110.9	S117	I113-S117 PolarHBondContact O-OG 2.99Å
114	H	29.4	Very low	30.3	Very low	108 Å²	108	100.5 Å²	100.5	50%	0.5	54%	0.536	S	S	.	.	H	α-helix	trans	-76	-29.4	176.7	-109.2	-29.2	0	0	0	113.9	T118	H114-T118 VanDerWaalsContact O-CG2 3.24Å; H114-T118 WeakPolarHBondContact O-CG2 3.36Å; H114-T118 PolarHBondContact O-N 3.04Å; H114-T118 PolarHBondContact O-OG1 3.39Å
115	S	27.7	Very low	31.7	Very low	67 Å²	67	92.4 Å²	92.4	47%	0.469	50%	0.501	S	S	.	.	H	α-helix	trans	-77.7	-25.3	-175.8	59.8	0	0	0	0	114.2	S112	S112-S115 PolarHBondContact O-OG 2.91Å
116	H	29.5	Very low	33.4	Very low	171 Å²	171	90.3 Å²	90.3	79%	0.792	49%	0.487	S	S	*	.	H	α-helix	trans	-90.2	-17.5	178.6	-92.8	-79.1	0	0	0	114.2
117	S	31.4	Very low	35.3	Very low	18 Å²	18	88.2 Å²	88.2	13%	0.126	47%	0.47	C	S	.	.	H	α-helix	trans	-99.3	-18.8	-176.6	48.8	0	0	0	0	113.9	I113 G119 I121	I113-S117 PolarHBondContact O-OG 2.99Å; S117-G119 VanDerWaalsContact C-N 3.32Å; S117-G119 PolarHBondContact O-N 3.02Å; S117-I121 WeakPolarHBondContact O-CD1 3.29Å; S117-I121 WeakPolarHBondContact O-CG1 3.26Å
118	T	33.7	Very low	37	Very low	58 Å²	58	84 Å²	84	36%	0.356	46%	0.458	S	S	.	.	H	α-helix	trans	-70.4	-25.9	176.1	47.4	0	0	0	0	113.4	H114 T120	H114-T118 VanDerWaalsContact O-CG2 3.24Å; H114-T118 WeakPolarHBondContact O-CG2 3.36Å; H114-T118 PolarHBondContact O-N 3.04Å; H114-T118 PolarHBondContact O-OG1 3.39Å; T118-T120 VanDerWaalsContact C-N 3.35Å; T118-T120 PolarHBondContact O-N 2.87Å
119	G	31.4	Very low	38.9	Very low	55 Å²	55	80 Å²	80	57%	0.567	44%	0.441	S	S	*	.	H	α-helix	trans	-64.7	-34.3	178.9	0	0	0	0	0	114	S117 S122	S117-G119 VanDerWaalsContact C-N 3.32Å; S117-G119 PolarHBondContact O-N 3.02Å; G119-S122 PolarHBondContact O-OG 3.01Å
120	T	33.7	Very low	41	Very low	84 Å²	84	79.1 Å²	79.1	52%	0.515	43%	0.432	S	S	.	.	H	α-helix	trans	-103	-18.8	-171.9	41.4	0	0	0	0	114.8	T118 S122	T118-T120 VanDerWaalsContact C-N 3.35Å; T118-T120 PolarHBondContact O-N 2.87Å; T120-S122 PolarHBondContact O-N 2.94Å
121	I	40.3	Very low	43.1	Very low	52 Å²	52	74.2 Å²	74.2	27%	0.267	41%	0.406	S	S	.	.	H	α-helix	trans	-68.1	-25.1	173	-66.8	166.1	0	0	0	111.5	S117 N123 V124 E125 W754	S117-I121 WeakPolarHBondContact O-CD1 3.29Å; S117-I121 WeakPolarHBondContact O-CG1 3.26Å; I121-N123 PolarHBondContact O-N 3.3Å; I121-N123 VanDerWaalsContact O-N 3.07Å; I121-V124 PolarHBondContact O-N 2.98Å; I121-E125 HydrophobicContact CG2-CG 4.29Å; I121-W754 HydrophobicContact CB-CH2 4.41Å; I121-W754 HydrophobicContact CD1-CH2 4.5Å; I121-W754 HydrophobicContact CG1-CH2 3.45Å; I121-W754 VanDerWaalsContact CG1-CH2 3.45Å; I121-W754 HydrophobicContact CG1-CZ2 4.32Å; I121-W754 HydrophobicContact CG1-CZ3 3.79Å
122	S	37.4	Very low	45.6	Very low	51 Å²	51	71.7 Å²	71.7	36%	0.357	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-56.9	-27.6	-173.4	62.8	0	0	0	0	115.5	G119 T120 V124	G119-S122 PolarHBondContact O-OG 3.01Å; T120-S122 PolarHBondContact O-N 2.94Å; S122-V124 PolarHBondContact O-N 2.8Å
123	N	35.7	Very low	48.3	Very low	151 Å²	151	69.1 Å²	69.1	81%	0.807	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-82.2	-9.7	-174.8	-76.5	-22.6	0	0	0	114.7	I121	I121-N123 PolarHBondContact O-N 3.3Å; I121-N123 VanDerWaalsContact O-N 3.07Å
124	V	45.6	Very low	50.6	Low	54 Å²	54	65.9 Å²	65.9	33%	0.327	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-102	-0.4	-177.7	-174.8	0	0	0	0	112.2	I121 S122 H126 R750 W754	I121-V124 PolarHBondContact O-N 2.98Å; S122-V124 PolarHBondContact O-N 2.8Å; V124-H126 PolarHBondContact O-N 3.38Å; V124-R750 HydrophobicContact CG1-CG 4.46Å; V124-R750 VanDerWaalsContact O-CZ 3.24Å; V124-R750 PolarHBondContact O-NH1 2.82Å; V124-R750 PolarHBondContact O-NH2 3.41Å; V124-W754 HydrophobicContact CG1-CG 4.49Å; V124-W754 HydrophobicContact CG2-CG 4.2Å
125	E	52.7	Low	53.2	Low	37 Å²	37	62 Å²	62	17%	0.173	34%	0.34	C	S	.	.			trans	-89.4	-5.1	-158	-76.6	-172.5	138.6	0	0	116.8	I121 Y127 K137 R141	I121-E125 HydrophobicContact CG2-CG 4.29Å; E125-Y127 PolarHBondContact O-N 2.86Å; E125-Y127 VanDerWaalsContact O-N 3.12Å; E125-K137 IonicContact OE1-NZ 3.66Å; E125-R141 IonicContact OE2-CZ 2.71Å; E125-R141 IonicContact OE2-NH1 3.18Å; E125-R141 PolarHBondContact OE2-NH1 3.48Å
126	H	58.9	Low	55.8	Low	109 Å²	109	62 Å²	62	51%	0.505	34%	0.337	S	S	.	.			trans	-71.2	114	-179.9	-126	59.7	0	0	0	111.1	V124 E128	V124-H126 PolarHBondContact O-N 3.38Å; H126-E128 PolarHBondContact O-N 3.43Å
127	Y	63	Low	58.3	Low	20 Å²	20	56.1 Å²	56.1	8%	0.078	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-53	133.8	175.2	-68.2	-79.3	0	0	0	111.2	E125 I133 D134 D138 I292 R294 E347	E125-Y127 PolarHBondContact O-N 2.86Å; E125-Y127 VanDerWaalsContact O-N 3.12Å; Y127-I133 HydrophobicContact CE2-CG2 4.19Å; Y127-D134 PolarHBondContact OH-N 2.82Å; Y127-D134 VanDerWaalsContact OH-N 3.08Å; Y127-D134 PolarHBondContact OH-O 3.47Å; Y127-D138 PolarHBondContact OH-OD1 3.2Å; Y127-D138 VanDerWaalsContact OH-OD1 3.13Å; Y127-I292 HydrophobicContact CD2-CD1 3.57Å; Y127-I292 HydrophobicContact CG-CD1 3.57Å; Y127-R294 VanDerWaalsContact O-CZ 3.25Å; Y127-R294 PolarHBondContact O-NE 3.12Å; Y127-R294 VanDerWaalsContact O-NE 3.1Å; Y127-R294 PolarHBondContact O-NH2 3.33Å; Y127-E347 HydrophobicContact CD2-CG 3.89Å; Y127-E347 HydrophobicContact CE2-CB 4.35Å; Y127-E347 HydrophobicContact CE2-CG 3.93Å
128	E	63	Low	60.8	Low	120 Å²	120	55.7 Å²	55.7	56%	0.561	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-69.7	167.5	178.1	-67.1	-176.2	170.6	0	0	111.6	H126 E131	H126-E128 PolarHBondContact O-N 3.43Å; E128-E131 HydrophobicContact CB-CG 3.91Å; E128-E131 PolarHBondContact N-OE2 2.86Å; E128-E131 WeakPolarHBondContact O-CB 3.41Å; E128-E131 PolarHBondContact O-N 2.92Å
129	D	63.6	Low	63.3	Low	63 Å²	63	55.8 Å²	55.8	34%	0.337	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	139.6	178.8	-153.1	14	0	0	0	110.3	E131 R294	D129-E131 VanDerWaalsContact C-N 3.26Å; D129-E131 PolarHBondContact O-N 3.37Å; D129-R294 HydrophobicContact CB-CB 4.43Å; D129-R294 HydrophobicContact CB-CG 4.18Å; D129-R294 PolarHBondContact OD1-N 2.82Å
130	F	69.1	Low	65.8	Low	93 Å²	93	56.2 Å²	56.2	41%	0.408	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	29.1	-176.6	-57.9	-98.1	0	0	0	114.4	F291 I292	F130-F291 VanDerWaalsContact C-CE2 3.42Å; F130-F291 HydrophobicContact CB-CE1 4.24Å; F130-F291 HydrophobicContact CB-CE2 4.07Å; F130-F291 HydrophobicContact CB-CZ 3.48Å; F130-F291 VanDerWaalsContact CB-CZ 3.48Å; F130-F291 AromaticContact CD1-CE1 3.46Å; F130-F291 HydrophobicContact CD1-CE1 3.46Å; F130-F291 VanDerWaalsContact CD1-CE1 3.46Å; F130-F291 AromaticContact CD1-CZ 3.39Å; F130-F291 HydrophobicContact CD1-CZ 3.39Å; F130-F291 HydrophobicContact CE1-CE1 4.12Å; F130-F291 HydrophobicContact CE1-CZ 4.44Å; F130-F291 HydrophobicContact CG-CE1 4.15Å; F130-F291 AromaticContact CG-CZ 3.82Å; F130-F291 HydrophobicContact CG-CZ 3.82Å; F130-F291 WeakPolarHBondContact O-CE2 3.36Å; F130-I292 WeakPolarHBondContact CA-O 2.9Å; F130-I292 PolarHBondContact N-O 3.45Å
131	E	74.3	Confident	68.1	Low	16 Å²	16	55.4 Å²	55.4	8%	0.075	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-93.5	153.3	168.2	-70.4	-153.8	121.5	0	0	113.7	E128 D129 I292 K730 R823	E128-E131 HydrophobicContact CB-CG 3.91Å; E128-E131 PolarHBondContact N-OE2 2.86Å; E128-E131 WeakPolarHBondContact O-CB 3.41Å; E128-E131 PolarHBondContact O-N 2.92Å; D129-E131 VanDerWaalsContact C-N 3.26Å; D129-E131 PolarHBondContact O-N 3.37Å; E131-I292 PolarHBondContact O-N 3.45Å; E131-K730 IonicContact OE1-NZ 2.91Å; E131-K730 PolarHBondContact OE1-NZ 3.26Å; E131-R823 IonicContact OE1-NH2 2.81Å
132	T	79.2	Confident	70.3	Confident	23 Å²	23	54 Å²	54	14%	0.141	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-88	127	171.6	50.3	0	0	0	0	109.9	G290 F291	T132-G290 CarbonylContact C-O 3.59Å; T132-G290 VanDerWaalsContact CA-O 3.27Å; T132-G290 WeakPolarHBondContact CA-O 3.28Å; T132-F291 HydrophobicContact CG2-CD2 4.49Å
133	I	82.7	Confident	72.7	Confident	6 Å²	6	60.4 Å²	60.4	3%	0.031	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-63.5	137.8	177.1	-63.5	167	0	0	0	109.8	Y127 W135 G290 I292 E347	Y127-I133 HydrophobicContact CE2-CG2 4.19Å; I133-W135 HydrophobicContact CB-CD2 4.37Å; I133-W135 HydrophobicContact CB-CZ2 4.4Å; I133-W135 HydrophobicContact CD1-CH2 3.76Å; I133-W135 HydrophobicContact CD1-CZ2 4.17Å; I133-W135 HydrophobicContact CD1-CZ3 4.19Å; I133-W135 HydrophobicContact CG2-CD2 3.83Å; I133-W135 HydrophobicContact CG2-CE3 3.68Å; I133-W135 HydrophobicContact CG2-CG 4.38Å; I133-W135 HydrophobicContact CG2-CH2 4.31Å; I133-W135 HydrophobicContact CG2-CZ2 4.49Å; I133-W135 HydrophobicContact CG2-CZ3 3.89Å; I133-W135 PolarHBondContact O-N 3.29Å; I133-G290 PolarHBondContact N-O 3.09Å; I133-I292 HydrophobicContact CD1-CD1 3.88Å; I133-I292 HydrophobicContact CD1-CG1 3.72Å; I133-I292 HydrophobicContact CG1-CD1 3.47Å; I133-I292 VanDerWaalsContact CG1-CD1 3.47Å; I133-I292 HydrophobicContact CG1-CG1 3.67Å; I133-E347 HydrophobicContact CD1-CB 3.9Å; I133-E347 HydrophobicContact CD1-CG 4.43Å; I133-E347 HydrophobicContact CG1-CB 4.32Å; I133-E347 HydrophobicContact CG2-CB 4.07Å
134	D	80.6	Confident	75.1	Confident	27 Å²	27	55.5 Å²	55.5	14%	0.144	27%	0.274	C	S	.	.			trans	-92.3	92.3	169.1	-167.2	-28.9	0	0	0	109.5	Y127 V136 K137 D138	Y127-D134 PolarHBondContact OH-N 2.82Å; Y127-D134 VanDerWaalsContact OH-N 3.08Å; Y127-D134 PolarHBondContact OH-O 3.47Å; D134-V136 VanDerWaalsContact C-N 3.27Å; D134-V136 PolarHBondContact O-N 3.43Å; D134-V136 PolarHBondContact OD1-N 2.95Å; D134-K137 HydrophobicContact CB-CB 3.99Å; D134-K137 PolarHBondContact O-N 2.89Å; D134-K137 PolarHBondContact OD1-N 3.46Å; D134-D138 PolarHBondContact O-N 2.95Å; D134-D138 VanDerWaalsContact O-N 3.09Å
135	W	83.1	Confident	77	Confident	26 Å²	26	56.2 Å²	56.2	10%	0.098	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-33	-176.7	-59.6	107.2	0	0	0	112.1	I133 V139 A348 R351 G821	I133-W135 HydrophobicContact CB-CD2 4.37Å; I133-W135 HydrophobicContact CB-CZ2 4.4Å; I133-W135 HydrophobicContact CD1-CH2 3.76Å; I133-W135 HydrophobicContact CD1-CZ2 4.17Å; I133-W135 HydrophobicContact CD1-CZ3 4.19Å; I133-W135 HydrophobicContact CG2-CD2 3.83Å; I133-W135 HydrophobicContact CG2-CE3 3.68Å; I133-W135 HydrophobicContact CG2-CG 4.38Å; I133-W135 HydrophobicContact CG2-CH2 4.31Å; I133-W135 HydrophobicContact CG2-CZ2 4.49Å; I133-W135 HydrophobicContact CG2-CZ3 3.89Å; I133-W135 PolarHBondContact O-N 3.29Å; W135-V139 WeakPolarHBondContact O-CB 3.35Å; W135-V139 WeakPolarHBondContact O-CG2 3.44Å; W135-V139 PolarHBondContact O-N 3.49Å; W135-A348 HydrophobicContact CE3-CB 3.89Å; W135-A348 HydrophobicContact CZ3-CB 4.32Å; W135-R351 HydrophobicContact CH2-CB 4.04Å; W135-R351 HydrophobicContact CH2-CG 4.07Å; W135-R351 HydrophobicContact CZ3-CB 3.99Å; W135-R351 HydrophobicContact CZ3-CG 4.4Å; W135-G821 VanDerWaalsContact CD1-CA 3.4Å
136	V	82.3	Confident	78.6	Confident	67 Å²	67	58.5 Å²	58.5	41%	0.406	28%	0.281	S	S	.	.	H	α-helix	trans	-68.1	-46.4	-179	178.9	0	0	0	0	110	D134 V139 S140 L822	D134-V136 VanDerWaalsContact C-N 3.27Å; D134-V136 PolarHBondContact O-N 3.43Å; D134-V136 PolarHBondContact OD1-N 2.95Å; V136-V139 PolarHBondContact O-N 3.06Å; V136-S140 WeakPolarHBondContact O-CB 3.38Å; V136-S140 PolarHBondContact O-N 3.45Å; V136-S140 PolarHBondContact O-OG 2.98Å; V136-L822 HydrophobicContact CG2-CD2 3.57Å
137	K	81.9	Confident	80	Confident	48 Å²	48	60.5 Å²	60.5	21%	0.209	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-45.7	176.1	-176.9	176.2	175	174.8	0	112	E125 D134 V139 S140 R141 E751	E125-K137 IonicContact OE1-NZ 3.66Å; D134-K137 HydrophobicContact CB-CB 3.99Å; D134-K137 PolarHBondContact O-N 2.89Å; D134-K137 PolarHBondContact OD1-N 3.46Å; K137-V139 VanDerWaalsContact C-N 3.32Å; K137-V139 PolarHBondContact O-N 3.42Å; K137-S140 PolarHBondContact O-N 2.92Å; K137-S140 PolarHBondContact O-OG 3.37Å; K137-R141 WeakPolarHBondContact O-CB 3.35Å; K137-R141 PolarHBondContact O-N 3.41Å; K137-E751 IonicContact NZ-OE1 2.7Å; K137-E751 PolarHBondContact NZ-OE1 3.43Å
138	D	84.5	Confident	81.1	Confident	10 Å²	10	63.3 Å²	63.3	5%	0.053	30%	0.298	C	S	.	.	H	α-helix	trans	-65.9	-35.7	-179.7	-85.3	16.4	0	0	0	112.2	Y127 D134 D142 N346 E347 A348	Y127-D138 PolarHBondContact OH-OD1 3.2Å; Y127-D138 VanDerWaalsContact OH-OD1 3.13Å; D134-D138 PolarHBondContact O-N 2.95Å; D134-D138 VanDerWaalsContact O-N 3.09Å; D138-D142 PolarHBondContact O-N 3.32Å; D138-D142 VanDerWaalsContact O-N 3.13Å; D138-N346 WeakPolarHBondContact CB-OD1 3.29Å; D138-N346 PolarHBondContact O-ND2 3.46Å; D138-E347 WeakPolarHBondContact OD2-CB 3.44Å; D138-E347 PolarHBondContact OD2-N 3.3Å; D138-A348 HydrophobicContact CB-CB 3.69Å; D138-A348 PolarHBondContact OD2-N 2.92Å
139	V	85.3	Confident	82.1	Confident	60 Å²	60	58.6 Å²	58.6	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-70.5	-41	174.9	169.5	0	0	0	0	111.4	W135 V136 K137 R141 D142 R143 A348	W135-V139 WeakPolarHBondContact O-CB 3.35Å; W135-V139 WeakPolarHBondContact O-CG2 3.44Å; W135-V139 PolarHBondContact O-N 3.49Å; V136-V139 PolarHBondContact O-N 3.06Å; K137-V139 VanDerWaalsContact C-N 3.32Å; K137-V139 PolarHBondContact O-N 3.42Å; V139-R141 VanDerWaalsContact C-N 3.32Å; V139-R141 PolarHBondContact O-N 2.86Å; V139-D142 PolarHBondContact O-N 2.95Å; V139-R143 WeakPolarHBondContact O-CG 3.34Å; V139-R143 PolarHBondContact O-N 2.71Å; V139-A348 HydrophobicContact CG2-CB 4.14Å
140	S	83.8	Confident	83.1	Confident	63 Å²	63	61 Å²	61	44%	0.441	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-39.7	176.8	72.6	0	0	0	0	111.1	V136 K137 D142 R143 C144	V136-S140 WeakPolarHBondContact O-CB 3.38Å; V136-S140 PolarHBondContact O-N 3.45Å; V136-S140 PolarHBondContact O-OG 2.98Å; K137-S140 PolarHBondContact O-N 2.92Å; K137-S140 PolarHBondContact O-OG 3.37Å; S140-D142 PolarHBondContact O-N 3.28Å; S140-R143 PolarHBondContact O-N 3.43Å; S140-C144 PolarHBondContact O-N 3.49Å
141	R	82.2	Confident	84	Confident	68 Å²	68	61.9 Å²	61.9	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-59.3	-44.1	173.8	-158.9	179.3	94.2	137.5	9.9	112	E125 K137 V139 C144 R145 Q345	E125-R141 IonicContact OE2-CZ 2.71Å; E125-R141 IonicContact OE2-NH1 3.18Å; E125-R141 PolarHBondContact OE2-NH1 3.48Å; K137-R141 WeakPolarHBondContact O-CB 3.35Å; K137-R141 PolarHBondContact O-N 3.41Å; V139-R141 VanDerWaalsContact C-N 3.32Å; V139-R141 PolarHBondContact O-N 2.86Å; R141-C144 PolarHBondContact O-N 2.65Å; R141-R145 PolarHBondContact O-N 3.19Å; R141-Q345 PolarHBondContact NH2-O 2.97Å
142	D	86.3	Confident	84.4	Confident	22 Å²	22	65.9 Å²	65.9	12%	0.118	32%	0.316	C	S	.	.	H	α-helix	trans	-66.3	-39.4	176.7	-167.1	50.1	0	0	0	112.3	D138 V139 S140 C144 R145 H146 K349	D138-D142 PolarHBondContact O-N 3.32Å; D138-D142 VanDerWaalsContact O-N 3.13Å; V139-D142 PolarHBondContact O-N 2.95Å; S140-D142 PolarHBondContact O-N 3.28Å; D142-C144 PolarHBondContact O-N 2.82Å; D142-R145 PolarHBondContact O-N 3.5Å; D142-R145 IonicContact OD1-NE 3.17Å; D142-R145 IonicContact OD1-NH2 2.77Å; D142-H146 WeakPolarHBondContact O-CB 3.27Å; D142-H146 PolarHBondContact O-N 3.3Å; D142-K349 WeakPolarHBondContact OD2-CE 3.47Å; D142-K349 IonicContact OD2-NZ 3.73Å
143	R	87.8	Confident	84.4	Confident	185 Å²	185	69.8 Å²	69.8	70%	0.698	33%	0.331	S	S	*	.	H	α-helix	trans	-61.6	-43.2	175.2	-72.4	178.7	-174.1	176.6	2.8	111.8	V139 S140 H146 R147	V139-R143 WeakPolarHBondContact O-CG 3.34Å; V139-R143 PolarHBondContact O-N 2.71Å; S140-R143 PolarHBondContact O-N 3.43Å; R143-H146 PolarHBondContact O-N 3.2Å; R143-R147 PolarHBondContact O-N 3.01Å
144	C	86.2	Confident	84.2	Confident	49 Å²	49	79 Å²	79	33%	0.331	37%	0.371	S	S	.	.	H	α-helix	trans	-60.5	-48.7	176.6	-166.6	0	0	0	0	111	S140 R141 D142 H146 R147 E148	S140-C144 PolarHBondContact O-N 3.49Å; R141-C144 PolarHBondContact O-N 2.65Å; D142-C144 PolarHBondContact O-N 2.82Å; C144-H146 VanDerWaalsContact C-N 3.3Å; C144-H146 PolarHBondContact O-N 2.79Å; C144-R147 WeakPolarHBondContact O-CB 3.29Å; C144-R147 PolarHBondContact O-N 3.44Å; C144-R147 VanDerWaalsContact O-N 3.11Å; C144-E148 PolarHBondContact O-N 2.97Å
145	R	87.1	Confident	84.3	Confident	69 Å²	69	81.8 Å²	81.8	26%	0.26	39%	0.389	S	S	.	.	H	α-helix	trans	-57.2	-41.5	174.8	-168.3	-176.8	80.8	104.4	14.9	112.5	R141 D142 E148 L149 D165	R141-R145 PolarHBondContact O-N 3.19Å; D142-R145 PolarHBondContact O-N 3.5Å; D142-R145 IonicContact OD1-NE 3.17Å; D142-R145 IonicContact OD1-NH2 2.77Å; R145-E148 PolarHBondContact O-N 3.02Å; R145-L149 HydrophobicContact CG-CD1 4.49Å; R145-L149 WeakPolarHBondContact O-CG 3.44Å; R145-L149 PolarHBondContact O-N 2.85Å; R145-D165 IonicContact CZ-OD1 2.96Å; R145-D165 IonicContact CZ-OD2 3.28Å; R145-D165 IonicContact NH1-OD1 3.39Å; R145-D165 PolarHBondContact NH1-OD1 3.02Å; R145-D165 IonicContact NH2-OD1 3.93Å; R145-D165 PolarHBondContact NH2-OD1 3.46Å; R145-D165 IonicContact NH2-OD2 3.74Å; R145-D165 PolarHBondContact NH2-OD2 3.27Å
146	H	86.2	Confident	84.4	Confident	84 Å²	84	85.5 Å²	85.5	39%	0.389	42%	0.418	S	S	.	.	H	α-helix	trans	-65.5	-39.6	178.1	-133.9	68.1	0	0	0	111.9	D142 R143 C144 L149 H150	D142-H146 WeakPolarHBondContact O-CB 3.27Å; D142-H146 PolarHBondContact O-N 3.3Å; R143-H146 PolarHBondContact O-N 3.2Å; C144-H146 VanDerWaalsContact C-N 3.3Å; C144-H146 PolarHBondContact O-N 2.79Å; H146-L149 PolarHBondContact O-N 3.27Å; H146-H150 AromaticContact CD2-CD2 3.77Å; H146-H150 AromaticContact CD2-NE2 3.91Å; H146-H150 PolarHBondContact O-CD2 3.24Å; H146-H150 PolarHBondContact O-N 3.3Å
147	R	87.6	Confident	84.6	Confident	152 Å²	152	87.1 Å²	87.1	57%	0.574	43%	0.431	S	S	*	.	H	α-helix	trans	-63	-44.4	175.9	-170.2	178.8	-179.8	-167.2	-2.2	111.4	R143 C144 L149 H150 L151	R143-R147 PolarHBondContact O-N 3.01Å; C144-R147 WeakPolarHBondContact O-CB 3.29Å; C144-R147 PolarHBondContact O-N 3.44Å; C144-R147 VanDerWaalsContact O-N 3.11Å; R147-L149 VanDerWaalsContact C-N 3.35Å; R147-L149 PolarHBondContact O-N 3Å; R147-H150 PolarHBondContact O-N 3.21Å; R147-L151 HydrophobicContact CG-CD1 4.27Å; R147-L151 VanDerWaalsContact O-CG 3.3Å; R147-L151 WeakPolarHBondContact O-CG 3.16Å; R147-L151 PolarHBondContact O-N 3.25Å
148	E	85.8	Confident	84.8	Confident	79 Å²	79	85.2 Å²	85.2	37%	0.369	43%	0.425	S	S	.	.	H	α-helix	trans	-60.6	-42.6	175.3	-70.7	178.8	177.1	0	0	112.3	C144 R145 L151 N152	C144-E148 PolarHBondContact O-N 2.97Å; R145-E148 PolarHBondContact O-N 3.02Å; E148-L151 PolarHBondContact O-N 3.42Å; E148-N152 WeakPolarHBondContact O-CB 3.37Å; E148-N152 PolarHBondContact O-N 3.4Å; E148-N152 PolarHBondContact O-ND2 2.79Å
149	L	85.1	Confident	84.9	Confident	21 Å²	21	87.3 Å²	87.3	11%	0.11	44%	0.44	C	S	.	.	H	α-helix	trans	-64	-41.3	176	-72.5	169.5	0	0	0	112	R145 H146 R147 N152 K153 K161 D165	R145-L149 HydrophobicContact CG-CD1 4.49Å; R145-L149 WeakPolarHBondContact O-CG 3.44Å; R145-L149 PolarHBondContact O-N 2.85Å; H146-L149 PolarHBondContact O-N 3.27Å; R147-L149 VanDerWaalsContact C-N 3.35Å; R147-L149 PolarHBondContact O-N 3Å; L149-N152 PolarHBondContact O-N 3.14Å; L149-K153 PolarHBondContact O-N 2.92Å; L149-K161 HydrophobicContact CD2-CD 4.3Å; L149-K161 HydrophobicContact CD2-CG 4.22Å; L149-D165 HydrophobicContact CD1-CB 4.22Å
150	H	84.9	Confident	85.1	Confident	113 Å²	113	89.7 Å²	89.7	52%	0.523	45%	0.45	S	S	.	.	H	α-helix	trans	-64.1	-40.4	175.8	-95.9	-83.7	0	0	0	112.5	H146 R147 K153	H146-H150 AromaticContact CD2-CD2 3.77Å; H146-H150 AromaticContact CD2-NE2 3.91Å; H146-H150 PolarHBondContact O-CD2 3.24Å; H146-H150 PolarHBondContact O-N 3.3Å; R147-H150 PolarHBondContact O-N 3.21Å; H150-K153 VanDerWaalsContact O-CB 3.26Å; H150-K153 WeakPolarHBondContact O-CB 3.27Å; H150-K153 PolarHBondContact O-N 3.04Å
151	L	86.1	Confident	85.3	Confident	112 Å²	112	93.3 Å²	93.3	59%	0.586	46%	0.458	S	S	*	.	H	α-helix	trans	-64.8	-41	176	-71.3	166.7	0	0	0	111.5	R147 E148 K153	R147-L151 HydrophobicContact CG-CD1 4.27Å; R147-L151 VanDerWaalsContact O-CG 3.3Å; R147-L151 WeakPolarHBondContact O-CG 3.16Å; R147-L151 PolarHBondContact O-N 3.25Å; E148-L151 PolarHBondContact O-N 3.42Å; L151-K153 VanDerWaalsContact C-N 3.28Å; L151-K153 PolarHBondContact O-N 3.47Å
152	N	82.9	Confident	85.4	Confident	99 Å²	99	91.1 Å²	91.1	53%	0.529	45%	0.454	S	S	.	.	H	α-helix	trans	-75.8	-13.2	179.4	-71.8	-26.5	0	0	0	113.9	E148 L149 K154 T155	E148-N152 WeakPolarHBondContact O-CB 3.37Å; E148-N152 PolarHBondContact O-N 3.4Å; E148-N152 PolarHBondContact O-ND2 2.79Å; L149-N152 PolarHBondContact O-N 3.14Å; N152-K154 PolarHBondContact O-N 3.23Å; N152-T155 PolarHBondContact O-N 3.37Å; N152-T155 VanDerWaalsContact O-N 3.13Å; N152-T155 PolarHBondContact O-OG1 2.9Å
153	K	79.7	Confident	85.6	Confident	105 Å²	105	94.1 Å²	94.1	46%	0.457	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.2	-178.9	-154.5	178.6	-177.6	-177.1	0	113.8	L149 H150 L151 T155 A162	L149-K153 PolarHBondContact O-N 2.92Å; H150-K153 VanDerWaalsContact O-CB 3.26Å; H150-K153 WeakPolarHBondContact O-CB 3.27Å; H150-K153 PolarHBondContact O-N 3.04Å; L151-K153 VanDerWaalsContact C-N 3.28Å; L151-K153 PolarHBondContact O-N 3.47Å; K153-T155 PolarHBondContact O-N 2.89Å; K153-A162 HydrophobicContact CG-CB 4.44Å
154	K	78.6	Confident	85.7	Confident	199 Å²	199	93.1 Å²	93.1	87%	0.865	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.9	176	-64.5	-173.3	178.9	-175.7	0	114	N152	N152-K154 PolarHBondContact O-N 3.23Å
155	T	83.4	Confident	85.8	Confident	87 Å²	87	91.5 Å²	91.5	53%	0.534	46%	0.46	S	S	.	.	S	Bend	trans	-98.6	147.9	173.7	45.2	0	0	0	0	111.2	N152 K153 C157 G158 S159	N152-T155 PolarHBondContact O-N 3.37Å; N152-T155 VanDerWaalsContact O-N 3.13Å; N152-T155 PolarHBondContact O-OG1 2.9Å; K153-T155 PolarHBondContact O-N 2.89Å; T155-C157 VanDerWaalsContact C-N 3.3Å; T155-C157 PolarHBondContact O-N 2.88Å; T155-G158 CarbonylContact O-C 3.6Å; T155-G158 WeakPolarHBondContact O-CA 3.49Å; T155-G158 PolarHBondContact O-N 3.33Å; T155-G158 PolarHBondContact OG1-N 3.37Å; T155-S159 PolarHBondContact O-N 3.48Å
156	C	84.9	Confident	85.8	Confident	104 Å²	104	92 Å²	92	70%	0.703	47%	0.474	S	S	*	.	H	α-helix	trans	-53.9	-46.4	177	-178.9	0	0	0	0	111.8	G158 S159 I160	C156-G158 VanDerWaalsContact C-N 3.33Å; C156-G158 PolarHBondContact O-N 3.02Å; C156-S159 PolarHBondContact O-N 3.33Å; C156-I160 WeakPolarHBondContact O-CG1 3.43Å; C156-I160 PolarHBondContact O-N 2.99Å
157	C	87	Confident	86	Confident	100 Å²	100	90.1 Å²	90.1	68%	0.676	47%	0.473	S	S	*	.	H	α-helix	trans	-61.3	-40.2	175.6	-170.7	0	0	0	0	112.3	T155 I160 K161	T155-C157 VanDerWaalsContact C-N 3.3Å; T155-C157 PolarHBondContact O-N 2.88Å; C157-I160 PolarHBondContact O-N 2.81Å; C157-K161 WeakPolarHBondContact O-CB 3.34Å; C157-K161 PolarHBondContact O-N 3.5Å
158	G	84.7	Confident	86.2	Confident	8 Å²	8	83.1 Å²	83.1	8%	0.082	45%	0.447	C	S	.	.	H	α-helix	trans	-63.8	-39.1	174.8	0	0	0	0	0	113.2	T155 C156 K161 A162	T155-G158 CarbonylContact O-C 3.6Å; T155-G158 WeakPolarHBondContact O-CA 3.49Å; T155-G158 PolarHBondContact O-N 3.33Å; T155-G158 PolarHBondContact OG1-N 3.37Å; C156-G158 VanDerWaalsContact C-N 3.33Å; C156-G158 PolarHBondContact O-N 3.02Å; G158-K161 PolarHBondContact O-N 3.48Å; G158-A162 WeakPolarHBondContact O-CB 3.3Å; G158-A162 PolarHBondContact O-N 2.75Å
159	S	86.7	Confident	86.4	Confident	54 Å²	54	79.3 Å²	79.3	38%	0.378	43%	0.43	S	S	.	.	H	α-helix	trans	-64.6	-43.9	175.4	-167.8	0	0	0	0	112.1	T155 C156 K161 A162 C163	T155-S159 PolarHBondContact O-N 3.48Å; C156-S159 PolarHBondContact O-N 3.33Å; S159-K161 VanDerWaalsContact C-N 3.35Å; S159-K161 PolarHBondContact O-N 3.28Å; S159-A162 PolarHBondContact O-N 2.75Å; S159-C163 WeakPolarHBondContact O-CB 3.15Å; S159-C163 PolarHBondContact O-N 3Å
160	I	89.3	Confident	86.9	Confident	111 Å²	111	83.7 Å²	83.7	57%	0.569	45%	0.445	S	S	*	.	H	α-helix	trans	-61	-45.1	174.5	-65.5	167.8	0	0	0	110.4	C156 C157 A162 C163 W164	C156-I160 WeakPolarHBondContact O-CG1 3.43Å; C156-I160 PolarHBondContact O-N 2.99Å; C157-I160 PolarHBondContact O-N 2.81Å; I160-A162 VanDerWaalsContact C-N 3.33Å; I160-A162 PolarHBondContact O-N 2.91Å; I160-C163 PolarHBondContact O-N 3.43Å; I160-W164 WeakPolarHBondContact O-CB 3.31Å; I160-W164 PolarHBondContact O-N 3.07Å
161	K	87.9	Confident	87.4	Confident	139 Å²	139	83.2 Å²	83.2	60%	0.604	44%	0.442	S	S	*	.	H	α-helix	trans	-62.6	-39.6	178.3	-166.9	174.5	-176.1	176.9	0	112	L149 C157 G158 S159 D165	L149-K161 HydrophobicContact CD2-CD 4.3Å; L149-K161 HydrophobicContact CD2-CG 4.22Å; C157-K161 WeakPolarHBondContact O-CB 3.34Å; C157-K161 PolarHBondContact O-N 3.5Å; G158-K161 PolarHBondContact O-N 3.48Å; S159-K161 VanDerWaalsContact C-N 3.35Å; S159-K161 PolarHBondContact O-N 3.28Å; K161-D165 WeakPolarHBondContact O-CB 3.41Å; K161-D165 PolarHBondContact O-N 3.03Å
162	A	86.1	Confident	87.8	Confident	21 Å²	21	77.9 Å²	77.9	17%	0.174	41%	0.414	C	S	.	.	H	α-helix	trans	-67.3	-41	175.1	0	0	0	0	0	112.2	K153 G158 S159 I160 D165 S166	K153-A162 HydrophobicContact CG-CB 4.44Å; G158-A162 WeakPolarHBondContact O-CB 3.3Å; G158-A162 PolarHBondContact O-N 2.75Å; S159-A162 PolarHBondContact O-N 2.75Å; I160-A162 VanDerWaalsContact C-N 3.33Å; I160-A162 PolarHBondContact O-N 2.91Å; A162-D165 PolarHBondContact O-N 3.44Å; A162-S166 PolarHBondContact O-N 2.7Å
163	C	89.5	Confident	88.5	Confident	86 Å²	86	73.2 Å²	73.2	58%	0.581	39%	0.389	S	S	*	.	H	α-helix	trans	-61.8	-47.9	174.8	-174	0	0	0	0	111.1	S159 I160 D165 S166 A167	S159-C163 WeakPolarHBondContact O-CB 3.15Å; S159-C163 PolarHBondContact O-N 3Å; I160-C163 PolarHBondContact O-N 3.43Å; C163-D165 VanDerWaalsContact C-N 3.31Å; C163-D165 PolarHBondContact O-N 2.99Å; C163-S166 WeakPolarHBondContact O-CB 3.18Å; C163-S166 PolarHBondContact O-N 3.25Å; C163-S166 VanDerWaalsContact O-N 3.16Å; C163-A167 WeakPolarHBondContact O-CB 3.29Å; C163-A167 PolarHBondContact O-N 3.48Å
164	W	90.4	Very high	89.3	Confident	164 Å²	164	71 Å²	71	62%	0.621	38%	0.381	S	S	*	.	H	α-helix	trans	-59	-41.8	174.6	-177.1	-96.8	0	0	0	112	I160 S166 A167 S168	I160-W164 WeakPolarHBondContact O-CB 3.31Å; I160-W164 PolarHBondContact O-N 3.07Å; W164-S166 VanDerWaalsContact C-N 3.31Å; W164-S166 PolarHBondContact O-N 3.4Å; W164-A167 PolarHBondContact O-N 2.73Å; W164-S168 VanDerWaalsContact O-CB 3.25Å; W164-S168 WeakPolarHBondContact O-CB 3.37Å; W164-S168 PolarHBondContact O-N 2.66Å
165	D	88	Confident	90.2	Very high	14 Å²	14	62.6 Å²	62.6	8%	0.075	35%	0.347	C	S	.	.	H	α-helix	trans	-62	-39.5	177.1	-166.5	80.2	0	0	0	112.3	R145 L149 K161 A162 C163 S168 K342	R145-D165 IonicContact CZ-OD1 2.96Å; R145-D165 IonicContact CZ-OD2 3.28Å; R145-D165 IonicContact NH1-OD1 3.39Å; R145-D165 PolarHBondContact NH1-OD1 3.02Å; R145-D165 IonicContact NH2-OD1 3.93Å; R145-D165 PolarHBondContact NH2-OD1 3.46Å; R145-D165 IonicContact NH2-OD2 3.74Å; R145-D165 PolarHBondContact NH2-OD2 3.27Å; L149-D165 HydrophobicContact CD1-CB 4.22Å; K161-D165 WeakPolarHBondContact O-CB 3.41Å; K161-D165 PolarHBondContact O-N 3.03Å; A162-D165 PolarHBondContact O-N 3.44Å; C163-D165 VanDerWaalsContact C-N 3.31Å; C163-D165 PolarHBondContact O-N 2.99Å; D165-S168 PolarHBondContact O-OG 2.62Å; D165-K342 PolarHBondContact O-NZ 3.05Å; D165-K342 IonicContact OD1-NZ 3.43Å; D165-K342 IonicContact OD2-NZ 2.71Å; D165-K342 PolarHBondContact OD2-NZ 3.37Å
166	S	86.4	Confident	90.9	Very high	79 Å²	79	58.5 Å²	58.5	55%	0.552	32%	0.322	S	S	*	.	H	α-helix	trans	-67.4	-44.7	175.4	-167.1	0	0	0	0	112.1	A162 C163 W164	A162-S166 PolarHBondContact O-N 2.7Å; C163-S166 WeakPolarHBondContact O-CB 3.18Å; C163-S166 PolarHBondContact O-N 3.25Å; C163-S166 VanDerWaalsContact O-N 3.16Å; W164-S166 VanDerWaalsContact C-N 3.31Å; W164-S166 PolarHBondContact O-N 3.4Å
167	A	91.1	Very high	91.5	Very high	45 Å²	45	53.5 Å²	53.5	37%	0.372	29%	0.289	S	S	.	.	H	α-helix	trans	-72.8	-29.3	-179.4	0	0	0	0	0	113.8	C163 W164 G169 W170 F171	C163-A167 WeakPolarHBondContact O-CB 3.29Å; C163-A167 PolarHBondContact O-N 3.48Å; W164-A167 PolarHBondContact O-N 2.73Å; A167-G169 PolarHBondContact O-N 3.18Å; A167-G169 VanDerWaalsContact O-N 3.09Å; A167-W170 PolarHBondContact O-N 3.16Å; A167-F171 PolarHBondContact O-N 2.85Å; A167-F171 VanDerWaalsContact O-N 3.08Å
168	S	91.8	Very high	92	Very high	5 Å²	5	52.5 Å²	52.5	4%	0.035	28%	0.276	C	S	.	.	H	α-helix	trans	-53.7	-35.7	-175	64.5	0	0	0	0	113.5	W164 D165 C172	W164-S168 VanDerWaalsContact O-CB 3.25Å; W164-S168 WeakPolarHBondContact O-CB 3.37Å; W164-S168 PolarHBondContact O-N 2.66Å; D165-S168 PolarHBondContact O-OG 2.62Å; S168-C172 VanDerWaalsContact O-CB 3.23Å; S168-C172 WeakPolarHBondContact O-CB 3.46Å; S168-C172 PolarHBondContact O-N 2.93Å
169	G	90.9	Very high	92.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.5	-41.4	177.2	0	0	0	0	0	113.2	A167 V173 Y343	A167-G169 PolarHBondContact O-N 3.18Å; A167-G169 VanDerWaalsContact O-N 3.09Å; G169-V173 WeakPolarHBondContact O-CB 3.3Å; G169-V173 WeakPolarHBondContact O-CG2 3.36Å; G169-V173 PolarHBondContact O-N 2.85Å; G169-V173 VanDerWaalsContact O-N 3.12Å; G169-Y343 WeakPolarHBondContact CA-OH 3.44Å
170	W	94.7	Very high	93.1	Very high	112 Å²	112	52.9 Å²	52.9	42%	0.424	27%	0.272	S	S	.	.	H	α-helix	trans	-69.2	-41.8	177.7	-70.3	100.9	0	0	0	111.6	A167 V173 L174 F390 F394	A167-W170 PolarHBondContact O-N 3.16Å; W170-V173 PolarHBondContact O-N 2.81Å; W170-L174 WeakPolarHBondContact O-CB 3.25Å; W170-L174 PolarHBondContact O-N 3.26Å; W170-F390 HydrophobicContact CH2-CB 4.48Å; W170-F394 HydrophobicContact CE3-CB 4.35Å; W170-F394 AromaticContact CE3-CD1 3.84Å; W170-F394 HydrophobicContact CE3-CD1 3.84Å; W170-F394 HydrophobicContact CE3-CE1 4.26Å; W170-F394 HydrophobicContact CE3-CG 4Å; W170-F394 HydrophobicContact CZ3-CB 3.7Å; W170-F394 HydrophobicContact CZ3-CD1 4.04Å; W170-F394 HydrophobicContact CZ3-CD2 4.21Å; W170-F394 AromaticContact CZ3-CG 3.72Å; W170-F394 HydrophobicContact CZ3-CG 3.72Å
171	F	95.3	Very high	93.5	Very high	104 Å²	104	47.6 Å²	47.6	46%	0.456	25%	0.245	S	C	.	.	H	α-helix	trans	-65.7	-43.1	177.2	-173.7	-92.3	0	0	0	112	A167 V173 L174 C175 F340	A167-F171 PolarHBondContact O-N 2.85Å; A167-F171 VanDerWaalsContact O-N 3.08Å; F171-V173 VanDerWaalsContact C-N 3.34Å; F171-V173 PolarHBondContact O-N 2.87Å; F171-L174 WeakPolarHBondContact O-CB 3.39Å; F171-L174 PolarHBondContact O-N 2.84Å; F171-C175 VanDerWaalsContact CE1-SG 3.53Å; F171-C175 PolarHBondContact O-N 3.39Å; F171-C175 PolarHBondContact O-SG 2.8Å; F171-C175 VanDerWaalsContact O-SG 3.35Å; F171-F340 HydrophobicContact CD1-CE1 4.2Å; F171-F340 HydrophobicContact CD1-CE2 4.49Å; F171-F340 AromaticContact CD1-CZ 3.58Å; F171-F340 HydrophobicContact CD1-CZ 3.58Å; F171-F340 HydrophobicContact CE1-CZ 4.01Å
172	C	95.6	Very high	93.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57	-48.8	174.8	-177.5	0	0	0	0	111.2	S168 L174 C175 V176 F340	S168-C172 VanDerWaalsContact O-CB 3.23Å; S168-C172 WeakPolarHBondContact O-CB 3.46Å; S168-C172 PolarHBondContact O-N 2.93Å; C172-L174 PolarHBondContact O-N 2.79Å; C172-C175 PolarHBondContact O-N 2.94Å; C172-V176 VanDerWaalsContact O-CG2 3.3Å; C172-V176 WeakPolarHBondContact O-CG2 3.33Å; C172-V176 PolarHBondContact O-N 3.42Å; C172-F340 HydrophobicContact CB-CD2 3.73Å; C172-F340 HydrophobicContact CB-CE2 3.7Å
173	V	96.3	Very high	94.4	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-66.7	-36.6	-179.8	174	0	0	0	0	112.3	G169 W170 F171 V176 G177 I353 A356 R391 F394 C395	G169-V173 WeakPolarHBondContact O-CB 3.3Å; G169-V173 WeakPolarHBondContact O-CG2 3.36Å; G169-V173 PolarHBondContact O-N 2.85Å; G169-V173 VanDerWaalsContact O-N 3.12Å; W170-V173 PolarHBondContact O-N 2.81Å; F171-V173 VanDerWaalsContact C-N 3.34Å; F171-V173 PolarHBondContact O-N 2.87Å; V173-V176 PolarHBondContact O-N 2.95Å; V173-G177 PolarHBondContact O-N 3.42Å; V173-I353 HydrophobicContact CG2-CD1 3.74Å; V173-A356 HydrophobicContact CG2-CB 4.49Å; V173-R391 VanDerWaalsContact CG1-O 3.31Å; V173-R391 WeakPolarHBondContact CG1-O 3.45Å; V173-R391 HydrophobicContact CG2-CB 4.3Å; V173-F394 HydrophobicContact CG1-CD1 4.18Å; V173-C395 HydrophobicContact CG1-CB 3.29Å
174	L	97.4	Very high	94.7	Very high	57 Å²	57	42.5 Å²	42.5	30%	0.298	21%	0.211	S	C	.	.	H	α-helix	trans	-57.6	-51.9	171.4	-178.6	77.7	0	0	0	110.7	W170 F171 C172 V176 G177 L178 F394 V398	W170-L174 WeakPolarHBondContact O-CB 3.25Å; W170-L174 PolarHBondContact O-N 3.26Å; F171-L174 WeakPolarHBondContact O-CB 3.39Å; F171-L174 PolarHBondContact O-N 2.84Å; C172-L174 PolarHBondContact O-N 2.79Å; L174-V176 VanDerWaalsContact C-N 3.33Å; L174-V176 PolarHBondContact O-N 3.21Å; L174-G177 PolarHBondContact O-N 2.83Å; L174-L178 HydrophobicContact CG-CD1 4.19Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.07Å; L174-L178 PolarHBondContact O-N 2.89Å; L174-F394 HydrophobicContact CB-CE1 4.09Å; L174-F394 HydrophobicContact CD1-CE1 3.98Å; L174-F394 HydrophobicContact CD1-CZ 3.86Å; L174-V398 HydrophobicContact CD1-CG1 4.21Å; L174-V398 HydrophobicContact CD1-CG2 4.03Å
175	C	97.4	Very high	94.9	Very high	23 Å²	23	35.1 Å²	35.1	16%	0.155	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-40.9	179.6	-67.2	0	0	0	0	112.3	F171 C172 L178 L179 F336	F171-C175 VanDerWaalsContact CE1-SG 3.53Å; F171-C175 PolarHBondContact O-N 3.39Å; F171-C175 PolarHBondContact O-SG 2.8Å; F171-C175 VanDerWaalsContact O-SG 3.35Å; C172-C175 PolarHBondContact O-N 2.94Å; C175-L178 PolarHBondContact O-N 2.8Å; C175-L179 WeakPolarHBondContact O-CB 3.32Å; C175-L179 PolarHBondContact O-N 3Å; C175-F336 HydrophobicContact CB-CD1 3.95Å; C175-F336 HydrophobicContact CB-CD2 4.47Å; C175-F336 HydrophobicContact CB-CE1 3.72Å; C175-F336 HydrophobicContact CB-CE2 4.25Å; C175-F336 HydrophobicContact CB-CG 4.33Å; C175-F336 HydrophobicContact CB-CZ 3.88Å
176	V	97.7	Very high	95.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-61.6	-47.8	175.2	170.4	0	0	0	0	110.8	C172 V173 L174 L178 L179 T180 V332 F336 S357	C172-V176 VanDerWaalsContact O-CG2 3.3Å; C172-V176 WeakPolarHBondContact O-CG2 3.33Å; C172-V176 PolarHBondContact O-N 3.42Å; V173-V176 PolarHBondContact O-N 2.95Å; L174-V176 VanDerWaalsContact C-N 3.33Å; L174-V176 PolarHBondContact O-N 3.21Å; V176-L178 PolarHBondContact O-N 3.43Å; V176-L179 PolarHBondContact O-N 2.74Å; V176-T180 WeakPolarHBondContact O-CB 3.42Å; V176-T180 PolarHBondContact O-N 3.46Å; V176-T180 PolarHBondContact O-OG1 3.45Å; V176-V332 HydrophobicContact CB-CG1 4.39Å; V176-V332 HydrophobicContact CG1-CG1 4.2Å; V176-V332 HydrophobicContact CG2-CG1 4.34Å; V176-F336 HydrophobicContact CG2-CB 3.89Å; V176-F336 HydrophobicContact CG2-CD2 3.87Å; V176-F336 HydrophobicContact CG2-CG 4.2Å; V176-S357 WeakPolarHBondContact CG1-OG 3.37Å
177	G	97.7	Very high	95.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.1	-46	178.6	0	0	0	0	0	112.3	V173 L174 T180 G181 S399	V173-G177 PolarHBondContact O-N 3.42Å; L174-G177 PolarHBondContact O-N 2.83Å; G177-T180 PolarHBondContact O-N 3.17Å; G177-G181 PolarHBondContact O-N 2.61Å; G177-S399 VanDerWaalsContact O-CA 3.3Å; G177-S399 WeakPolarHBondContact O-CA 3.49Å; G177-S399 VanDerWaalsContact O-CB 3.31Å; G177-S399 WeakPolarHBondContact O-CB 3.44Å
178	L	97.9	Very high	95.6	Very high	79 Å²	79	32.8 Å²	32.8	41%	0.414	16%	0.158	S	C	.	.	H	α-helix	trans	-60.1	-51.3	178.1	-69.8	175.3	0	0	0	112.2	L174 C175 V176 G181 F182 V398 V402	L174-L178 HydrophobicContact CG-CD1 4.19Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.07Å; L174-L178 PolarHBondContact O-N 2.89Å; C175-L178 PolarHBondContact O-N 2.8Å; V176-L178 PolarHBondContact O-N 3.43Å; L178-G181 PolarHBondContact O-N 3.49Å; L178-F182 PolarHBondContact O-N 3.44Å; L178-F182 VanDerWaalsContact O-N 3.1Å; L178-V398 HydrophobicContact CD2-CG1 3.78Å; L178-V398 HydrophobicContact CG-CG1 3.95Å; L178-V402 HydrophobicContact CD2-CG2 3.52Å
179	L	97.5	Very high	95.5	Very high	63 Å²	63	36 Å²	36	33%	0.33	18%	0.175	S	C	.	.	H	α-helix	trans	-69.2	-36.8	-177.7	-175.2	60.4	0	0	0	111.9	C175 V176 F182 I183 V332 F336	C175-L179 WeakPolarHBondContact O-CB 3.32Å; C175-L179 PolarHBondContact O-N 3Å; V176-L179 PolarHBondContact O-N 2.74Å; L179-F182 PolarHBondContact O-N 3.06Å; L179-I183 HydrophobicContact CD1-CD1 4.08Å; L179-I183 HydrophobicContact CD1-CG1 4.17Å; L179-I183 HydrophobicContact CD2-CD1 4.36Å; L179-I183 HydrophobicContact CG-CD1 3.81Å; L179-I183 HydrophobicContact CG-CG1 4.32Å; L179-I183 WeakPolarHBondContact O-CB 3.26Å; L179-I183 VanDerWaalsContact O-CG1 3.3Å; L179-I183 WeakPolarHBondContact O-CG1 3.45Å; L179-I183 PolarHBondContact O-N 3.15Å; L179-V332 HydrophobicContact CB-CG1 4.06Å; L179-V332 HydrophobicContact CD2-CG1 3.88Å; L179-V332 HydrophobicContact CD2-CG2 4.08Å; L179-V332 HydrophobicContact CG-CG1 4.19Å; L179-V332 HydrophobicContact CG-CG2 4.3Å; L179-F336 HydrophobicContact CB-CE2 4.12Å; L179-F336 HydrophobicContact CD2-CE2 3.64Å; L179-F336 HydrophobicContact CD2-CZ 4.21Å
180	T	97.5	Very high	95.6	Very high	7 Å²	7	36.7 Å²	36.7	4%	0.043	18%	0.181	C	C	.	.	H	α-helix	trans	-63.5	-44.7	177.4	-57.2	0	0	0	0	111.2	V176 G177 F182 I183 A184 A329 A360 V364	V176-T180 WeakPolarHBondContact O-CB 3.42Å; V176-T180 PolarHBondContact O-N 3.46Å; V176-T180 PolarHBondContact O-OG1 3.45Å; G177-T180 PolarHBondContact O-N 3.17Å; T180-F182 PolarHBondContact O-N 2.99Å; T180-I183 PolarHBondContact O-N 3.33Å; T180-A184 WeakPolarHBondContact O-CB 3.4Å; T180-A184 PolarHBondContact O-N 3.28Å; T180-A329 HydrophobicContact CG2-CB 3.58Å; T180-A360 HydrophobicContact CG2-CB 4.46Å; T180-V364 HydrophobicContact CG2-CG1 4.36Å; T180-V364 HydrophobicContact CG2-CG2 3.96Å
181	G	96.2	Very high	95.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-40.9	175.2	0	0	0	0	0	113	G177 L178 A184 C185	G177-G181 PolarHBondContact O-N 2.61Å; L178-G181 PolarHBondContact O-N 3.49Å; G181-A184 PolarHBondContact O-N 3.13Å; G181-C185 PolarHBondContact O-N 3.1Å; G181-C185 VanDerWaalsContact O-N 3.07Å
182	F	96.6	Very high	95.1	Very high	107 Å²	107	27.6 Å²	27.6	47%	0.469	15%	0.147	S	C	.	.	H	α-helix	trans	-65.8	-44.8	176.9	-176	-104.2	0	0	0	112.7	L178 L179 T180 A184 C185 I186 L406	L178-F182 PolarHBondContact O-N 3.44Å; L178-F182 VanDerWaalsContact O-N 3.1Å; L179-F182 PolarHBondContact O-N 3.06Å; T180-F182 PolarHBondContact O-N 2.99Å; F182-A184 VanDerWaalsContact C-N 3.34Å; F182-A184 PolarHBondContact O-N 3.24Å; F182-C185 WeakPolarHBondContact O-CB 3.31Å; F182-C185 PolarHBondContact O-N 3.47Å; F182-I186 HydrophobicContact CD1-CD1 3.81Å; F182-I186 HydrophobicContact CE1-CD1 3.31Å; F182-I186 HydrophobicContact CE1-CG1 4.33Å; F182-I186 HydrophobicContact CZ-CD1 3.74Å; F182-I186 HydrophobicContact CZ-CG1 4.44Å; F182-I186 PolarHBondContact O-N 3.37Å; F182-I186 VanDerWaalsContact O-N 3.11Å; F182-L406 HydrophobicContact CD2-CD1 4.09Å
183	I	96.7	Very high	94.8	Very high	28 Å²	28	31 Å²	31	14%	0.144	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-42	177.1	-70.1	171.5	0	0	0	110.7	L179 T180 C185 I186 I187 L302 V332	L179-I183 HydrophobicContact CD1-CD1 4.08Å; L179-I183 HydrophobicContact CD1-CG1 4.17Å; L179-I183 HydrophobicContact CD2-CD1 4.36Å; L179-I183 HydrophobicContact CG-CD1 3.81Å; L179-I183 HydrophobicContact CG-CG1 4.32Å; L179-I183 WeakPolarHBondContact O-CB 3.26Å; L179-I183 VanDerWaalsContact O-CG1 3.3Å; L179-I183 WeakPolarHBondContact O-CG1 3.45Å; L179-I183 PolarHBondContact O-N 3.15Å; T180-I183 PolarHBondContact O-N 3.33Å; I183-C185 VanDerWaalsContact C-N 3.34Å; I183-C185 PolarHBondContact O-N 3.21Å; I183-I186 PolarHBondContact O-N 2.8Å; I183-I187 HydrophobicContact CG2-CD1 3.75Å; I183-I187 HydrophobicContact CG2-CG1 4.41Å; I183-I187 VanDerWaalsContact O-CG1 3.31Å; I183-I187 WeakPolarHBondContact O-CG1 3.42Å; I183-I187 PolarHBondContact O-N 2.65Å; I183-L302 HydrophobicContact CD1-CD1 4.23Å; I183-L302 HydrophobicContact CD1-CD2 4.22Å; I183-V332 HydrophobicContact CD1-CG2 3.74Å
184	A	95.6	Very high	94.6	Very high	3 Å²	3	31.9 Å²	31.9	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-59.3	-45.1	176.4	0	0	0	0	0	111.6	T180 G181 F182 I186 I187 D188 M325 V364	T180-A184 WeakPolarHBondContact O-CB 3.4Å; T180-A184 PolarHBondContact O-N 3.28Å; G181-A184 PolarHBondContact O-N 3.13Å; F182-A184 VanDerWaalsContact C-N 3.34Å; F182-A184 PolarHBondContact O-N 3.24Å; A184-I186 PolarHBondContact O-N 3.12Å; A184-I187 PolarHBondContact O-N 3.48Å; A184-D188 WeakPolarHBondContact O-CB 3.17Å; A184-D188 PolarHBondContact O-N 3.07Å; A184-M325 HydrophobicContact CB-SD 4.09Å; A184-V364 HydrophobicContact CB-CB 3.72Å; A184-V364 HydrophobicContact CB-CG1 4.34Å; A184-V364 HydrophobicContact CB-CG2 3.73Å
185	C	94	Very high	94.3	Very high	10 Å²	10	29.5 Å²	29.5	7%	0.068	15%	0.152	C	C	.	.	H	α-helix	trans	-57.9	-46	175.9	-177.3	0	0	0	0	112.6	G181 F182 I183 I187 D188 I189 L403 L406	G181-C185 PolarHBondContact O-N 3.1Å; G181-C185 VanDerWaalsContact O-N 3.07Å; F182-C185 WeakPolarHBondContact O-CB 3.31Å; F182-C185 PolarHBondContact O-N 3.47Å; I183-C185 VanDerWaalsContact C-N 3.34Å; I183-C185 PolarHBondContact O-N 3.21Å; C185-I187 VanDerWaalsContact C-N 3.32Å; C185-I187 PolarHBondContact O-N 2.81Å; C185-D188 PolarHBondContact O-N 3.28Å; C185-I189 WeakPolarHBondContact O-CG1 3.47Å; C185-I189 PolarHBondContact O-N 2.99Å; C185-L403 HydrophobicContact CB-CD1 4.07Å; C185-L406 HydrophobicContact CB-CB 4.39Å; C185-L406 HydrophobicContact CB-CD1 3.77Å
186	I	94.8	Very high	93.9	Very high	83 Å²	83	29.5 Å²	29.5	43%	0.426	15%	0.151	S	C	.	.	H	α-helix	trans	-60.2	-43.1	176.5	-70.2	172	0	0	0	111.4	F182 I183 A184 D188 G190	F182-I186 HydrophobicContact CD1-CD1 3.81Å; F182-I186 HydrophobicContact CE1-CD1 3.31Å; F182-I186 HydrophobicContact CE1-CG1 4.33Å; F182-I186 HydrophobicContact CZ-CD1 3.74Å; F182-I186 HydrophobicContact CZ-CG1 4.44Å; F182-I186 PolarHBondContact O-N 3.37Å; F182-I186 VanDerWaalsContact O-N 3.11Å; I183-I186 PolarHBondContact O-N 2.8Å; A184-I186 PolarHBondContact O-N 3.12Å; I186-D188 VanDerWaalsContact C-N 3.34Å; I186-G190 PolarHBondContact O-N 3.07Å
187	I	94.8	Very high	93.5	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-66	-41.2	179.9	-68.1	170.3	0	0	0	110.2	I183 A184 C185 G190 C191 M309 I310 K321 M328	I183-I187 HydrophobicContact CG2-CD1 3.75Å; I183-I187 HydrophobicContact CG2-CG1 4.41Å; I183-I187 VanDerWaalsContact O-CG1 3.31Å; I183-I187 WeakPolarHBondContact O-CG1 3.42Å; I183-I187 PolarHBondContact O-N 2.65Å; A184-I187 PolarHBondContact O-N 3.48Å; C185-I187 VanDerWaalsContact C-N 3.32Å; C185-I187 PolarHBondContact O-N 2.81Å; I187-G190 PolarHBondContact O-N 3.36Å; I187-C191 VanDerWaalsContact O-CB 3.23Å; I187-C191 WeakPolarHBondContact O-CB 3.27Å; I187-C191 PolarHBondContact O-N 2.92Å; I187-C191 PolarHBondContact O-SG 2.95Å; I187-M309 HydrophobicContact CG2-CG 4.28Å; I187-I310 HydrophobicContact CG2-CG1 4.44Å; I187-K321 HydrophobicContact CG2-CD 4.31Å; I187-M328 HydrophobicContact CD1-CE 3.37Å; I187-M328 HydrophobicContact CD1-SD 3.55Å; I187-M328 VanDerWaalsContact CD1-SD 3.55Å
188	D	91.2	Very high	93.1	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-51.5	-179.3	-78.6	9.4	0	0	0	111.9	A184 C185 I186 C191 T192 K321 P408 Y409	A184-D188 WeakPolarHBondContact O-CB 3.17Å; A184-D188 PolarHBondContact O-N 3.07Å; C185-D188 PolarHBondContact O-N 3.28Å; I186-D188 VanDerWaalsContact C-N 3.34Å; D188-C191 PolarHBondContact O-N 3.16Å; D188-T192 PolarHBondContact O-N 3.49Å; D188-T192 VanDerWaalsContact O-N 3.12Å; D188-T192 PolarHBondContact O-OG1 3.19Å; D188-K321 WeakPolarHBondContact OD1-CE 3.39Å; D188-K321 IonicContact OD1-NZ 2.62Å; D188-K321 PolarHBondContact OD1-NZ 2.94Å; D188-K321 IonicContact OD2-NZ 3.12Å; D188-P408 HydrophobicContact CB-CB 4.16Å; D188-P408 HydrophobicContact CB-CG 4.36Å; D188-Y409 PolarHBondContact OD2-OH 2.93Å
189	I	90.3	Very high	92.5	Very high	74 Å²	74	29.7 Å²	29.7	38%	0.379	15%	0.15	S	C	.	.	H	α-helix	trans	-62.6	-43.9	176.4	-63.4	169.5	0	0	0	110.6	C185 C191 T192 W193 P408	C185-I189 WeakPolarHBondContact O-CG1 3.47Å; C185-I189 PolarHBondContact O-N 2.99Å; I189-C191 PolarHBondContact O-N 3.2Å; I189-T192 PolarHBondContact O-N 3.31Å; I189-T192 PolarHBondContact O-OG1 3.21Å; I189-W193 WeakPolarHBondContact O-CB 3.01Å; I189-W193 PolarHBondContact O-N 2.91Å; I189-W193 VanDerWaalsContact O-N 3.08Å; I189-P408 HydrophobicContact CD1-CB 4.21Å; I189-P408 HydrophobicContact CG1-CB 3.74Å
190	G	93.2	Very high	92.1	Very high	13 Å²	13	26.7 Å²	26.7	13%	0.134	13%	0.134	C	C	.	.	H	α-helix	trans	-64.1	-40.9	179.5	0	0	0	0	0	112.6	I186 I187 M194 I310	I186-G190 PolarHBondContact O-N 3.07Å; I187-G190 PolarHBondContact O-N 3.36Å; G190-M194 VanDerWaalsContact O-CB 3.24Å; G190-M194 WeakPolarHBondContact O-CB 3.45Å; G190-M194 PolarHBondContact O-N 3.3Å; G190-I310 WeakPolarHBondContact O-CG2 3.37Å
191	C	92.1	Very high	91.7	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.027	14%	0.136	C	C	.	.	H	α-helix	trans	-66	-44.7	179	-72.6	0	0	0	0	111.8	I187 D188 I189 S195 V313	I187-C191 VanDerWaalsContact O-CB 3.23Å; I187-C191 WeakPolarHBondContact O-CB 3.27Å; I187-C191 PolarHBondContact O-N 2.92Å; I187-C191 PolarHBondContact O-SG 2.95Å; D188-C191 PolarHBondContact O-N 3.16Å; I189-C191 PolarHBondContact O-N 3.2Å; C191-S195 WeakPolarHBondContact O-CB 3.49Å; C191-S195 PolarHBondContact O-N 2.84Å; C191-S195 PolarHBondContact O-OG 3.21Å; C191-V313 HydrophobicContact CB-CB 4.26Å; C191-V313 HydrophobicContact CB-CG1 4.03Å
192	T	87.2	Confident	91.3	Very high	22 Å²	22	27.2 Å²	27.2	14%	0.135	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-48.7	179.6	51.2	0	0	0	0	110.7	D188 I189 M194 S195 D196 Y409	D188-T192 PolarHBondContact O-N 3.49Å; D188-T192 VanDerWaalsContact O-N 3.12Å; D188-T192 PolarHBondContact O-OG1 3.19Å; I189-T192 PolarHBondContact O-N 3.31Å; I189-T192 PolarHBondContact O-OG1 3.21Å; T192-M194 PolarHBondContact O-N 3.04Å; T192-S195 PolarHBondContact O-N 2.61Å; T192-D196 VanDerWaalsContact O-CG 3.29Å; T192-D196 PolarHBondContact O-N 3.27Å; T192-Y409 HydrophobicContact CG2-CE1 4.09Å
193	W	89.7	Confident	90.7	Very high	70 Å²	70	26.9 Å²	26.9	27%	0.265	14%	0.14	S	C	.	.	H	α-helix	trans	-58.5	-46.7	177.1	173.8	66.4	0	0	0	113	I189 S195 D196 L197 F206	I189-W193 WeakPolarHBondContact O-CB 3.01Å; I189-W193 PolarHBondContact O-N 2.91Å; I189-W193 VanDerWaalsContact O-N 3.08Å; W193-S195 PolarHBondContact O-N 2.86Å; W193-D196 PolarHBondContact O-N 3.41Å; W193-L197 PolarHBondContact O-N 3.33Å; W193-F206 HydrophobicContact CH2-CE1 4.24Å; W193-F206 HydrophobicContact CZ2-CD1 4.18Å; W193-F206 AromaticContact CZ2-CE1 3.5Å; W193-F206 HydrophobicContact CZ2-CE1 3.5Å; W193-F206 AromaticContact CZ2-CZ 3.78Å; W193-F206 HydrophobicContact CZ2-CZ 3.78Å; W193-F206 PolarHBondContact NE1-O 2.89Å
194	M	92.1	Very high	90	Very high	20 Å²	20	31.4 Å²	31.4	10%	0.099	16%	0.164	C	C	.	.	H	α-helix	trans	-68.7	-33.8	-179.1	-164.6	66	65.7	0	0	112.7	G190 T192 L197 F261 I310 L311	G190-M194 VanDerWaalsContact O-CB 3.24Å; G190-M194 WeakPolarHBondContact O-CB 3.45Å; G190-M194 PolarHBondContact O-N 3.3Å; T192-M194 PolarHBondContact O-N 3.04Å; M194-L197 HydrophobicContact SD-CD2 4.25Å; M194-F261 HydrophobicContact CG-CD2 3.91Å; M194-F261 HydrophobicContact CG-CE2 3.76Å; M194-F261 HydrophobicContact CG-CG 4.41Å; M194-F261 HydrophobicContact CG-CZ 4.15Å; M194-F261 HydrophobicContact SD-CD1 4.02Å; M194-F261 HydrophobicContact SD-CD2 4.07Å; M194-F261 HydrophobicContact SD-CE1 3.55Å; M194-F261 VanDerWaalsContact SD-CE1 3.55Å; M194-F261 HydrophobicContact SD-CE2 3.57Å; M194-F261 VanDerWaalsContact SD-CE2 3.57Å; M194-F261 HydrophobicContact SD-CG 4.29Å; M194-F261 HydrophobicContact SD-CZ 3.31Å; M194-F261 WeakPolarHBondContact SD-CZ 3.31Å; M194-I310 HydrophobicContact CB-CG2 4.13Å; M194-I310 HydrophobicContact CE-CG2 4.39Å; M194-L311 HydrophobicContact CE-CD2 4.11Å; M194-L311 HydrophobicContact SD-CD2 4.46Å
195	S	89.8	Confident	89.5	Confident	7 Å²	7	31.8 Å²	31.8	5%	0.049	17%	0.167	C	C	.	.	H	α-helix	trans	-65.9	-45	173.1	-80.1	0	0	0	0	111.6	C191 T192 W193 L197 K198 N491	C191-S195 WeakPolarHBondContact O-CB 3.49Å; C191-S195 PolarHBondContact O-N 2.84Å; C191-S195 PolarHBondContact O-OG 3.21Å; T192-S195 PolarHBondContact O-N 2.61Å; W193-S195 PolarHBondContact O-N 2.86Å; S195-L197 VanDerWaalsContact C-N 3.3Å; S195-L197 PolarHBondContact O-N 3.31Å; S195-K198 WeakPolarHBondContact O-CB 3.41Å; S195-K198 PolarHBondContact O-N 3.16Å; S195-N491 WeakPolarHBondContact CB-ND2 3.48Å; S195-N491 WeakPolarHBondContact CB-OD1 3.27Å; S195-N491 PolarHBondContact OG-OD1 3.34Å; S195-N491 VanDerWaalsContact OG-OD1 3.05Å
196	D	88.6	Confident	89	Confident	23 Å²	23	36.5 Å²	36.5	12%	0.123	19%	0.187	C	C	.	.	H	α-helix	trans	-66.5	-33.3	-178.5	-69.9	-3.4	0	0	0	112	T192 W193 K198 E199 G200 N209 R210 W227	T192-D196 VanDerWaalsContact O-CG 3.29Å; T192-D196 PolarHBondContact O-N 3.27Å; W193-D196 PolarHBondContact O-N 3.41Å; D196-K198 PolarHBondContact O-N 3.06Å; D196-K198 VanDerWaalsContact O-N 3.07Å; D196-E199 PolarHBondContact O-N 3.36Å; D196-G200 PolarHBondContact O-N 2.62Å; D196-N209 WeakPolarHBondContact OD2-CB 3.24Å; D196-R210 WeakPolarHBondContact OD2-CB 3.36Å; D196-R210 PolarHBondContact OD2-N 2.88Å; D196-W227 HydrophobicContact CB-CH2 3.8Å; D196-W227 HydrophobicContact CB-CZ2 4.28Å
197	L	90.5	Very high	88.5	Confident	16 Å²	16	41.4 Å²	41.4	8%	0.084	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.4	177.4	-171.9	61.5	0	0	0	113.3	W193 M194 S195 G200 F206 W230 F261	W193-L197 PolarHBondContact O-N 3.33Å; M194-L197 HydrophobicContact SD-CD2 4.25Å; S195-L197 VanDerWaalsContact C-N 3.3Å; S195-L197 PolarHBondContact O-N 3.31Å; L197-G200 WeakPolarHBondContact CA-O 3.39Å; L197-F206 HydrophobicContact CD1-CE2 3.88Å; L197-F206 HydrophobicContact CD1-CZ 4.34Å; L197-F206 HydrophobicContact CD2-CZ 4.5Å; L197-W230 HydrophobicContact CD1-CZ2 4.06Å; L197-W230 PolarHBondContact O-NE1 3.19Å; L197-F261 HydrophobicContact CD2-CZ 3.91Å; L197-F261 HydrophobicContact CG-CZ 4.42Å
198	K	89.3	Confident	87.9	Confident	7 Å²	7	45.4 Å²	45.4	3%	0.03	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-28.7	173.5	-76.6	170	50.4	-170.4	0	113.6	S195 D196 Y254 F261 G314 A315	S195-K198 WeakPolarHBondContact O-CB 3.41Å; S195-K198 PolarHBondContact O-N 3.16Å; D196-K198 PolarHBondContact O-N 3.06Å; D196-K198 VanDerWaalsContact O-N 3.07Å; K198-Y254 HydrophobicContact CB-CD2 4Å; K198-Y254 HydrophobicContact CB-CE2 4.26Å; K198-Y254 VanDerWaalsContact NZ-CZ 3.26Å; K198-Y254 PolarHBondContact NZ-OH 3.34Å; K198-F261 HydrophobicContact CG-CD2 4.41Å; K198-F261 HydrophobicContact CG-CE2 3.97Å; K198-G314 WeakPolarHBondContact CD-O 3.27Å; K198-A315 PolarHBondContact NZ-O 3.41Å
199	E	85.2	Confident	87.5	Confident	61 Å²	61	45.7 Å²	45.7	29%	0.285	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-35.4	-177.7	-60.9	-163.6	159.6	0	0	111.6	D196 R210 S229 W230	D196-E199 PolarHBondContact O-N 3.36Å; E199-R210 IonicContact OE2-NH1 3.79Å; E199-S229 WeakPolarHBondContact O-CA 3.48Å; E199-W230 PolarHBondContact O-N 3.01Å
200	G	88.2	Confident	87	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	-166.6	-178.2	0	0	0	0	0	113.6	D196 L197 W227 Y228	D196-G200 PolarHBondContact O-N 2.62Å; L197-G200 WeakPolarHBondContact CA-O 3.39Å; G200-W227 VanDerWaalsContact C-CZ2 3.43Å; G200-Y228 CarbonylContact C-O 3.53Å; G200-Y228 WeakPolarHBondContact CA-O 2.98Å
201	V	90.1	Very high	86.3	Confident	16 Å²	16	51.2 Å²	51.2	10%	0.097	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	146.8	-178.8	67.2	0	0	0	0	110.9	F206 Y228 W230	V201-F206 HydrophobicContact CG2-CD2 3.59Å; V201-F206 HydrophobicContact CG2-CE2 4.01Å; V201-Y228 PolarHBondContact N-O 3.12Å; V201-Y228 PolarHBondContact O-N 2.76Å; V201-Y228 VanDerWaalsContact O-N 3.08Å; V201-W230 HydrophobicContact CG1-CH2 4.49Å
202	C	88.1	Confident	85.7	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	120.6	170.1	-166.3	0	0	0	0	109.3	A205 C213 W227	C202-A205 CarbonylContact O-C 3.44Å; C202-C213 HydrophobicContact CB-CB 3.74Å; C202-C213 WeakPolarHBondContact CB-SG 3.36Å; C202-C213 WeakPolarHBondContact SG-CB 3.29Å; C202-C213 CovalentContact SG-SG 2.04Å; C202-C213 PolarHBondContact SG-SG 2.93Å; C202-W227 HydrophobicContact CB-CE3 4.24Å; C202-W227 HydrophobicContact CB-CZ3 4.25Å
203	L	83.4	Confident	85.5	Confident	99 Å²	99	54 Å²	54	52%	0.518	25%	0.246	S	C	.	.	S	Bend	trans	-75.4	-36	-175	-72.9	177.9	0	0	0	113.4	A205 Y228 L233	L203-A205 VanDerWaalsContact C-N 3.32Å; L203-A205 PolarHBondContact O-N 3.43Å; L203-Y228 HydrophobicContact CD1-CD1 4.29Å; L203-Y228 HydrophobicContact CD1-CD2 3.58Å; L203-Y228 HydrophobicContact CD1-CE1 4.34Å; L203-Y228 HydrophobicContact CD1-CE2 3.65Å; L203-Y228 HydrophobicContact CD1-CG 3.93Å; L203-Y228 HydrophobicContact CG-CD2 3.91Å; L203-Y228 HydrophobicContact CG-CE2 4.36Å; L203-Y228 HydrophobicContact CG-CG 4.33Å; L203-L233 HydrophobicContact CD1-CD1 4.38Å; L203-L233 HydrophobicContact CD2-CD1 3.91Å
204	D	82.6	Confident	85	Confident	124 Å²	124	52 Å²	52	66%	0.663	24%	0.243	S	C	*	.	S	Bend	trans	-68.4	-34.2	-179.1	-74.5	-8.2	0	0	0	111.9	Q226	D204-Q226 PolarHBondContact OD2-NE2 3.15Å
205	A	83.3	Confident	84.1	Confident	10 Å²	10	60.1 Å²	60.1	8%	0.083	27%	0.273	C	S	.	.			trans	-151.1	103.2	179.3	0	0	0	0	0	111.2	C202 L203 W207 F208	C202-A205 CarbonylContact O-C 3.44Å; L203-A205 VanDerWaalsContact C-N 3.32Å; L203-A205 PolarHBondContact O-N 3.43Å; A205-W207 HydrophobicContact CB-CZ2 4.43Å; A205-W207 PolarHBondContact O-N 2.61Å; A205-W207 VanDerWaalsContact O-N 3.08Å; A205-F208 HydrophobicContact CB-CD2 3.37Å; A205-F208 HydrophobicContact CB-CE2 3.64Å; A205-F208 HydrophobicContact CB-CG 4.01Å; A205-F208 HydrophobicContact CB-CZ 4.49Å; A205-F208 PolarHBondContact O-N 3.4Å
206	F	85	Confident	82.9	Confident	110 Å²	110	64.1 Å²	64.1	48%	0.482	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.3	-178.1	175.8	-108.4	0	0	0	114.6	W193 L197 V201	W193-F206 HydrophobicContact CH2-CE1 4.24Å; W193-F206 HydrophobicContact CZ2-CD1 4.18Å; W193-F206 AromaticContact CZ2-CE1 3.5Å; W193-F206 HydrophobicContact CZ2-CE1 3.5Å; W193-F206 AromaticContact CZ2-CZ 3.78Å; W193-F206 HydrophobicContact CZ2-CZ 3.78Å; W193-F206 PolarHBondContact NE1-O 2.89Å; L197-F206 HydrophobicContact CD1-CE2 3.88Å; L197-F206 HydrophobicContact CD1-CZ 4.34Å; L197-F206 HydrophobicContact CD2-CZ 4.5Å; V201-F206 HydrophobicContact CG2-CD2 3.59Å; V201-F206 HydrophobicContact CG2-CE2 4.01Å
207	W	83.9	Confident	81.6	Confident	185 Å²	185	65.2 Å²	65.2	70%	0.701	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-5.5	-179.2	52.5	67.9	0	0	0	114.1	A205	A205-W207 HydrophobicContact CB-CZ2 4.43Å; A205-W207 PolarHBondContact O-N 2.61Å; A205-W207 VanDerWaalsContact O-N 3.08Å
208	F	81.9	Confident	79.6	Confident	86 Å²	86	69.9 Å²	69.9	38%	0.377	34%	0.344	S	S	.	.			trans	-83	138.7	176.3	-71.8	-29.4	0	0	0	111.8	A205 Q212	A205-F208 HydrophobicContact CB-CD2 3.37Å; A205-F208 HydrophobicContact CB-CE2 3.64Å; A205-F208 HydrophobicContact CB-CG 4.01Å; A205-F208 HydrophobicContact CB-CZ 4.49Å; A205-F208 PolarHBondContact O-N 3.4Å; F208-Q212 HydrophobicContact CB-CB 4.08Å; F208-Q212 HydrophobicContact CD1-CB 4.16Å; F208-Q212 HydrophobicContact CG-CB 4.13Å
209	N	82.4	Confident	77.4	Confident	10 Å²	10	77.9 Å²	77.9	5%	0.053	38%	0.382	C	S	.	.			trans	-73.6	171.6	167.8	74.7	-7.1	0	0	0	109.8	D196 E211 Q212 C213	D196-N209 WeakPolarHBondContact OD2-CB 3.24Å; N209-E211 VanDerWaalsContact C-N 3.35Å; N209-E211 PolarHBondContact O-N 2.96Å; N209-Q212 PolarHBondContact O-N 3.47Å; N209-Q212 WeakPolarHBondContact OD1-CB 3.38Å; N209-Q212 VanDerWaalsContact OD1-CD 3.3Å; N209-Q212 WeakPolarHBondContact OD1-CG 3.22Å; N209-Q212 PolarHBondContact OD1-N 2.93Å; N209-Q212 PolarHBondContact OD1-OE1 2.92Å; N209-C213 WeakPolarHBondContact O-CB 3.4Å; N209-C213 PolarHBondContact O-N 3.02Å
210	R	80.7	Confident	75.5	Confident	113 Å²	113	80 Å²	80	43%	0.426	41%	0.409	S	S	.	.	H	α-helix	trans	-60.1	-44.3	-177	-178.4	177	170.8	-165.6	-6.3	112	D196 E199 Q212 C213 C214 W227	D196-R210 WeakPolarHBondContact OD2-CB 3.36Å; D196-R210 PolarHBondContact OD2-N 2.88Å; E199-R210 IonicContact OE2-NH1 3.79Å; R210-Q212 PolarHBondContact O-N 3.38Å; R210-C213 PolarHBondContact O-N 3.31Å; R210-C214 WeakPolarHBondContact O-CB 3.31Å; R210-C214 PolarHBondContact O-N 3.36Å; R210-C214 PolarHBondContact O-SG 3.26Å; R210-W227 HydrophobicContact CB-CD2 4.12Å; R210-W227 HydrophobicContact CB-CE3 3.95Å; R210-W227 HydrophobicContact CB-CH2 4Å; R210-W227 HydrophobicContact CB-CZ2 4.13Å; R210-W227 HydrophobicContact CB-CZ3 3.88Å; R210-W227 HydrophobicContact CG-CD2 3.85Å; R210-W227 HydrophobicContact CG-CE3 4.08Å; R210-W227 HydrophobicContact CG-CG 4.19Å; R210-W227 HydrophobicContact CG-CZ2 4.46Å; R210-W227 HydrophobicContact CG-CZ3 4.5Å
211	E	77.9	Confident	73.3	Confident	90 Å²	90	86 Å²	86	42%	0.421	44%	0.442	S	S	.	.	H	α-helix	trans	-61.7	-43.1	-179.7	-70.4	-172.6	161.8	0	0	112.4	N209 C214 W215	N209-E211 VanDerWaalsContact C-N 3.35Å; N209-E211 PolarHBondContact O-N 2.96Å; E211-C214 PolarHBondContact O-N 3.38Å; E211-W215 PolarHBondContact O-N 3.18Å; E211-W215 VanDerWaalsContact O-N 3.1Å
212	Q	80.1	Confident	71.6	Confident	81 Å²	81	92.6 Å²	92.6	38%	0.379	48%	0.476	S	S	.	.	H	α-helix	trans	-70	-38.5	177.7	-71.5	167.3	-15	0	0	112	F208 N209 R210 C214 W215	F208-Q212 HydrophobicContact CB-CB 4.08Å; F208-Q212 HydrophobicContact CD1-CB 4.16Å; F208-Q212 HydrophobicContact CG-CB 4.13Å; N209-Q212 PolarHBondContact O-N 3.47Å; N209-Q212 WeakPolarHBondContact OD1-CB 3.38Å; N209-Q212 VanDerWaalsContact OD1-CD 3.3Å; N209-Q212 WeakPolarHBondContact OD1-CG 3.22Å; N209-Q212 PolarHBondContact OD1-N 2.93Å; N209-Q212 PolarHBondContact OD1-OE1 2.92Å; R210-Q212 PolarHBondContact O-N 3.38Å; Q212-C214 PolarHBondContact O-N 3.04Å; Q212-W215 WeakPolarHBondContact O-CB 3.39Å; Q212-W215 PolarHBondContact O-N 2.82Å
213	C	82.9	Confident	70.3	Confident	3 Å²	3	96.8 Å²	96.8	2%	0.02	50%	0.502	C	S	.	.	H	α-helix	trans	-61.8	-36.4	175.6	-169	0	0	0	0	111.2	C202 N209 R210 Q226 W227	C202-C213 HydrophobicContact CB-CB 3.74Å; C202-C213 WeakPolarHBondContact CB-SG 3.36Å; C202-C213 WeakPolarHBondContact SG-CB 3.29Å; C202-C213 CovalentContact SG-SG 2.04Å; C202-C213 PolarHBondContact SG-SG 2.93Å; N209-C213 WeakPolarHBondContact O-CB 3.4Å; N209-C213 PolarHBondContact O-N 3.02Å; R210-C213 PolarHBondContact O-N 3.31Å; C213-Q226 PolarHBondContact O-OE1 3.32Å; C213-W227 HydrophobicContact CB-CE3 4.18Å
214	C	80	Confident	69.8	Low	29 Å²	29	93 Å²	93	20%	0.196	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	4	-177.6	-54.5	0	0	0	0	114.1	R210 E211 Q212 S216 S217 C224	R210-C214 WeakPolarHBondContact O-CB 3.31Å; R210-C214 PolarHBondContact O-N 3.36Å; R210-C214 PolarHBondContact O-SG 3.26Å; E211-C214 PolarHBondContact O-N 3.38Å; Q212-C214 PolarHBondContact O-N 3.04Å; C214-S216 VanDerWaalsContact C-N 3.27Å; C214-S216 PolarHBondContact O-N 2.98Å; C214-S217 PolarHBondContact O-N 3.09Å; C214-S217 PolarHBondContact O-OG 3.45Å; C214-S217 VanDerWaalsContact O-OG 3.09Å; C214-C224 WeakPolarHBondContact CA-SG 3.46Å; C214-C224 HydrophobicContact CB-CB 3.74Å; C214-C224 WeakPolarHBondContact CB-SG 3.2Å; C214-C224 WeakPolarHBondContact SG-CB 3.32Å; C214-C224 CovalentContact SG-SG 2.02Å; C214-C224 PolarHBondContact SG-SG 3.39Å
215	W	73.2	Confident	69.5	Low	189 Å²	189	92.2 Å²	92.2	72%	0.716	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.9	-174.4	-173.4	-80.2	0	0	0	113.2	E211 Q212	E211-W215 PolarHBondContact O-N 3.18Å; E211-W215 VanDerWaalsContact O-N 3.1Å; Q212-W215 WeakPolarHBondContact O-CB 3.39Å; Q212-W215 PolarHBondContact O-N 2.82Å
216	S	64.5	Low	69.4	Low	92 Å²	92	95.1 Å²	95.1	64%	0.643	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-13.7	-178	63.4	0	0	0	0	114.4	C214 S218	C214-S216 VanDerWaalsContact C-N 3.27Å; C214-S216 PolarHBondContact O-N 2.98Å; S216-S218 VanDerWaalsContact C-N 3.29Å; S216-S218 PolarHBondContact O-N 3.22Å
217	S	59.6	Low	69.3	Low	45 Å²	45	91.1 Å²	91.1	32%	0.315	47%	0.473	S	S	.	.			trans	-90.8	34.9	-172	69.1	0	0	0	0	113.5	C214 Q219	C214-S217 PolarHBondContact O-N 3.09Å; C214-S217 PolarHBondContact O-OG 3.45Å; C214-S217 VanDerWaalsContact O-OG 3.09Å; S217-Q219 PolarHBondContact O-N 3.27Å
218	S	50.2	Low	69.4	Low	114 Å²	114	85.3 Å²	85.3	80%	0.797	45%	0.451	S	S	*	.			trans	-65.8	21.4	-177.9	55.5	0	0	0	0	115.9	S216 A220	S216-S218 VanDerWaalsContact C-N 3.29Å; S216-S218 PolarHBondContact O-N 3.22Å; S218-A220 PolarHBondContact O-N 3.11Å
219	Q	42.1	Very low	69.6	Low	176 Å²	176	82.1 Å²	82.1	82%	0.822	44%	0.439	S	S	*	.	S	Bend	trans	-88.5	90.5	167.2	-93.5	177.4	-16.1	0	0	110.3	S217 D221	S217-Q219 PolarHBondContact O-N 3.27Å; Q219-D221 PolarHBondContact O-N 3.29Å
220	A	44.4	Very low	69.9	Low	105 Å²	105	82.6 Å²	82.6	87%	0.868	44%	0.44	S	S	*	.	S	Bend	trans	48.1	-17.2	146	0	0	0	0	0	122.3	S218	S218-A220 PolarHBondContact O-N 3.11Å
221	D	42.3	Very low	70.1	Confident	127 Å²	127	77.3 Å²	77.3	68%	0.679	42%	0.42	S	S	*	.	S	Bend	trans	-117.3	125.7	176.1	-68	-33	0	0	0	107.7	Q219 V223	Q219-D221 PolarHBondContact O-N 3.29Å; D221-V223 PolarHBondContact O-N 3.23Å
222	D	55.2	Low	70.4	Confident	154 Å²	154	75 Å²	75	82%	0.824	41%	0.408	S	S	*	.	S	Bend	trans	-60.8	15	-178	-85.1	-31.1	0	0	0	115	C224	D222-C224 PolarHBondContact O-N 3.36Å
223	V	60.6	Low	70.7	Confident	91 Å²	91	74.2 Å²	74.2	55%	0.552	41%	0.406	S	S	*	.			trans	-96.4	94.7	-177.7	-171.3	0	0	0	0	109.6	D221 D225	D221-V223 PolarHBondContact O-N 3.23Å; V223-D225 PolarHBondContact O-N 2.85Å
224	C	73.9	Confident	70.8	Confident	20 Å²	20	79.9 Å²	79.9	14%	0.135	43%	0.43	C	S	.	.			trans	-76.3	98.8	173.2	178.2	0	0	0	0	111.1	C214 D222 Q226 W227	C214-C224 WeakPolarHBondContact CA-SG 3.46Å; C214-C224 HydrophobicContact CB-CB 3.74Å; C214-C224 WeakPolarHBondContact CB-SG 3.2Å; C214-C224 WeakPolarHBondContact SG-CB 3.32Å; C214-C224 CovalentContact SG-SG 2.02Å; C214-C224 PolarHBondContact SG-SG 3.39Å; D222-C224 PolarHBondContact O-N 3.36Å; C224-Q226 PolarHBondContact O-N 3.23Å; C224-W227 HydrophobicContact CB-CB 4.3Å; C224-W227 PolarHBondContact O-N 3.35Å
225	D	75	Confident	70.9	Confident	106 Å²	106	81.5 Å²	81.5	57%	0.567	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.1	-178.2	-76.8	-32.2	0	0	0	114.5	V223 Y228 R232	V223-D225 PolarHBondContact O-N 2.85Å; D225-Y228 WeakPolarHBondContact O-CE2 3.17Å; D225-R232 IonicContact OD1-NH2 3.92Å
226	Q	81	Confident	71.3	Confident	72 Å²	72	79.1 Å²	79.1	34%	0.336	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-16.7	-179.1	-59.2	-149.1	-41.6	0	0	113.4	D204 C213 C224 Y228	D204-Q226 PolarHBondContact OD2-NE2 3.15Å; C213-Q226 PolarHBondContact O-OE1 3.32Å; C224-Q226 PolarHBondContact O-N 3.23Å; Q226-Y228 WeakPolarHBondContact O-CD2 3.34Å
227	W	83.9	Confident	71.8	Confident	26 Å²	26	78.1 Å²	78.1	10%	0.098	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116	-178.5	-176.4	-97.7	0	0	0	111.3	D196 G200 C202 R210 C213 C224	D196-W227 HydrophobicContact CB-CH2 3.8Å; D196-W227 HydrophobicContact CB-CZ2 4.28Å; G200-W227 VanDerWaalsContact C-CZ2 3.43Å; C202-W227 HydrophobicContact CB-CE3 4.24Å; C202-W227 HydrophobicContact CB-CZ3 4.25Å; R210-W227 HydrophobicContact CB-CD2 4.12Å; R210-W227 HydrophobicContact CB-CE3 3.95Å; R210-W227 HydrophobicContact CB-CH2 4Å; R210-W227 HydrophobicContact CB-CZ2 4.13Å; R210-W227 HydrophobicContact CB-CZ3 3.88Å; R210-W227 HydrophobicContact CG-CD2 3.85Å; R210-W227 HydrophobicContact CG-CE3 4.08Å; R210-W227 HydrophobicContact CG-CG 4.19Å; R210-W227 HydrophobicContact CG-CZ2 4.46Å; R210-W227 HydrophobicContact CG-CZ3 4.5Å; C213-W227 HydrophobicContact CB-CE3 4.18Å; C224-W227 HydrophobicContact CB-CB 4.3Å; C224-W227 PolarHBondContact O-N 3.35Å
228	Y	86	Confident	72.4	Confident	62 Å²	62	78.9 Å²	78.9	24%	0.243	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	113	179.4	-74.7	-103.6	0	0	0	110.1	G200 V201 L203 D225 Q226 R232	G200-Y228 CarbonylContact C-O 3.53Å; G200-Y228 WeakPolarHBondContact CA-O 2.98Å; V201-Y228 PolarHBondContact N-O 3.12Å; V201-Y228 PolarHBondContact O-N 2.76Å; V201-Y228 VanDerWaalsContact O-N 3.08Å; L203-Y228 HydrophobicContact CD1-CD1 4.29Å; L203-Y228 HydrophobicContact CD1-CD2 3.58Å; L203-Y228 HydrophobicContact CD1-CE1 4.34Å; L203-Y228 HydrophobicContact CD1-CE2 3.65Å; L203-Y228 HydrophobicContact CD1-CG 3.93Å; L203-Y228 HydrophobicContact CG-CD2 3.91Å; L203-Y228 HydrophobicContact CG-CE2 4.36Å; L203-Y228 HydrophobicContact CG-CG 4.33Å; D225-Y228 WeakPolarHBondContact O-CE2 3.17Å; Q226-Y228 WeakPolarHBondContact O-CD2 3.34Å; Y228-R232 HydrophobicContact CD1-CB 4.4Å; Y228-R232 HydrophobicContact CD1-CG 3.86Å; Y228-R232 HydrophobicContact CE1-CG 4.25Å
229	S	85.5	Confident	73.1	Confident	19 Å²	19	76.4 Å²	76.4	13%	0.133	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	152.5	164.9	64.4	0	0	0	0	110.2	E199 S231 R232 L233	E199-S229 WeakPolarHBondContact O-CA 3.48Å; S229-S231 PolarHBondContact O-N 2.83Å; S229-S231 VanDerWaalsContact O-N 3.16Å; S229-S231 PolarHBondContact OG-OG 3.39Å; S229-R232 WeakPolarHBondContact O-CA 3.39Å; S229-R232 PolarHBondContact O-N 2.91Å; S229-R232 WeakPolarHBondContact OG-CB 3.41Å; S229-R232 PolarHBondContact OG-N 3.39Å; S229-L233 PolarHBondContact O-N 3.44Å
230	W	87.9	Confident	74.1	Confident	21 Å²	21	71.5 Å²	71.5	8%	0.08	39%	0.385	C	S	.	.	H	α-helix	trans	-56.4	-35	179.6	-69.6	111.4	0	0	0	112.8	L197 E199 V201 L233 F234 F253 Y257	L197-W230 HydrophobicContact CD1-CZ2 4.06Å; L197-W230 PolarHBondContact O-NE1 3.19Å; E199-W230 PolarHBondContact O-N 3.01Å; V201-W230 HydrophobicContact CG1-CH2 4.49Å; W230-L233 HydrophobicContact CE3-CD2 3.96Å; W230-L233 HydrophobicContact CZ3-CD2 3.82Å; W230-L233 PolarHBondContact O-N 3.18Å; W230-F234 HydrophobicContact CE3-CD2 4.43Å; W230-F234 AromaticContact CE3-CE2 3.78Å; W230-F234 HydrophobicContact CE3-CE2 3.78Å; W230-F234 HydrophobicContact CZ3-CE2 4.29Å; W230-F234 VanDerWaalsContact O-CD2 3.25Å; W230-F234 WeakPolarHBondContact O-CD2 3.2Å; W230-F234 PolarHBondContact O-N 3.5Å; W230-F234 VanDerWaalsContact O-N 3.14Å; W230-F253 HydrophobicContact CB-CB 3.87Å; W230-F253 HydrophobicContact CB-CD2 3.95Å; W230-F253 HydrophobicContact CB-CG 3.93Å; W230-F253 HydrophobicContact CD2-CD1 4.47Å; W230-F253 HydrophobicContact CD2-CG 4.49Å; W230-F253 HydrophobicContact CG-CB 3.87Å; W230-F253 HydrophobicContact CG-CG 4.08Å; W230-Y257 HydrophobicContact CD2-CE2 4.15Å; W230-Y257 AromaticContact CE2-CE2 3.44Å; W230-Y257 VanDerWaalsContact CE2-CE2 3.44Å; W230-Y257 HydrophobicContact CH2-CE2 4.03Å; W230-Y257 AromaticContact CH2-CZ 3.87Å; W230-Y257 WeakPolarHBondContact CH2-OH 3.48Å; W230-Y257 HydrophobicContact CZ2-CD2 4.38Å; W230-Y257 AromaticContact CZ2-CE2 3.37Å; W230-Y257 HydrophobicContact CZ2-CE2 3.37Å; W230-Y257 AromaticContact CZ2-CZ 3.49Å; W230-Y257 VanDerWaalsContact CZ2-CZ 3.49Å; W230-Y257 WeakPolarHBondContact CZ2-OH 3.4Å; W230-Y257 AromaticContact NE1-CD2 4Å; W230-Y257 AromaticContact NE1-CE2 3.7Å
231	S	85.4	Confident	75	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.007	39%	0.388	C	S	.	.	H	α-helix	trans	-67	-41.4	174.2	60.3	0	0	0	0	112.6	S229 M235 K237 P239 A246	S229-S231 PolarHBondContact O-N 2.83Å; S229-S231 VanDerWaalsContact O-N 3.16Å; S229-S231 PolarHBondContact OG-OG 3.39Å; S231-M235 WeakPolarHBondContact O-CB 3.24Å; S231-M235 PolarHBondContact O-N 3.07Å; S231-K237 CarbonylContact C-O 3.57Å; S231-P239 WeakPolarHBondContact OG-CD 3.15Å; S231-A246 WeakPolarHBondContact CB-O 3.08Å
232	R	84.5	Confident	76.3	Confident	43 Å²	43	71.8 Å²	71.8	16%	0.162	39%	0.388	C	S	.	.	H	α-helix	trans	-64.8	-40.4	176.1	-168.6	-173.2	-178	131.8	-17.7	110.9	D225 Y228 S229 N236 K237 D238	D225-R232 IonicContact OD1-NH2 3.92Å; Y228-R232 HydrophobicContact CD1-CB 4.4Å; Y228-R232 HydrophobicContact CD1-CG 3.86Å; Y228-R232 HydrophobicContact CE1-CG 4.25Å; S229-R232 WeakPolarHBondContact O-CA 3.39Å; S229-R232 PolarHBondContact O-N 2.91Å; S229-R232 WeakPolarHBondContact OG-CB 3.41Å; S229-R232 PolarHBondContact OG-N 3.39Å; R232-N236 WeakPolarHBondContact O-CA 3.46Å; R232-N236 PolarHBondContact O-N 3.09Å; R232-N236 PolarHBondContact O-OD1 3.34Å; R232-K237 WeakPolarHBondContact CA-O 3.38Å; R232-K237 PolarHBondContact N-O 2.99Å; R232-D238 WeakPolarHBondContact CD-OD1 3.35Å; R232-D238 IonicContact CZ-OD1 3.94Å; R232-D238 IonicContact CZ-OD2 2.76Å; R232-D238 IonicContact NE-OD1 3.99Å; R232-D238 VanDerWaalsContact NH1-CG 3.32Å; R232-D238 IonicContact NH1-OD1 2.96Å; R232-D238 PolarHBondContact NH1-OD1 3.47Å; R232-D238 IonicContact NH1-OD2 3.99Å; R232-D238 PolarHBondContact NH1-OD2 3.3Å
233	L	86.2	Confident	77.4	Confident	63 Å²	63	69 Å²	69	33%	0.33	37%	0.367	S	S	.	.	H	α-helix	trans	-63.8	-45.4	179	-167.3	83.7	0	0	0	112.6	L203 S229 W230	L203-L233 HydrophobicContact CD1-CD1 4.38Å; L203-L233 HydrophobicContact CD2-CD1 3.91Å; S229-L233 PolarHBondContact O-N 3.44Å; W230-L233 HydrophobicContact CE3-CD2 3.96Å; W230-L233 HydrophobicContact CZ3-CD2 3.82Å; W230-L233 PolarHBondContact O-N 3.18Å
234	F	85.9	Confident	78.4	Confident	122 Å²	122	68.7 Å²	68.7	54%	0.535	37%	0.367	S	S	.	.	H	α-helix	trans	-86.8	-29.7	-175	-76.7	-70.6	0	0	0	114.1	W230 F253	W230-F234 HydrophobicContact CE3-CD2 4.43Å; W230-F234 AromaticContact CE3-CE2 3.78Å; W230-F234 HydrophobicContact CE3-CE2 3.78Å; W230-F234 HydrophobicContact CZ3-CE2 4.29Å; W230-F234 VanDerWaalsContact O-CD2 3.25Å; W230-F234 WeakPolarHBondContact O-CD2 3.2Å; W230-F234 PolarHBondContact O-N 3.5Å; W230-F234 VanDerWaalsContact O-N 3.14Å; F234-F253 HydrophobicContact CD2-CD2 4.24Å; F234-F253 HydrophobicContact CD2-CE1 4.42Å; F234-F253 AromaticContact CD2-CE2 3.42Å; F234-F253 HydrophobicContact CD2-CE2 3.42Å; F234-F253 VanDerWaalsContact CD2-CE2 3.42Å; F234-F253 AromaticContact CD2-CZ 3.54Å; F234-F253 HydrophobicContact CD2-CZ 3.54Å; F234-F253 HydrophobicContact CE1-CZ 4.47Å; F234-F253 HydrophobicContact CE2-CD1 4.45Å; F234-F253 HydrophobicContact CE2-CD2 4.33Å; F234-F253 AromaticContact CE2-CE1 3.63Å; F234-F253 HydrophobicContact CE2-CE1 3.63Å; F234-F253 AromaticContact CE2-CE2 3.49Å; F234-F253 HydrophobicContact CE2-CE2 3.49Å; F234-F253 VanDerWaalsContact CE2-CE2 3.49Å; F234-F253 AromaticContact CE2-CZ 3.08Å; F234-F253 HydrophobicContact CE2-CZ 3.08Å; F234-F253 HydrophobicContact CG-CE2 4.29Å; F234-F253 HydrophobicContact CG-CZ 4.42Å; F234-F253 HydrophobicContact CZ-CE1 4.14Å; F234-F253 HydrophobicContact CZ-CE2 4.37Å; F234-F253 AromaticContact CZ-CZ 3.63Å; F234-F253 HydrophobicContact CZ-CZ 3.63Å
235	M	82.1	Confident	78.9	Confident	64 Å²	64	70.5 Å²	70.5	32%	0.315	38%	0.375	S	S	.	.	H	α-helix	trans	-118	-4.8	-173.7	-56.7	-173	71.7	0	0	113.8	S231 K237 D245 V249	S231-M235 WeakPolarHBondContact O-CB 3.24Å; S231-M235 PolarHBondContact O-N 3.07Å; M235-K237 HydrophobicContact CB-CB 4.41Å; M235-K237 PolarHBondContact O-N 3.5Å; M235-K237 VanDerWaalsContact O-N 3.16Å; M235-D245 HydrophobicContact CE-CB 3.86Å; M235-D245 WeakPolarHBondContact CE-OD2 3.45Å; M235-V249 HydrophobicContact SD-CB 4.11Å; M235-V249 HydrophobicContact SD-CG2 3.52Å; M235-V249 VanDerWaalsContact SD-CG2 3.52Å
236	N	80.7	Confident	79.4	Confident	138 Å²	138	65.4 Å²	65.4	74%	0.738	35%	0.348	S	S	*	.	S	Bend	trans	52.9	28.9	-171.1	-104.3	3	0	0	0	113.3	R232	R232-N236 WeakPolarHBondContact O-CA 3.46Å; R232-N236 PolarHBondContact O-N 3.09Å; R232-N236 PolarHBondContact O-OD1 3.34Å
237	K	76.3	Confident	79.6	Confident	71 Å²	71	65.9 Å²	65.9	31%	0.309	35%	0.347	S	S	.	.			trans	-126.2	132.7	178.2	-66.9	179.2	-172.9	179.5	0	110	S231 R232 M235 Y243 D245 A246	S231-K237 CarbonylContact C-O 3.57Å; R232-K237 WeakPolarHBondContact CA-O 3.38Å; R232-K237 PolarHBondContact N-O 2.99Å; M235-K237 HydrophobicContact CB-CB 4.41Å; M235-K237 PolarHBondContact O-N 3.5Å; M235-K237 VanDerWaalsContact O-N 3.16Å; K237-Y243 HydrophobicContact CB-CD2 4.46Å; K237-Y243 HydrophobicContact CB-CG 4.48Å; K237-Y243 HydrophobicContact CD-CD1 3.86Å; K237-Y243 HydrophobicContact CD-CE1 4.35Å; K237-Y243 HydrophobicContact CD-CG 3.98Å; K237-D245 IonicContact NZ-OD1 3.76Å; K237-D245 IonicContact NZ-OD2 2.91Å; K237-D245 PolarHBondContact NZ-OD2 3.09Å; K237-A246 HydrophobicContact CB-CB 4.06Å
238	D	71	Confident	79.9	Confident	62 Å²	62	71 Å²	71	33%	0.332	37%	0.37	S	S	.	.			trans	-72.7	146.7	174.3	-74.2	-38.4	0	0	0	110.8	R232 T240	R232-D238 WeakPolarHBondContact CD-OD1 3.35Å; R232-D238 IonicContact CZ-OD1 3.94Å; R232-D238 IonicContact CZ-OD2 2.76Å; R232-D238 IonicContact NE-OD1 3.99Å; R232-D238 VanDerWaalsContact NH1-CG 3.32Å; R232-D238 IonicContact NH1-OD1 2.96Å; R232-D238 PolarHBondContact NH1-OD1 3.47Å; R232-D238 IonicContact NH1-OD2 3.99Å; R232-D238 PolarHBondContact NH1-OD2 3.3Å; D238-T240 HydrophobicContact CB-CG2 4.31Å; D238-T240 PolarHBondContact O-N 2.98Å
239	P	65.6	Low	80	Confident	62 Å²	62	69.8 Å²	69.8	40%	0.403	37%	0.37	S	S	.	.			trans	-76.7	43.8	178.2	33.3	-34.1	0	0	0	111.4	S231	S231-P239 WeakPolarHBondContact OG-CD 3.15Å
240	T	63.6	Low	80.2	Confident	73 Å²	73	69.4 Å²	69.4	45%	0.448	37%	0.369	S	S	.	.	S	Bend	trans	-76.7	150.5	167	55.1	0	0	0	0	108.3	D238 E242 Y243	D238-T240 HydrophobicContact CB-CG2 4.31Å; D238-T240 PolarHBondContact O-N 2.98Å; T240-E242 PolarHBondContact O-N 3.4Å; T240-Y243 PolarHBondContact O-N 2.95Å; T240-Y243 VanDerWaalsContact O-N 3.07Å
241	G	61.7	Low	80.3	Confident	89 Å²	89	70.8 Å²	70.8	92%	0.918	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-4.8	-174.2	0	0	0	0	0	115.7
242	E	71.4	Confident	80.7	Confident	148 Å²	148	75.4 Å²	75.4	69%	0.692	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-25.8	174.5	-66.3	-177.2	156.1	0	0	113.4	T240 P244	T240-E242 PolarHBondContact O-N 3.4Å; E242-P244 WeakPolarHBondContact O-CD 3.22Å
243	Y	77.3	Confident	81.1	Confident	96 Å²	96	75.5 Å²	75.5	38%	0.376	40%	0.4	S	S	.	.			trans	-120.9	90.7	-175	-59.9	-68.5	0	0	0	111.4	K237 T240 D245 A246 Y247	K237-Y243 HydrophobicContact CB-CD2 4.46Å; K237-Y243 HydrophobicContact CB-CG 4.48Å; K237-Y243 HydrophobicContact CD-CD1 3.86Å; K237-Y243 HydrophobicContact CD-CE1 4.35Å; K237-Y243 HydrophobicContact CD-CG 3.98Å; T240-Y243 PolarHBondContact O-N 2.95Å; T240-Y243 VanDerWaalsContact O-N 3.07Å; Y243-D245 WeakPolarHBondContact CB-OD1 3.49Å; Y243-D245 PolarHBondContact O-N 3.15Å; Y243-A246 PolarHBondContact O-N 3.39Å; Y243-Y247 PolarHBondContact O-N 3.06Å
244	P	81.2	Confident	81.4	Confident	84 Å²	84	72.8 Å²	72.8	55%	0.545	39%	0.385	S	S	.	.	H	α-helix	trans	-61.7	-34.9	-178.5	23.9	-32.6	0	0	0	111.8	E242 A246 Y247 F248	E242-P244 WeakPolarHBondContact O-CD 3.22Å; P244-A246 PolarHBondContact O-N 2.78Å; P244-Y247 PolarHBondContact O-N 2.93Å; P244-F248 HydrophobicContact CB-CE2 4.21Å; P244-F248 WeakPolarHBondContact O-CD2 3.32Å; P244-F248 PolarHBondContact O-N 2.79Å
245	D	85.2	Confident	81.8	Confident	58 Å²	58	68.4 Å²	68.4	31%	0.31	37%	0.367	S	S	.	.	H	α-helix	trans	-58.8	-45.4	175.9	58	-26.7	0	0	0	112.3	M235 K237 Y243 Y247 F248 V249	M235-D245 HydrophobicContact CE-CB 3.86Å; M235-D245 WeakPolarHBondContact CE-OD2 3.45Å; K237-D245 IonicContact NZ-OD1 3.76Å; K237-D245 IonicContact NZ-OD2 2.91Å; K237-D245 PolarHBondContact NZ-OD2 3.09Å; Y243-D245 WeakPolarHBondContact CB-OD1 3.49Å; Y243-D245 PolarHBondContact O-N 3.15Å; D245-Y247 PolarHBondContact O-N 3.33Å; D245-F248 PolarHBondContact O-N 3.23Å; D245-V249 WeakPolarHBondContact O-CG2 3.27Å; D245-V249 PolarHBondContact O-N 3.29Å; D245-V249 VanDerWaalsContact O-N 3.09Å
246	A	84.8	Confident	82.4	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-62.6	-42.2	176	0	0	0	0	0	111.9	S231 K237 Y243 P244 F248 V249 G250	S231-A246 WeakPolarHBondContact CB-O 3.08Å; K237-A246 HydrophobicContact CB-CB 4.06Å; Y243-A246 PolarHBondContact O-N 3.39Å; P244-A246 PolarHBondContact O-N 2.78Å; A246-F248 PolarHBondContact O-N 2.81Å; A246-V249 PolarHBondContact O-N 2.75Å; A246-G250 PolarHBondContact O-N 3.38Å
247	Y	86.2	Confident	83	Confident	82 Å²	82	65.2 Å²	65.2	32%	0.322	35%	0.347	S	S	.	.	H	α-helix	trans	-60.7	-44.9	176.4	-177.4	-91.9	0	0	0	112.2	Y243 P244 D245 V249 G250 Y251 F483	Y243-Y247 PolarHBondContact O-N 3.06Å; P244-Y247 PolarHBondContact O-N 2.93Å; D245-Y247 PolarHBondContact O-N 3.33Å; Y247-V249 PolarHBondContact O-N 2.97Å; Y247-G250 PolarHBondContact O-N 3.45Å; Y247-Y251 WeakPolarHBondContact O-CB 3.42Å; Y247-Y251 PolarHBondContact O-N 3.44Å; Y247-F483 HydrophobicContact CD1-CE1 4.39Å; Y247-F483 HydrophobicContact CD2-CE1 4.13Å; Y247-F483 HydrophobicContact CE1-CD1 4.27Å; Y247-F483 AromaticContact CE1-CE1 3.86Å; Y247-F483 HydrophobicContact CE1-CE1 3.86Å; Y247-F483 HydrophobicContact CE2-CD1 4.31Å; Y247-F483 AromaticContact CE2-CE1 3.58Å; Y247-F483 HydrophobicContact CE2-CE1 3.58Å; Y247-F483 HydrophobicContact CE2-CZ 4.39Å; Y247-F483 AromaticContact CZ-CD1 3.79Å; Y247-F483 AromaticContact CZ-CE1 3.42Å; Y247-F483 VanDerWaalsContact CZ-CE1 3.42Å; Y247-F483 WeakPolarHBondContact OH-CD1 3.45Å
248	F	88.8	Confident	84	Confident	133 Å²	133	61.8 Å²	61.8	58%	0.583	33%	0.332	S	S	*	.	H	α-helix	trans	-63.3	-39.2	177.8	-74.4	-65.6	0	0	0	112.6	P244 D245 A246 Y251 L252	P244-F248 HydrophobicContact CB-CE2 4.21Å; P244-F248 WeakPolarHBondContact O-CD2 3.32Å; P244-F248 PolarHBondContact O-N 2.79Å; D245-F248 PolarHBondContact O-N 3.23Å; A246-F248 PolarHBondContact O-N 2.81Å; F248-Y251 WeakPolarHBondContact O-CB 3.3Å; F248-Y251 PolarHBondContact O-N 3.41Å; F248-L252 WeakPolarHBondContact O-CB 3.47Å; F248-L252 PolarHBondContact O-N 3.25Å
249	V	89.6	Confident	85.2	Confident	37 Å²	37	60.7 Å²	60.7	22%	0.224	33%	0.327	C	S	.	.	H	α-helix	trans	-65.5	-47.1	176.8	171.8	0	0	0	0	110.9	M235 D245 A246 Y247 Y251 L252 F253	M235-V249 HydrophobicContact SD-CB 4.11Å; M235-V249 HydrophobicContact SD-CG2 3.52Å; M235-V249 VanDerWaalsContact SD-CG2 3.52Å; D245-V249 WeakPolarHBondContact O-CG2 3.27Å; D245-V249 PolarHBondContact O-N 3.29Å; D245-V249 VanDerWaalsContact O-N 3.09Å; A246-V249 PolarHBondContact O-N 2.75Å; Y247-V249 PolarHBondContact O-N 2.97Å; V249-Y251 VanDerWaalsContact C-N 3.26Å; V249-Y251 PolarHBondContact O-N 3.1Å; V249-L252 PolarHBondContact O-N 3.37Å; V249-F253 HydrophobicContact CG1-CD2 3.73Å; V249-F253 HydrophobicContact CG1-CE2 3.72Å; V249-F253 VanDerWaalsContact O-CD2 3.32Å; V249-F253 WeakPolarHBondContact O-CD2 3.21Å; V249-F253 PolarHBondContact O-N 2.97Å; V249-F253 VanDerWaalsContact O-N 3.07Å
250	G	89	Confident	86.7	Confident	11 Å²	11	61.8 Å²	61.8	11%	0.113	33%	0.33	C	S	.	.	H	α-helix	trans	-57.3	-41.5	174.5	0	0	0	0	0	112.2	A246 Y247 F253 Y254	A246-G250 PolarHBondContact O-N 3.38Å; Y247-G250 PolarHBondContact O-N 3.45Å; G250-F253 PolarHBondContact O-N 3.35Å; G250-Y254 WeakPolarHBondContact O-CB 3.23Å; G250-Y254 PolarHBondContact O-N 3.37Å
251	Y	91	Very high	88.2	Confident	49 Å²	49	59 Å²	59	19%	0.192	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-43.3	177.2	-174.4	-152.8	0	0	0	112.8	Y247 F248 V249 Y254 I255 I480 F483	Y247-Y251 WeakPolarHBondContact O-CB 3.42Å; Y247-Y251 PolarHBondContact O-N 3.44Å; F248-Y251 WeakPolarHBondContact O-CB 3.3Å; F248-Y251 PolarHBondContact O-N 3.41Å; V249-Y251 VanDerWaalsContact C-N 3.26Å; V249-Y251 PolarHBondContact O-N 3.1Å; Y251-Y254 PolarHBondContact O-N 3.02Å; Y251-I255 HydrophobicContact CD2-CD1 3.92Å; Y251-I255 HydrophobicContact CD2-CG1 4.21Å; Y251-I255 HydrophobicContact CE1-CD1 4.37Å; Y251-I255 HydrophobicContact CE2-CD1 3.51Å; Y251-I255 HydrophobicContact CE2-CG1 3.97Å; Y251-I255 WeakPolarHBondContact O-CG1 3.34Å; Y251-I255 PolarHBondContact O-N 3.33Å; Y251-I255 VanDerWaalsContact O-N 3.16Å; Y251-I480 VanDerWaalsContact OH-CA 3.26Å; Y251-I480 WeakPolarHBondContact OH-CA 3.49Å; Y251-I480 WeakPolarHBondContact OH-CG2 3.46Å; Y251-I480 PolarHBondContact OH-O 3.44Å; Y251-F483 VanDerWaalsContact CB-CE1 3.47Å; Y251-F483 HydrophobicContact CD2-CB 3.44Å; Y251-F483 VanDerWaalsContact CD2-CB 3.44Å; Y251-F483 AromaticContact CD2-CD1 3.3Å; Y251-F483 HydrophobicContact CD2-CD1 3.3Å; Y251-F483 HydrophobicContact CD2-CD2 4.06Å; Y251-F483 HydrophobicContact CD2-CE1 4.01Å; Y251-F483 AromaticContact CD2-CG 3.33Å; Y251-F483 HydrophobicContact CD2-CG 3.33Å; Y251-F483 HydrophobicContact CE2-CB 3.48Å; Y251-F483 VanDerWaalsContact CE2-CB 3.48Å; Y251-F483 HydrophobicContact CE2-CD1 4.03Å; Y251-F483 AromaticContact CE2-CG 3.93Å; Y251-F483 HydrophobicContact CE2-CG 3.93Å; Y251-F483 AromaticContact CG-CD1 3.62Å; Y251-F483 HydrophobicContact CG-CD1 3.62Å; Y251-F483 AromaticContact CG-CE1 3.94Å; Y251-F483 HydrophobicContact CG-CE1 3.94Å; Y251-F483 HydrophobicContact CG-CG 4.12Å
252	L	93	Very high	89.9	Confident	99 Å²	99	54.8 Å²	54.8	52%	0.518	27%	0.268	S	S	.	.	H	α-helix	trans	-62.4	-48.5	178.6	-176.7	67.7	0	0	0	111.5	F248 V249 Y254 I255 I256	F248-L252 WeakPolarHBondContact O-CB 3.47Å; F248-L252 PolarHBondContact O-N 3.25Å; V249-L252 PolarHBondContact O-N 3.37Å; L252-Y254 VanDerWaalsContact C-N 3.33Å; L252-Y254 PolarHBondContact O-N 3.35Å; L252-I255 PolarHBondContact O-N 3.27Å; L252-I256 HydrophobicContact CD1-CD1 4.25Å; L252-I256 HydrophobicContact CD2-CD1 4.45Å; L252-I256 HydrophobicContact CG-CD1 3.87Å; L252-I256 WeakPolarHBondContact O-CG1 3.49Å; L252-I256 PolarHBondContact O-N 3.38Å
253	F	92	Very high	91.1	Very high	44 Å²	44	51.4 Å²	51.4	19%	0.193	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-40.2	178.8	-83.3	-75.3	0	0	0	112.1	W230 F234 V249 G250 I255 I256 Y257	W230-F253 HydrophobicContact CB-CB 3.87Å; W230-F253 HydrophobicContact CB-CD2 3.95Å; W230-F253 HydrophobicContact CB-CG 3.93Å; W230-F253 HydrophobicContact CD2-CD1 4.47Å; W230-F253 HydrophobicContact CD2-CG 4.49Å; W230-F253 HydrophobicContact CG-CB 3.87Å; W230-F253 HydrophobicContact CG-CG 4.08Å; F234-F253 HydrophobicContact CD2-CD2 4.24Å; F234-F253 HydrophobicContact CD2-CE1 4.42Å; F234-F253 AromaticContact CD2-CE2 3.42Å; F234-F253 HydrophobicContact CD2-CE2 3.42Å; F234-F253 VanDerWaalsContact CD2-CE2 3.42Å; F234-F253 AromaticContact CD2-CZ 3.54Å; F234-F253 HydrophobicContact CD2-CZ 3.54Å; F234-F253 HydrophobicContact CE1-CZ 4.47Å; F234-F253 HydrophobicContact CE2-CD1 4.45Å; F234-F253 HydrophobicContact CE2-CD2 4.33Å; F234-F253 AromaticContact CE2-CE1 3.63Å; F234-F253 HydrophobicContact CE2-CE1 3.63Å; F234-F253 AromaticContact CE2-CE2 3.49Å; F234-F253 HydrophobicContact CE2-CE2 3.49Å; F234-F253 VanDerWaalsContact CE2-CE2 3.49Å; F234-F253 AromaticContact CE2-CZ 3.08Å; F234-F253 HydrophobicContact CE2-CZ 3.08Å; F234-F253 HydrophobicContact CG-CE2 4.29Å; F234-F253 HydrophobicContact CG-CZ 4.42Å; F234-F253 HydrophobicContact CZ-CE1 4.14Å; F234-F253 HydrophobicContact CZ-CE2 4.37Å; F234-F253 AromaticContact CZ-CZ 3.63Å; F234-F253 HydrophobicContact CZ-CZ 3.63Å; V249-F253 HydrophobicContact CG1-CD2 3.73Å; V249-F253 HydrophobicContact CG1-CE2 3.72Å; V249-F253 VanDerWaalsContact O-CD2 3.32Å; V249-F253 WeakPolarHBondContact O-CD2 3.21Å; V249-F253 PolarHBondContact O-N 2.97Å; V249-F253 VanDerWaalsContact O-N 3.07Å; G250-F253 PolarHBondContact O-N 3.35Å; F253-I255 VanDerWaalsContact C-N 3.32Å; F253-I255 PolarHBondContact O-N 3.13Å; F253-I256 PolarHBondContact O-N 3.49Å; F253-Y257 HydrophobicContact CD1-CD2 4.5Å; F253-Y257 HydrophobicContact CD1-CE2 4.03Å; F253-Y257 WeakPolarHBondContact O-CD2 3.47Å; F253-Y257 PolarHBondContact O-N 3.14Å
254	Y	92.4	Very high	92	Very high	7 Å²	7	49.5 Å²	49.5	3%	0.027	25%	0.253	C	S	.	.	H	α-helix	trans	-56.8	-44.8	175.4	-177.2	-89.9	0	0	0	112.1	K198 G250 Y251 L252 A258 A479 F483 R489	K198-Y254 HydrophobicContact CB-CD2 4Å; K198-Y254 HydrophobicContact CB-CE2 4.26Å; K198-Y254 VanDerWaalsContact NZ-CZ 3.26Å; K198-Y254 PolarHBondContact NZ-OH 3.34Å; G250-Y254 WeakPolarHBondContact O-CB 3.23Å; G250-Y254 PolarHBondContact O-N 3.37Å; Y251-Y254 PolarHBondContact O-N 3.02Å; L252-Y254 VanDerWaalsContact C-N 3.33Å; L252-Y254 PolarHBondContact O-N 3.35Å; Y254-A258 VanDerWaalsContact O-CB 3.25Å; Y254-A258 WeakPolarHBondContact O-CB 3.4Å; Y254-A258 PolarHBondContact O-N 2.94Å; Y254-A258 VanDerWaalsContact O-N 3.1Å; Y254-A479 HydrophobicContact CD1-CB 4.29Å; Y254-A479 HydrophobicContact CE1-CB 4.09Å; Y254-F483 HydrophobicContact CD1-CB 4.14Å; Y254-F483 AromaticContact CD1-CD2 3.87Å; Y254-F483 HydrophobicContact CD1-CD2 3.87Å; Y254-F483 HydrophobicContact CD1-CG 4.45Å; Y254-F483 AromaticContact CD2-CD2 3.98Å; Y254-F483 HydrophobicContact CD2-CD2 3.98Å; Y254-F483 HydrophobicContact CD2-CE2 4.43Å; Y254-F483 HydrophobicContact CE1-CB 4.34Å; Y254-F483 HydrophobicContact CE1-CD2 4.49Å; Y254-F483 AromaticContact CG-CD2 3.59Å; Y254-F483 HydrophobicContact CG-CD2 3.59Å; Y254-F483 HydrophobicContact CG-CE2 4.18Å; Y254-R489 HydrophobicContact CE2-CG 4.3Å
255	I	94.5	Very high	92.7	Very high	29 Å²	29	45.5 Å²	45.5	15%	0.149	23%	0.227	C	C	.	.	H	α-helix	trans	-66.3	-45.6	176.7	-67.1	169.8	0	0	0	111.2	Y251 L252 F253 A258 V259 L476 A479 I480	Y251-I255 HydrophobicContact CD2-CD1 3.92Å; Y251-I255 HydrophobicContact CD2-CG1 4.21Å; Y251-I255 HydrophobicContact CE1-CD1 4.37Å; Y251-I255 HydrophobicContact CE2-CD1 3.51Å; Y251-I255 HydrophobicContact CE2-CG1 3.97Å; Y251-I255 WeakPolarHBondContact O-CG1 3.34Å; Y251-I255 PolarHBondContact O-N 3.33Å; Y251-I255 VanDerWaalsContact O-N 3.16Å; L252-I255 PolarHBondContact O-N 3.27Å; F253-I255 VanDerWaalsContact C-N 3.32Å; F253-I255 PolarHBondContact O-N 3.13Å; I255-A258 PolarHBondContact O-N 3.45Å; I255-V259 HydrophobicContact CG2-CG2 4.26Å; I255-V259 WeakPolarHBondContact O-CG2 3.43Å; I255-V259 PolarHBondContact O-N 2.88Å; I255-L476 HydrophobicContact CG2-CD1 3.61Å; I255-A479 HydrophobicContact CG1-CB 4.02Å; I255-I480 HydrophobicContact CD1-CG1 3.95Å
256	I	95.1	Very high	93.2	Very high	86 Å²	86	42.8 Å²	42.8	44%	0.441	21%	0.212	S	C	.	.	H	α-helix	trans	-59.8	-50.6	-177.7	-71.2	169.6	0	0	0	110.7	L252 F253 V259 L260	L252-I256 HydrophobicContact CD1-CD1 4.25Å; L252-I256 HydrophobicContact CD2-CD1 4.45Å; L252-I256 HydrophobicContact CG-CD1 3.87Å; L252-I256 WeakPolarHBondContact O-CG1 3.49Å; L252-I256 PolarHBondContact O-N 3.38Å; F253-I256 PolarHBondContact O-N 3.49Å; I256-V259 PolarHBondContact O-N 2.92Å; I256-L260 VanDerWaalsContact O-CB 3.27Å; I256-L260 WeakPolarHBondContact O-CB 3.28Å; I256-L260 PolarHBondContact O-N 3.4Å
257	Y	94.5	Very high	93.7	Very high	49 Å²	49	48.2 Å²	48.2	19%	0.192	24%	0.236	C	C	.	.	H	α-helix	trans	-64.6	-41.4	179.1	-81.6	-70.3	0	0	0	112.1	W230 F253 V259 L260 F261	W230-Y257 HydrophobicContact CD2-CE2 4.15Å; W230-Y257 AromaticContact CE2-CE2 3.44Å; W230-Y257 VanDerWaalsContact CE2-CE2 3.44Å; W230-Y257 HydrophobicContact CH2-CE2 4.03Å; W230-Y257 AromaticContact CH2-CZ 3.87Å; W230-Y257 WeakPolarHBondContact CH2-OH 3.48Å; W230-Y257 HydrophobicContact CZ2-CD2 4.38Å; W230-Y257 AromaticContact CZ2-CE2 3.37Å; W230-Y257 HydrophobicContact CZ2-CE2 3.37Å; W230-Y257 AromaticContact CZ2-CZ 3.49Å; W230-Y257 VanDerWaalsContact CZ2-CZ 3.49Å; W230-Y257 WeakPolarHBondContact CZ2-OH 3.4Å; W230-Y257 AromaticContact NE1-CD2 4Å; W230-Y257 AromaticContact NE1-CE2 3.7Å; F253-Y257 HydrophobicContact CD1-CD2 4.5Å; F253-Y257 HydrophobicContact CD1-CE2 4.03Å; F253-Y257 WeakPolarHBondContact O-CD2 3.47Å; F253-Y257 PolarHBondContact O-N 3.14Å; Y257-V259 PolarHBondContact O-N 3.48Å; Y257-L260 PolarHBondContact O-N 3.42Å; Y257-F261 AromaticContact CD1-CE1 3.97Å; Y257-F261 HydrophobicContact CD1-CE1 3.97Å; Y257-F261 HydrophobicContact CD1-CE2 4.32Å; Y257-F261 AromaticContact CD1-CZ 3.6Å; Y257-F261 HydrophobicContact CD1-CZ 3.6Å; Y257-F261 HydrophobicContact CE1-CZ 4.41Å; Y257-F261 HydrophobicContact CG-CZ 4.31Å; Y257-F261 WeakPolarHBondContact O-CD2 3.49Å; Y257-F261 VanDerWaalsContact O-CG 3.22Å; Y257-F261 WeakPolarHBondContact O-CG 3.46Å; Y257-F261 PolarHBondContact O-N 2.86Å
258	A	95.4	Very high	94.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-49.8	176.3	0	0	0	0	0	111.9	Y254 I255 A262 A315 T475 A479	Y254-A258 VanDerWaalsContact O-CB 3.25Å; Y254-A258 WeakPolarHBondContact O-CB 3.4Å; Y254-A258 PolarHBondContact O-N 2.94Å; Y254-A258 VanDerWaalsContact O-N 3.1Å; I255-A258 PolarHBondContact O-N 3.45Å; A258-A262 WeakPolarHBondContact O-CB 3.38Å; A258-A262 PolarHBondContact O-N 3.45Å; A258-A262 VanDerWaalsContact O-N 3.1Å; A258-A315 VanDerWaalsContact CB-O 3.28Å; A258-A315 WeakPolarHBondContact CB-O 3.41Å; A258-T475 HydrophobicContact CB-CG2 4.16Å; A258-T475 WeakPolarHBondContact O-CG2 3.43Å; A258-A479 HydrophobicContact CB-CB 4.02Å
259	V	96.5	Very high	94.4	Very high	38 Å²	38	39.8 Å²	39.8	23%	0.23	20%	0.202	C	C	.	.	H	α-helix	trans	-67.1	-39.3	179.7	175.4	0	0	0	0	111.3	I255 I256 Y257 A262 L263 L472 L476	I255-V259 HydrophobicContact CG2-CG2 4.26Å; I255-V259 WeakPolarHBondContact O-CG2 3.43Å; I255-V259 PolarHBondContact O-N 2.88Å; I256-V259 PolarHBondContact O-N 2.92Å; Y257-V259 PolarHBondContact O-N 3.48Å; V259-A262 PolarHBondContact O-N 3.08Å; V259-L263 VanDerWaalsContact O-CB 3.31Å; V259-L263 WeakPolarHBondContact O-CB 3.31Å; V259-L263 PolarHBondContact O-N 3.07Å; V259-L472 HydrophobicContact CG1-CD2 3.83Å; V259-L476 HydrophobicContact CG2-CB 4.37Å; V259-L476 HydrophobicContact CG2-CD1 4.28Å
260	L	96.7	Very high	94.6	Very high	85 Å²	85	44.5 Å²	44.5	45%	0.445	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-50.2	177.3	-179.9	66.8	0	0	0	111.6	I256 Y257 A262 L263 V264	I256-L260 VanDerWaalsContact O-CB 3.27Å; I256-L260 WeakPolarHBondContact O-CB 3.28Å; I256-L260 PolarHBondContact O-N 3.4Å; Y257-L260 PolarHBondContact O-N 3.42Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 3.09Å; L260-L263 WeakPolarHBondContact O-CB 3.35Å; L260-L263 PolarHBondContact O-N 3.42Å; L260-V264 WeakPolarHBondContact O-CG2 3.33Å; L260-V264 PolarHBondContact O-N 3.32Å
261	F	96.5	Very high	94.8	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.066	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-41.2	179.7	-61.7	-23.2	0	0	0	111.8	M194 L197 K198 Y257 L263 V264 C265 L311 A315	M194-F261 HydrophobicContact CG-CD2 3.91Å; M194-F261 HydrophobicContact CG-CE2 3.76Å; M194-F261 HydrophobicContact CG-CG 4.41Å; M194-F261 HydrophobicContact CG-CZ 4.15Å; M194-F261 HydrophobicContact SD-CD1 4.02Å; M194-F261 HydrophobicContact SD-CD2 4.07Å; M194-F261 HydrophobicContact SD-CE1 3.55Å; M194-F261 VanDerWaalsContact SD-CE1 3.55Å; M194-F261 HydrophobicContact SD-CE2 3.57Å; M194-F261 VanDerWaalsContact SD-CE2 3.57Å; M194-F261 HydrophobicContact SD-CG 4.29Å; M194-F261 HydrophobicContact SD-CZ 3.31Å; M194-F261 WeakPolarHBondContact SD-CZ 3.31Å; L197-F261 HydrophobicContact CD2-CZ 3.91Å; L197-F261 HydrophobicContact CG-CZ 4.42Å; K198-F261 HydrophobicContact CG-CD2 4.41Å; K198-F261 HydrophobicContact CG-CE2 3.97Å; Y257-F261 AromaticContact CD1-CE1 3.97Å; Y257-F261 HydrophobicContact CD1-CE1 3.97Å; Y257-F261 HydrophobicContact CD1-CE2 4.32Å; Y257-F261 AromaticContact CD1-CZ 3.6Å; Y257-F261 HydrophobicContact CD1-CZ 3.6Å; Y257-F261 HydrophobicContact CE1-CZ 4.41Å; Y257-F261 HydrophobicContact CG-CZ 4.31Å; Y257-F261 WeakPolarHBondContact O-CD2 3.49Å; Y257-F261 VanDerWaalsContact O-CG 3.22Å; Y257-F261 WeakPolarHBondContact O-CG 3.46Å; Y257-F261 PolarHBondContact O-N 2.86Å; F261-L263 VanDerWaalsContact C-N 3.35Å; F261-L263 PolarHBondContact O-N 3.38Å; F261-V264 PolarHBondContact O-N 3.47Å; F261-C265 VanDerWaalsContact O-CB 3.27Å; F261-C265 WeakPolarHBondContact O-CB 3.4Å; F261-C265 PolarHBondContact O-N 2.71Å; F261-L311 HydrophobicContact CB-CD2 4.46Å; F261-L311 HydrophobicContact CD1-CD2 4.35Å; F261-A315 HydrophobicContact CB-CB 4.06Å
262	A	96.2	Very high	94.9	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-38.8	175	0	0	0	0	0	112.5	A258 V259 L260 C265 V266 A315 V471 T475	A258-A262 WeakPolarHBondContact O-CB 3.38Å; A258-A262 PolarHBondContact O-N 3.45Å; A258-A262 VanDerWaalsContact O-N 3.1Å; V259-A262 PolarHBondContact O-N 3.08Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 3.09Å; A262-C265 PolarHBondContact O-N 2.78Å; A262-V266 WeakPolarHBondContact O-CG1 3.45Å; A262-V266 PolarHBondContact O-N 2.83Å; A262-A315 HydrophobicContact CB-CB 4.13Å; A262-V471 HydrophobicContact CB-CG1 4.1Å; A262-T475 HydrophobicContact CB-CG2 3.7Å; A262-T475 VanDerWaalsContact CB-OG1 3.26Å; A262-T475 WeakPolarHBondContact CB-OG1 3.4Å
263	L	96.4	Very high	94.8	Very high	77 Å²	77	47.2 Å²	47.2	40%	0.403	23%	0.225	S	C	.	.	H	α-helix	trans	-62.2	-49.4	176.6	-173.1	136.5	0	0	0	111.6	V259 L260 F261 C265 V266 F267 L472	V259-L263 VanDerWaalsContact O-CB 3.31Å; V259-L263 WeakPolarHBondContact O-CB 3.31Å; V259-L263 PolarHBondContact O-N 3.07Å; L260-L263 WeakPolarHBondContact O-CB 3.35Å; L260-L263 PolarHBondContact O-N 3.42Å; F261-L263 VanDerWaalsContact C-N 3.35Å; F261-L263 PolarHBondContact O-N 3.38Å; L263-C265 VanDerWaalsContact C-N 3.32Å; L263-C265 PolarHBondContact O-N 3.24Å; L263-V266 WeakPolarHBondContact O-CG1 3.28Å; L263-F267 VanDerWaalsContact O-CB 3.28Å; L263-F267 WeakPolarHBondContact O-CB 3.31Å; L263-F267 PolarHBondContact O-N 3.46Å; L263-F267 VanDerWaalsContact O-N 3.09Å; L263-L472 HydrophobicContact CB-CD2 3.72Å; L263-L472 HydrophobicContact CD1-CD1 4.11Å; L263-L472 HydrophobicContact CD1-CD2 3.98Å; L263-L472 HydrophobicContact CG-CD2 4.26Å
264	V	96.6	Very high	94.8	Very high	56 Å²	56	49.1 Å²	49.1	34%	0.339	24%	0.242	S	C	.	.	H	α-helix	trans	-62.7	-42.9	178.2	178.3	0	0	0	0	110.1	L260 F261 F267 L268 L311	L260-V264 WeakPolarHBondContact O-CG2 3.33Å; L260-V264 PolarHBondContact O-N 3.32Å; F261-V264 PolarHBondContact O-N 3.47Å; V264-F267 PolarHBondContact O-N 2.89Å; V264-L268 HydrophobicContact CG1-CD1 4.04Å; V264-L268 HydrophobicContact CG1-CG 4.4Å; V264-L268 WeakPolarHBondContact O-CG 3.21Å; V264-L268 PolarHBondContact O-N 3.36Å; V264-L311 HydrophobicContact CB-CD1 4.17Å; V264-L311 HydrophobicContact CG1-CD1 3.67Å
265	C	96.3	Very high	94.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-53.1	179.4	-174.5	0	0	0	0	112.6	F261 A262 L263 F267 L268 V269 G308 L311	F261-C265 VanDerWaalsContact O-CB 3.27Å; F261-C265 WeakPolarHBondContact O-CB 3.4Å; F261-C265 PolarHBondContact O-N 2.71Å; A262-C265 PolarHBondContact O-N 2.78Å; L263-C265 VanDerWaalsContact C-N 3.32Å; L263-C265 PolarHBondContact O-N 3.24Å; C265-F267 VanDerWaalsContact C-N 3.27Å; C265-F267 PolarHBondContact O-N 3.45Å; C265-L268 PolarHBondContact O-N 2.88Å; C265-V269 VanDerWaalsContact O-CG2 3.31Å; C265-V269 WeakPolarHBondContact O-CG2 3.35Å; C265-V269 PolarHBondContact O-N 3.2Å; C265-G308 VanDerWaalsContact SG-CA 3.56Å; C265-G308 PolarHBondContact SG-O 2.68Å; C265-L311 HydrophobicContact CB-CB 3.8Å; C265-L311 HydrophobicContact CB-CD1 4.37Å
266	V	95.3	Very high	94.6	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-65.8	-32.5	-178.5	70.2	0	0	0	0	112.1	A262 L263 R270 V468 V471 V561	A262-V266 WeakPolarHBondContact O-CG1 3.45Å; A262-V266 PolarHBondContact O-N 2.83Å; L263-V266 WeakPolarHBondContact O-CG1 3.28Å; V266-R270 WeakPolarHBondContact O-CB 3.48Å; V266-R270 PolarHBondContact O-N 2.91Å; V266-V468 HydrophobicContact CG1-CB 4.33Å; V266-V468 HydrophobicContact CG1-CG1 3.9Å; V266-V468 HydrophobicContact CG1-CG2 4.24Å; V266-V468 HydrophobicContact CG2-CG2 4.14Å; V266-V471 HydrophobicContact CB-CB 4.32Å; V266-V471 HydrophobicContact CB-CG1 4.19Å; V266-V471 HydrophobicContact CB-CG2 4.29Å; V266-V471 HydrophobicContact CG1-CG1 4.44Å; V266-V471 HydrophobicContact CG2-CB 4.29Å; V266-V471 HydrophobicContact CG2-CG2 3.89Å; V266-V561 HydrophobicContact CB-CG2 4.44Å
267	F	95.5	Very high	94.5	Very high	113 Å²	113	49.7 Å²	49.7	50%	0.496	24%	0.243	S	C	.	.	H	α-helix	trans	-66.9	-45.9	176.7	-169.6	-114.3	0	0	0	111.5	L263 V264 C265 R270 M271	L263-F267 VanDerWaalsContact O-CB 3.28Å; L263-F267 WeakPolarHBondContact O-CB 3.31Å; L263-F267 PolarHBondContact O-N 3.46Å; L263-F267 VanDerWaalsContact O-N 3.09Å; V264-F267 PolarHBondContact O-N 2.89Å; C265-F267 VanDerWaalsContact C-N 3.27Å; C265-F267 PolarHBondContact O-N 3.45Å; F267-R270 PolarHBondContact O-N 3.47Å; F267-M271 HydrophobicContact CD1-CE 3.39Å; F267-M271 HydrophobicContact CD1-SD 4.17Å; F267-M271 HydrophobicContact CD2-CE 4.31Å; F267-M271 HydrophobicContact CD2-CG 4.23Å; F267-M271 HydrophobicContact CD2-SD 4.03Å; F267-M271 HydrophobicContact CE1-CE 2.96Å; F267-M271 HydrophobicContact CE1-SD 3.59Å; F267-M271 VanDerWaalsContact CE1-SD 3.59Å; F267-M271 HydrophobicContact CE2-CE 3.96Å; F267-M271 HydrophobicContact CE2-CG 4.11Å; F267-M271 HydrophobicContact CE2-SD 3.39Å; F267-M271 WeakPolarHBondContact CE2-SD 3.34Å; F267-M271 HydrophobicContact CG-CE 4.07Å; F267-M271 HydrophobicContact CG-SD 4.38Å; F267-M271 HydrophobicContact CZ-CE 3.29Å; F267-M271 HydrophobicContact CZ-CG 4.35Å; F267-M271 HydrophobicContact CZ-SD 3.15Å; F267-M271 WeakPolarHBondContact CZ-SD 3.45Å; F267-M271 WeakPolarHBondContact O-CB 3.42Å; F267-M271 WeakPolarHBondContact O-CG 3.28Å; F267-M271 PolarHBondContact O-N 3.3Å
268	L	95.4	Very high	94.4	Very high	35 Å²	35	48.1 Å²	48.1	18%	0.183	24%	0.242	C	C	.	.	H	α-helix	trans	-59.2	-48.6	175.6	-74.3	174.1	0	0	0	112	V264 C265 F272 I304 V307 L311	V264-L268 HydrophobicContact CG1-CD1 4.04Å; V264-L268 HydrophobicContact CG1-CG 4.4Å; V264-L268 WeakPolarHBondContact O-CG 3.21Å; V264-L268 PolarHBondContact O-N 3.36Å; C265-L268 PolarHBondContact O-N 2.88Å; L268-F272 HydrophobicContact CD2-CD2 3.9Å; L268-F272 HydrophobicContact CD2-CE2 3.89Å; L268-F272 PolarHBondContact O-N 2.91Å; L268-I304 HydrophobicContact CB-CG2 4.32Å; L268-I304 HydrophobicContact CD2-CD1 4.46Å; L268-V307 HydrophobicContact CD1-CG1 3.88Å; L268-L311 HydrophobicContact CD1-CD1 3.93Å
269	V	95	Very high	94.3	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-62.6	-45.7	179.6	174.5	0	0	0	0	110.9	C265 A273 P274 A276 C277 I304 P562	C265-V269 VanDerWaalsContact O-CG2 3.31Å; C265-V269 WeakPolarHBondContact O-CG2 3.35Å; C265-V269 PolarHBondContact O-N 3.2Å; V269-A273 CarbonylContact O-C 3.44Å; V269-A273 PolarHBondContact O-N 3.49Å; V269-A273 VanDerWaalsContact O-O 3.05Å; V269-P274 WeakPolarHBondContact O-CA 3.41Å; V269-P274 VanDerWaalsContact O-N 3.15Å; V269-A276 HydrophobicContact CG1-CB 4.43Å; V269-C277 HydrophobicContact CG1-CB 4.34Å; V269-I304 HydrophobicContact CG2-CG2 4.28Å; V269-P562 HydrophobicContact CG2-CG 4.15Å
270	R	93	Very high	94.1	Very high	136 Å²	136	46.6 Å²	46.6	51%	0.513	23%	0.233	S	C	.	.	H	α-helix	trans	-69.8	-38.6	-175.7	-174.2	-177.6	170.4	102.4	0.8	112.8	V266 F267	V266-R270 WeakPolarHBondContact O-CB 3.48Å; V266-R270 PolarHBondContact O-N 2.91Å; F267-R270 PolarHBondContact O-N 3.47Å
271	M	92.8	Very high	93.9	Very high	96 Å²	96	42.9 Å²	42.9	47%	0.473	21%	0.213	S	C	.	.	H	α-helix	trans	-84.8	-42.7	-174.7	-68	-159.3	-48.4	0	0	113.6	F267	F267-M271 HydrophobicContact CD1-CE 3.39Å; F267-M271 HydrophobicContact CD1-SD 4.17Å; F267-M271 HydrophobicContact CD2-CE 4.31Å; F267-M271 HydrophobicContact CD2-CG 4.23Å; F267-M271 HydrophobicContact CD2-SD 4.03Å; F267-M271 HydrophobicContact CE1-CE 2.96Å; F267-M271 HydrophobicContact CE1-SD 3.59Å; F267-M271 VanDerWaalsContact CE1-SD 3.59Å; F267-M271 HydrophobicContact CE2-CE 3.96Å; F267-M271 HydrophobicContact CE2-CG 4.11Å; F267-M271 HydrophobicContact CE2-SD 3.39Å; F267-M271 WeakPolarHBondContact CE2-SD 3.34Å; F267-M271 HydrophobicContact CG-CE 4.07Å; F267-M271 HydrophobicContact CG-SD 4.38Å; F267-M271 HydrophobicContact CZ-CE 3.29Å; F267-M271 HydrophobicContact CZ-CG 4.35Å; F267-M271 HydrophobicContact CZ-SD 3.15Å; F267-M271 WeakPolarHBondContact CZ-SD 3.45Å; F267-M271 WeakPolarHBondContact O-CB 3.42Å; F267-M271 WeakPolarHBondContact O-CG 3.28Å; F267-M271 PolarHBondContact O-N 3.3Å
272	F	93.6	Very high	93.7	Very high	118 Å²	118	42.5 Å²	42.5	52%	0.518	21%	0.212	S	C	.	.	H	α-helix	trans	-99.9	-37.2	-169.8	-65.6	-74.7	0	0	0	113.4	L268 I304	L268-F272 HydrophobicContact CD2-CD2 3.9Å; L268-F272 HydrophobicContact CD2-CE2 3.89Å; L268-F272 PolarHBondContact O-N 2.91Å; F272-I304 HydrophobicContact CB-CD1 3.71Å; F272-I304 HydrophobicContact CB-CG1 3.81Å; F272-I304 HydrophobicContact CD2-CD1 4.19Å; F272-I304 HydrophobicContact CG-CD1 4.16Å
273	A	92.2	Very high	93.5	Very high	3 Å²	3	43.6 Å²	43.6	3%	0.025	22%	0.217	C	C	.	.			trans	-152.4	82.6	-173.6	0	0	0	0	0	112.4	V269 Y275 A276 T301 I304	V269-A273 CarbonylContact O-C 3.44Å; V269-A273 PolarHBondContact O-N 3.49Å; V269-A273 VanDerWaalsContact O-O 3.05Å; A273-Y275 PolarHBondContact O-N 3.18Å; A273-Y275 VanDerWaalsContact O-N 3.15Å; A273-A276 HydrophobicContact CB-CB 4.23Å; A273-A276 WeakPolarHBondContact O-CB 3.36Å; A273-A276 PolarHBondContact O-N 3.27Å; A273-T301 HydrophobicContact CB-CG2 4.22Å; A273-I304 HydrophobicContact CB-CB 3.83Å; A273-I304 HydrophobicContact CB-CG1 3.92Å; A273-I304 HydrophobicContact CB-CG2 4.03Å
274	P	91.3	Very high	93.4	Very high	83 Å²	83	40.3 Å²	40.3	54%	0.539	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-62	-26.5	-178.3	23.7	-33.8	0	0	0	113.3	V269 A276 C277	V269-P274 WeakPolarHBondContact O-CA 3.41Å; V269-P274 VanDerWaalsContact O-N 3.15Å; P274-A276 PolarHBondContact O-N 3.42Å; P274-C277 WeakPolarHBondContact O-CB 3.25Å; P274-C277 PolarHBondContact O-N 3.3Å
275	Y	91	Very high	93.1	Very high	92 Å²	92	38 Å²	38	36%	0.361	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-68.4	-10.6	173.8	-64.3	-63	0	0	0	114.1	A273 C277 I293 Y296	A273-Y275 PolarHBondContact O-N 3.18Å; A273-Y275 VanDerWaalsContact O-N 3.15Å; Y275-C277 PolarHBondContact O-N 2.83Å; Y275-I293 HydrophobicContact CE1-CG2 4.35Å; Y275-Y296 AromaticContact CD1-CD2 3.67Å; Y275-Y296 HydrophobicContact CD1-CD2 3.67Å; Y275-Y296 HydrophobicContact CD1-CE2 4.25Å; Y275-Y296 AromaticContact CG-CD2 3.94Å; Y275-Y296 HydrophobicContact CG-CD2 3.94Å
276	A	92	Very high	92.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-73.6	-12.2	175.1	0	0	0	0	0	113.1	V269 A273 P274 I304 K305	V269-A276 HydrophobicContact CG1-CB 4.43Å; A273-A276 HydrophobicContact CB-CB 4.23Å; A273-A276 WeakPolarHBondContact O-CB 3.36Å; A273-A276 PolarHBondContact O-N 3.27Å; P274-A276 PolarHBondContact O-N 3.42Å; A276-I304 HydrophobicContact CB-CG2 4.2Å; A276-K305 HydrophobicContact CB-CB 3.94Å; A276-K305 HydrophobicContact CB-CG 4.3Å; A276-K305 PolarHBondContact O-NZ 2.87Å
277	C	92.5	Very high	92.6	Very high	42 Å²	42	38.7 Å²	38.7	28%	0.284	19%	0.189	S	C	.	.	S	Bend	trans	-57.6	146.2	175.5	166.9	0	0	0	0	113	V269 P274 Y275	V269-C277 HydrophobicContact CG1-CB 4.34Å; P274-C277 WeakPolarHBondContact O-CB 3.25Å; P274-C277 PolarHBondContact O-N 3.3Å; Y275-C277 PolarHBondContact O-N 2.83Å
278	G	92.2	Very high	92.3	Very high	16 Å²	16	33.4 Å²	33.4	17%	0.165	17%	0.166	C	C	.	.	S	Bend	trans	73.4	-168.4	171.7	0	0	0	0	0	114.8	K305 V561 T563	G278-K305 PolarHBondContact O-NZ 3.22Å; G278-V561 PolarHBondContact N-O 2.89Å; G278-T563 CarbonylContact C-O 3.52Å; G278-T563 PolarHBondContact O-N 3.5Å
279	S	92.3	Very high	91.7	Very high	6 Å²	6	32.1 Å²	32.1	4%	0.042	16%	0.161	C	C	.	.			trans	-73.2	-50.1	-178.6	179	0	0	0	0	111.2	G323 P324 T563	S279-G323 WeakPolarHBondContact OG-CA 3.48Å; S279-P324 WeakPolarHBondContact O-CA 3.3Å; S279-T563 WeakPolarHBondContact CA-O 3.47Å; S279-T563 VanDerWaalsContact CB-O 3.3Å; S279-T563 WeakPolarHBondContact CB-O 3.44Å; S279-T563 PolarHBondContact N-O 3.08Å
280	G	92.7	Very high	91.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.			trans	95.4	-8.4	-178.8	0	0	0	0	0	115.5	E283 I284 Y296	G280-E283 VanDerWaalsContact CA-OE2 3.31Å; G280-E283 WeakPolarHBondContact CA-OE2 3.43Å; G280-E283 PolarHBondContact O-N 3.47Å; G280-I284 WeakPolarHBondContact O-CD1 3.44Å; G280-I284 WeakPolarHBondContact O-CG1 3.27Å; G280-I284 PolarHBondContact O-N 2.94Å; G280-Y296 WeakPolarHBondContact CA-OH 3.48Å
281	I	93.4	Very high	90.7	Very high	7 Å²	7	26 Å²	26	4%	0.036	14%	0.139	C	C	.	.	H	α-helix	trans	-60	-46.1	172.8	-64.3	170.1	0	0	0	112.5	E283 I284 K285 V326 F375 F566 Y669	I281-E283 VanDerWaalsContact C-N 3.29Å; I281-E283 PolarHBondContact O-N 3.01Å; I281-I284 PolarHBondContact O-N 2.88Å; I281-K285 VanDerWaalsContact O-CB 3.3Å; I281-K285 WeakPolarHBondContact O-CB 3.48Å; I281-K285 PolarHBondContact O-N 3Å; I281-V326 HydrophobicContact CD1-CG2 4.44Å; I281-V326 HydrophobicContact CG1-CB 4.35Å; I281-F375 HydrophobicContact CD1-CZ 4.3Å; I281-F566 HydrophobicContact CD1-CE2 3.51Å; I281-F566 HydrophobicContact CD1-CZ 3.99Å; I281-Y669 HydrophobicContact CB-CD1 4.32Å; I281-Y669 HydrophobicContact CB-CE1 4.2Å; I281-Y669 HydrophobicContact CD1-CE1 4.34Å; I281-Y669 HydrophobicContact CD1-CE2 4.39Å; I281-Y669 HydrophobicContact CG2-CD1 4.33Å; I281-Y669 HydrophobicContact CG2-CD2 4.12Å; I281-Y669 HydrophobicContact CG2-CE1 4.44Å; I281-Y669 HydrophobicContact CG2-CE2 4.24Å; I281-Y669 HydrophobicContact CG2-CG 4.16Å
282	P	92.2	Very high	90.4	Very high	8 Å²	8	22.3 Å²	22.3	5%	0.052	12%	0.121	C	C	.	.	H	α-helix	trans	-52.6	-47.7	176.2	-29.2	37.7	0	0	0	112.5	K285 T286 Y669 H672 I673	P282-K285 WeakPolarHBondContact O-CB 3.41Å; P282-K285 PolarHBondContact O-N 2.84Å; P282-T286 WeakPolarHBondContact O-CG2 3.29Å; P282-T286 PolarHBondContact O-N 3.29Å; P282-Y669 HydrophobicContact CG-CD1 3.81Å; P282-Y669 HydrophobicContact CG-CG 4.47Å; P282-H672 HydrophobicContact CG-CB 4.25Å; P282-I673 HydrophobicContact CB-CD1 4.44Å; P282-I673 HydrophobicContact CB-CG1 3.76Å
283	E	92.7	Very high	90.1	Very high	24 Å²	24	17.2 Å²	17.2	11%	0.112	10%	0.099	C	C	.	.	H	α-helix	trans	-69.8	-41.7	-178.2	-66.1	75.6	-165.9	0	0	111.6	G280 I281 K285 T286 I287 I293 Y296 Y678	G280-E283 VanDerWaalsContact CA-OE2 3.31Å; G280-E283 WeakPolarHBondContact CA-OE2 3.43Å; G280-E283 PolarHBondContact O-N 3.47Å; I281-E283 VanDerWaalsContact C-N 3.29Å; I281-E283 PolarHBondContact O-N 3.01Å; E283-K285 VanDerWaalsContact C-N 3.28Å; E283-K285 PolarHBondContact O-N 3.11Å; E283-T286 WeakPolarHBondContact CA-OG1 3.37Å; E283-T286 PolarHBondContact O-N 3.03Å; E283-T286 VanDerWaalsContact O-N 3.1Å; E283-T286 PolarHBondContact O-OG1 3.08Å; E283-I287 VanDerWaalsContact O-CG1 3.32Å; E283-I287 WeakPolarHBondContact O-CG1 3.43Å; E283-I287 PolarHBondContact O-N 3.29Å; E283-I293 HydrophobicContact CB-CD1 4.39Å; E283-I293 HydrophobicContact CG-CD1 4.49Å; E283-Y296 HydrophobicContact CB-CD1 4.09Å; E283-Y296 HydrophobicContact CB-CE1 3.36Å; E283-Y296 HydrophobicContact CB-CE2 3.91Å; E283-Y296 WeakPolarHBondContact CB-OH 3.25Å; E283-Y296 HydrophobicContact CG-CD2 4.49Å; E283-Y296 HydrophobicContact CG-CE1 4.14Å; E283-Y296 HydrophobicContact CG-CE2 3.73Å; E283-Y296 WeakPolarHBondContact CG-OH 3.45Å; E283-Y296 PolarHBondContact OE2-OH 2.99Å; E283-Y678 HydrophobicContact CG-CE2 3.98Å
284	I	93.1	Very high	89.7	Confident	8 Å²	8	22.2 Å²	22.2	4%	0.041	12%	0.118	C	C	.	.	H	α-helix	trans	-59.8	-42.4	173.9	-67.1	161.2	0	0	0	110.7	G280 I281 T286 I287 L288 V326 H327 A330	G280-I284 WeakPolarHBondContact O-CD1 3.44Å; G280-I284 WeakPolarHBondContact O-CG1 3.27Å; G280-I284 PolarHBondContact O-N 2.94Å; I281-I284 PolarHBondContact O-N 2.88Å; I284-T286 VanDerWaalsContact C-N 3.28Å; I284-T286 PolarHBondContact O-N 2.95Å; I284-I287 PolarHBondContact O-N 3.22Å; I284-I287 VanDerWaalsContact O-N 3.14Å; I284-L288 HydrophobicContact CG2-CD1 3.79Å; I284-L288 HydrophobicContact CG2-CG 4.23Å; I284-L288 WeakPolarHBondContact O-CB 3.39Å; I284-L288 WeakPolarHBondContact O-CG 3.47Å; I284-L288 PolarHBondContact O-N 2.89Å; I284-V326 HydrophobicContact CD1-CG1 4.28Å; I284-H327 VanDerWaalsContact CD1-CA 3.45Å; I284-H327 HydrophobicContact CD1-CB 3.77Å; I284-A330 HydrophobicContact CD1-CB 4.09Å; I284-A330 HydrophobicContact CG1-CB 4.34Å
285	K	91.5	Very high	89.4	Confident	6 Å²	6	20.7 Å²	20.7	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-60.6	-38.4	176.1	-170.9	168.3	-178.2	174.8	0	110.8	I281 P282 E283 G289 E379 E670 I673 Y680	I281-K285 VanDerWaalsContact O-CB 3.3Å; I281-K285 WeakPolarHBondContact O-CB 3.48Å; I281-K285 PolarHBondContact O-N 3Å; P282-K285 WeakPolarHBondContact O-CB 3.41Å; P282-K285 PolarHBondContact O-N 2.84Å; E283-K285 VanDerWaalsContact C-N 3.28Å; E283-K285 PolarHBondContact O-N 3.11Å; K285-G289 PolarHBondContact O-N 2.93Å; K285-E379 WeakPolarHBondContact CD-O 3.5Å; K285-E379 VanDerWaalsContact CE-O 3.25Å; K285-E379 WeakPolarHBondContact CE-O 3.2Å; K285-E379 IonicContact NZ-OE1 3.6Å; K285-E379 PolarHBondContact NZ-OE1 3.15Å; K285-E379 IonicContact NZ-OE2 3.85Å; K285-E379 PolarHBondContact NZ-OE2 3.24Å; K285-E670 IonicContact NZ-OE1 3.99Å; K285-E670 PolarHBondContact NZ-OE1 2.98Å; K285-I673 HydrophobicContact CB-CD1 4.18Å; K285-I673 HydrophobicContact CD-CD1 4.08Å; K285-I673 HydrophobicContact CG-CD1 4.14Å; K285-Y680 HydrophobicContact CD-CE2 4.45Å; K285-Y680 VanDerWaalsContact CE-CZ 3.45Å; K285-Y680 WeakPolarHBondContact CE-OH 3.2Å; K285-Y680 HydrophobicContact CG-CE2 3.59Å
286	T	89.8	Confident	89.4	Confident	2 Å²	2	16.5 Å²	16.5	1%	0.012	10%	0.1	C	C	.	.	H	α-helix	trans	-68.4	-39.1	172.2	63.4	0	0	0	0	113.7	P282 E283 I284 G289 G290 F291 I673 Y678 Y680	P282-T286 WeakPolarHBondContact O-CG2 3.29Å; P282-T286 PolarHBondContact O-N 3.29Å; E283-T286 WeakPolarHBondContact CA-OG1 3.37Å; E283-T286 PolarHBondContact O-N 3.03Å; E283-T286 VanDerWaalsContact O-N 3.1Å; E283-T286 PolarHBondContact O-OG1 3.08Å; I284-T286 VanDerWaalsContact C-N 3.28Å; I284-T286 PolarHBondContact O-N 2.95Å; T286-G289 CarbonylContact O-C 3.24Å; T286-G289 WeakPolarHBondContact O-CA 3.4Å; T286-G289 PolarHBondContact O-N 3.2Å; T286-G290 PolarHBondContact O-N 3.26Å; T286-F291 WeakPolarHBondContact O-CB 3.19Å; T286-F291 PolarHBondContact O-N 3.01Å; T286-F291 VanDerWaalsContact O-N 3.14Å; T286-I673 HydrophobicContact CG2-CD1 4.03Å; T286-I673 HydrophobicContact CG2-CG1 3.97Å; T286-I673 HydrophobicContact CG2-CG2 3.81Å; T286-Y678 HydrophobicContact CG2-CD2 3.9Å; T286-Y678 HydrophobicContact CG2-CG 4.11Å; T286-Y680 HydrophobicContact CG2-CD2 4.35Å
287	I	90.9	Very high	89.4	Confident	15 Å²	15	17.2 Å²	17.2	8%	0.077	10%	0.104	C	C	.	.	H	α-helix	trans	-65.6	-48.8	178.7	-66.7	165.1	0	0	0	110.9	E283 I284 G289 G290 F291 I293 Y296 L297 L354	E283-I287 VanDerWaalsContact O-CG1 3.32Å; E283-I287 WeakPolarHBondContact O-CG1 3.43Å; E283-I287 PolarHBondContact O-N 3.29Å; I284-I287 PolarHBondContact O-N 3.22Å; I284-I287 VanDerWaalsContact O-N 3.14Å; I287-G289 PolarHBondContact O-N 2.84Å; I287-G290 PolarHBondContact O-N 2.98Å; I287-F291 VanDerWaalsContact CA-O 3.25Å; I287-F291 WeakPolarHBondContact CA-O 3.17Å; I287-I293 HydrophobicContact CG1-CD1 4.4Å; I287-I293 HydrophobicContact CG1-CG1 4.38Å; I287-Y296 HydrophobicContact CD1-CD1 3.78Å; I287-Y296 HydrophobicContact CD1-CG 4.38Å; I287-L297 HydrophobicContact CD1-CD1 4.17Å; I287-L297 HydrophobicContact CD1-CG 4.19Å; I287-L297 HydrophobicContact CG2-CD1 4.35Å; I287-L354 HydrophobicContact CG2-CD1 4.35Å
288	L	89	Confident	89.4	Confident	1 Å²	1	16.2 Å²	16.2	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-66.3	-23.6	174.6	-65.2	175.1	0	0	0	112.3	I284 G290 R351 L354 A380	I284-L288 HydrophobicContact CG2-CD1 3.79Å; I284-L288 HydrophobicContact CG2-CG 4.23Å; I284-L288 WeakPolarHBondContact O-CB 3.39Å; I284-L288 WeakPolarHBondContact O-CG 3.47Å; I284-L288 PolarHBondContact O-N 2.89Å; L288-G290 PolarHBondContact O-N 3.26Å; L288-R351 HydrophobicContact CD2-CG 3.66Å; L288-R351 PolarHBondContact O-NE 3.46Å; L288-R351 PolarHBondContact O-NH2 3.26Å; L288-L354 HydrophobicContact CD2-CB 3.81Å; L288-A380 WeakPolarHBondContact CB-O 3.28Å; L288-A380 HydrophobicContact CD1-CB 3.86Å; L288-A380 VanDerWaalsContact CD1-O 3.3Å; L288-A380 WeakPolarHBondContact CD1-O 3.45Å
289	G	82.6	Confident	89.5	Confident	9 Å²	9	22.6 Å²	22.6	9%	0.093	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-1.7	170.6	0	0	0	0	0	114.9	K285 T286 I287 K839	K285-G289 PolarHBondContact O-N 2.93Å; T286-G289 CarbonylContact O-C 3.24Å; T286-G289 WeakPolarHBondContact O-CA 3.4Å; T286-G289 PolarHBondContact O-N 3.2Å; I287-G289 PolarHBondContact O-N 2.84Å; G289-K839 PolarHBondContact O-NZ 3.45Å
290	G	82.8	Confident	89.6	Confident	3 Å²	3	29.7 Å²	29.7	3%	0.031	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.8	20.9	173.9	0	0	0	0	0	115.1	T132 I133 T286 I287 L288	T132-G290 CarbonylContact C-O 3.59Å; T132-G290 VanDerWaalsContact CA-O 3.27Å; T132-G290 WeakPolarHBondContact CA-O 3.28Å; I133-G290 PolarHBondContact N-O 3.09Å; T286-G290 PolarHBondContact O-N 3.26Å; I287-G290 PolarHBondContact O-N 2.98Å; L288-G290 PolarHBondContact O-N 3.26Å
291	F	84.7	Confident	89.8	Confident	7 Å²	7	30 Å²	30	3%	0.031	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-116.3	120.5	-179.6	-168.6	-111.5	0	0	0	112.5	F130 T132 T286 I287 I293 P679	F130-F291 VanDerWaalsContact C-CE2 3.42Å; F130-F291 HydrophobicContact CB-CE1 4.24Å; F130-F291 HydrophobicContact CB-CE2 4.07Å; F130-F291 HydrophobicContact CB-CZ 3.48Å; F130-F291 VanDerWaalsContact CB-CZ 3.48Å; F130-F291 AromaticContact CD1-CE1 3.46Å; F130-F291 HydrophobicContact CD1-CE1 3.46Å; F130-F291 VanDerWaalsContact CD1-CE1 3.46Å; F130-F291 AromaticContact CD1-CZ 3.39Å; F130-F291 HydrophobicContact CD1-CZ 3.39Å; F130-F291 HydrophobicContact CE1-CE1 4.12Å; F130-F291 HydrophobicContact CE1-CZ 4.44Å; F130-F291 HydrophobicContact CG-CE1 4.15Å; F130-F291 AromaticContact CG-CZ 3.82Å; F130-F291 HydrophobicContact CG-CZ 3.82Å; F130-F291 WeakPolarHBondContact O-CE2 3.36Å; T132-F291 HydrophobicContact CG2-CD2 4.49Å; T286-F291 WeakPolarHBondContact O-CB 3.19Å; T286-F291 PolarHBondContact O-N 3.01Å; T286-F291 VanDerWaalsContact O-N 3.14Å; I287-F291 VanDerWaalsContact CA-O 3.25Å; I287-F291 WeakPolarHBondContact CA-O 3.17Å; F291-I293 HydrophobicContact CD1-CD1 4.44Å; F291-I293 HydrophobicContact CD1-CG1 3.94Å; F291-I293 HydrophobicContact CE1-CG1 4.18Å; F291-P679 HydrophobicContact CD1-CG 4.26Å; F291-P679 HydrophobicContact CD2-CG 3.36Å; F291-P679 HydrophobicContact CE1-CG 4.21Å; F291-P679 HydrophobicContact CE2-CG 3.29Å; F291-P679 HydrophobicContact CG-CG 3.82Å; F291-P679 HydrophobicContact CZ-CG 3.7Å
292	I	85.7	Confident	90	Very high	19 Å²	19	30.5 Å²	30.5	10%	0.097	15%	0.154	C	C	.	.			trans	-88.1	127.2	-175.5	-67.9	170.5	0	0	0	110.9	Y127 F130 E131 I133 R294 E347	Y127-I292 HydrophobicContact CD2-CD1 3.57Å; Y127-I292 HydrophobicContact CG-CD1 3.57Å; F130-I292 WeakPolarHBondContact CA-O 2.9Å; F130-I292 PolarHBondContact N-O 3.45Å; E131-I292 PolarHBondContact O-N 3.45Å; I133-I292 HydrophobicContact CD1-CD1 3.88Å; I133-I292 HydrophobicContact CD1-CG1 3.72Å; I133-I292 HydrophobicContact CG1-CD1 3.47Å; I133-I292 VanDerWaalsContact CG1-CD1 3.47Å; I133-I292 HydrophobicContact CG1-CG1 3.67Å; I292-R294 HydrophobicContact CG2-CG 4.1Å; I292-E347 HydrophobicContact CD1-CG 4.2Å
293	I	87.6	Confident	90.2	Very high	11 Å²	11	34.3 Å²	34.3	6%	0.056	17%	0.174	C	C	.	.			trans	-118.3	102.5	170.9	-51.1	174.5	0	0	0	107.5	Y275 E283 I287 F291 Y296 Y678	Y275-I293 HydrophobicContact CE1-CG2 4.35Å; E283-I293 HydrophobicContact CB-CD1 4.39Å; E283-I293 HydrophobicContact CG-CD1 4.49Å; I287-I293 HydrophobicContact CG1-CD1 4.4Å; I287-I293 HydrophobicContact CG1-CG1 4.38Å; F291-I293 HydrophobicContact CD1-CD1 4.44Å; F291-I293 HydrophobicContact CD1-CG1 3.94Å; F291-I293 HydrophobicContact CE1-CG1 4.18Å; I293-Y296 HydrophobicContact CG2-CD2 4.46Å; I293-Y296 HydrophobicContact CG2-CG 4.46Å; I293-Y296 WeakPolarHBondContact O-CB 3.44Å; I293-Y678 HydrophobicContact CD1-CE1 4.45Å
294	R	83.5	Confident	90.3	Very high	108 Å²	108	33.5 Å²	33.5	41%	0.408	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	143.5	-176.2	-70.5	-173.2	171.2	-168.2	-1.9	110.9	Y127 D129 I292 Y296	Y127-R294 VanDerWaalsContact O-CZ 3.25Å; Y127-R294 PolarHBondContact O-NE 3.12Å; Y127-R294 VanDerWaalsContact O-NE 3.1Å; Y127-R294 PolarHBondContact O-NH2 3.33Å; D129-R294 HydrophobicContact CB-CB 4.43Å; D129-R294 HydrophobicContact CB-CG 4.18Å; D129-R294 PolarHBondContact OD1-N 2.82Å; I292-R294 HydrophobicContact CG2-CG 4.1Å; R294-Y296 PolarHBondContact O-N 3.48Å; R294-Y296 VanDerWaalsContact O-N 3.13Å
295	G	84.7	Confident	90.5	Very high	50 Å²	50	33.2 Å²	33.2	52%	0.515	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	-13.1	180	0	0	0	0	0	115.6	G298 T301	G295-G298 PolarHBondContact O-N 3.33Å; G295-T301 WeakPolarHBondContact O-CG2 3.33Å
296	Y	91.6	Very high	90.8	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.02	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-48.9	-179.8	-164.3	-101	0	0	0	112.3	Y275 G280 E283 I287 I293 R294 G298 T301 H327	Y275-Y296 AromaticContact CD1-CD2 3.67Å; Y275-Y296 HydrophobicContact CD1-CD2 3.67Å; Y275-Y296 HydrophobicContact CD1-CE2 4.25Å; Y275-Y296 AromaticContact CG-CD2 3.94Å; Y275-Y296 HydrophobicContact CG-CD2 3.94Å; G280-Y296 WeakPolarHBondContact CA-OH 3.48Å; E283-Y296 HydrophobicContact CB-CD1 4.09Å; E283-Y296 HydrophobicContact CB-CE1 3.36Å; E283-Y296 HydrophobicContact CB-CE2 3.91Å; E283-Y296 WeakPolarHBondContact CB-OH 3.25Å; E283-Y296 HydrophobicContact CG-CD2 4.49Å; E283-Y296 HydrophobicContact CG-CE1 4.14Å; E283-Y296 HydrophobicContact CG-CE2 3.73Å; E283-Y296 WeakPolarHBondContact CG-OH 3.45Å; E283-Y296 PolarHBondContact OE2-OH 2.99Å; I287-Y296 HydrophobicContact CD1-CD1 3.78Å; I287-Y296 HydrophobicContact CD1-CG 4.38Å; I293-Y296 HydrophobicContact CG2-CD2 4.46Å; I293-Y296 HydrophobicContact CG2-CG 4.46Å; I293-Y296 WeakPolarHBondContact O-CB 3.44Å; R294-Y296 PolarHBondContact O-N 3.48Å; R294-Y296 VanDerWaalsContact O-N 3.13Å; Y296-G298 PolarHBondContact O-N 3.17Å; Y296-T301 WeakPolarHBondContact O-CB 3.41Å; Y296-T301 PolarHBondContact O-OG1 3.45Å; Y296-H327 AromaticContact CD1-CE1 3.84Å; Y296-H327 AromaticContact CD1-NE2 3.39Å; Y296-H327 WeakPolarHBondContact CD1-NE2 3.09Å; Y296-H327 AromaticContact CE1-CD2 3.76Å; Y296-H327 AromaticContact CE1-CE1 3.21Å; Y296-H327 WeakPolarHBondContact CE1-CE1 3.39Å; Y296-H327 AromaticContact CE1-ND1 3.9Å; Y296-H327 AromaticContact CE1-NE2 3.09Å; Y296-H327 WeakPolarHBondContact CE1-NE2 3.39Å; Y296-H327 AromaticContact CE2-CE1 3.99Å; Y296-H327 AromaticContact CZ-CE1 3.26Å; Y296-H327 AromaticContact CZ-ND1 3.88Å; Y296-H327 AromaticContact CZ-NE2 3.68Å; Y296-H327 PolarHBondContact O-NE2 3.17Å; Y296-H327 PolarHBondContact OH-CE1 3.35Å
297	L	93.1	Very high	91.1	Very high	15 Å²	15	36.5 Å²	36.5	8%	0.079	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	32.3	177.6	-59.7	172.8	0	0	0	112.8	I287 A330 N334 L354	I287-L297 HydrophobicContact CD1-CD1 4.17Å; I287-L297 HydrophobicContact CD1-CG 4.19Å; I287-L297 HydrophobicContact CG2-CD1 4.35Å; L297-A330 HydrophobicContact CD2-CB 3.81Å; L297-N334 HydrophobicContact CB-CB 3.7Å; L297-N334 HydrophobicContact CD1-CB 4.24Å; L297-N334 PolarHBondContact O-ND2 2.96Å; L297-L354 HydrophobicContact CD1-CD1 3.92Å; L297-L354 HydrophobicContact CD1-CD2 3.97Å
298	G	92	Very high	91.4	Very high	20 Å²	20	35.8 Å²	35.8	21%	0.206	19%	0.186	C	C	.	.			trans	-78.3	163.8	-175.7	0	0	0	0	0	114.7	G295 Y296 W300 T301 L302	G295-G298 PolarHBondContact O-N 3.33Å; Y296-G298 PolarHBondContact O-N 3.17Å; G298-W300 VanDerWaalsContact C-N 3.34Å; G298-W300 PolarHBondContact O-N 3.47Å; G298-T301 PolarHBondContact N-OG1 2.8Å; G298-T301 VanDerWaalsContact N-OG1 3.09Å; G298-T301 PolarHBondContact O-N 3.28Å; G298-T301 PolarHBondContact O-OG1 3Å; G298-L302 PolarHBondContact O-N 3.48Å; G298-L302 VanDerWaalsContact O-N 3.17Å
299	K	94.9	Very high	91.6	Very high	150 Å²	150	35.8 Å²	35.8	65%	0.652	19%	0.186	S	C	*	.	H	α-helix	trans	-66.4	-33.7	172.3	62.6	-177.4	179.4	179.6	0	113.5	L303 I335	K299-L303 PolarHBondContact O-N 3.36Å; K299-I335 HydrophobicContact CB-CD1 3.92Å; K299-I335 HydrophobicContact CB-CG1 4.43Å
300	W	94.5	Very high	92.3	Very high	155 Å²	155	36.5 Å²	36.5	59%	0.587	19%	0.187	S	C	*	.	H	α-helix	trans	-72.2	-35.8	176.8	-73.3	117.4	0	0	0	112.2	G298 L303 I304	G298-W300 VanDerWaalsContact C-N 3.34Å; G298-W300 PolarHBondContact O-N 3.47Å; W300-L303 PolarHBondContact O-N 2.99Å; W300-I304 WeakPolarHBondContact O-CB 3.44Å; W300-I304 WeakPolarHBondContact O-CG1 3.27Å; W300-I304 PolarHBondContact O-N 3.25Å
301	T	95.9	Very high	92.9	Very high	6 Å²	6	37.2 Å²	37.2	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-66.5	-41.1	174.9	57.1	0	0	0	0	110.5	A273 G295 Y296 G298 K305	A273-T301 HydrophobicContact CB-CG2 4.22Å; G295-T301 WeakPolarHBondContact O-CG2 3.33Å; Y296-T301 WeakPolarHBondContact O-CB 3.41Å; Y296-T301 PolarHBondContact O-OG1 3.45Å; G298-T301 PolarHBondContact N-OG1 2.8Å; G298-T301 VanDerWaalsContact N-OG1 3.09Å; G298-T301 PolarHBondContact O-N 3.28Å; G298-T301 PolarHBondContact O-OG1 3Å; T301-K305 WeakPolarHBondContact O-CB 3.43Å; T301-K305 PolarHBondContact O-N 3.5Å
302	L	96.6	Very high	93.4	Very high	18 Å²	18	36.9 Å²	36.9	9%	0.094	19%	0.189	C	C	.	.	H	α-helix	trans	-53.5	-57.6	172	177.6	61.2	0	0	0	111.9	I183 G298 I304 K305 S306 M328 C331 V332 I335	I183-L302 HydrophobicContact CD1-CD1 4.23Å; I183-L302 HydrophobicContact CD1-CD2 4.22Å; G298-L302 PolarHBondContact O-N 3.48Å; G298-L302 VanDerWaalsContact O-N 3.17Å; L302-I304 PolarHBondContact O-N 3.27Å; L302-K305 PolarHBondContact O-N 3.22Å; L302-S306 PolarHBondContact O-N 3.48Å; L302-S306 PolarHBondContact O-OG 3.08Å; L302-M328 HydrophobicContact CD1-CB 3.64Å; L302-M328 HydrophobicContact CD1-CG 3.91Å; L302-C331 HydrophobicContact CB-CB 3.89Å; L302-C331 HydrophobicContact CD1-CB 4.26Å; L302-C331 HydrophobicContact CG-CB 4.48Å; L302-V332 HydrophobicContact CD1-CG2 4.18Å; L302-V332 HydrophobicContact CD2-CG2 3.75Å; L302-I335 HydrophobicContact CD2-CD1 3.95Å
303	L	96.4	Very high	93.7	Very high	89 Å²	89	37.3 Å²	37.3	47%	0.466	19%	0.192	S	C	.	.	H	α-helix	trans	-59.9	-51.3	-175.4	-169.4	161.9	0	0	0	111.9	K299 W300 K305 S306 V307	K299-L303 PolarHBondContact O-N 3.36Å; W300-L303 PolarHBondContact O-N 2.99Å; L303-K305 VanDerWaalsContact C-N 3.33Å; L303-K305 PolarHBondContact O-N 3.23Å; L303-S306 PolarHBondContact O-N 3.25Å; L303-V307 HydrophobicContact CD2-CG2 4.29Å; L303-V307 PolarHBondContact O-N 2.93Å; L303-V307 VanDerWaalsContact O-N 3.12Å
304	I	96.5	Very high	94	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.036	19%	0.19	C	C	.	.	H	α-helix	trans	-67.8	-35	-177.6	-62.4	-63.8	0	0	0	111.4	L268 V269 F272 A273 A276 W300 L302 G308	L268-I304 HydrophobicContact CB-CG2 4.32Å; L268-I304 HydrophobicContact CD2-CD1 4.46Å; V269-I304 HydrophobicContact CG2-CG2 4.28Å; F272-I304 HydrophobicContact CB-CD1 3.71Å; F272-I304 HydrophobicContact CB-CG1 3.81Å; F272-I304 HydrophobicContact CD2-CD1 4.19Å; F272-I304 HydrophobicContact CG-CD1 4.16Å; A273-I304 HydrophobicContact CB-CB 3.83Å; A273-I304 HydrophobicContact CB-CG1 3.92Å; A273-I304 HydrophobicContact CB-CG2 4.03Å; A276-I304 HydrophobicContact CB-CG2 4.2Å; W300-I304 WeakPolarHBondContact O-CB 3.44Å; W300-I304 WeakPolarHBondContact O-CG1 3.27Å; W300-I304 PolarHBondContact O-N 3.25Å; L302-I304 PolarHBondContact O-N 3.27Å; I304-G308 WeakPolarHBondContact O-CA 3.41Å; I304-G308 PolarHBondContact O-N 2.83Å
305	K	97.1	Very high	94.5	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-69.5	-37.7	177	-159.3	175.1	-173.2	88.4	0	111.4	A276 G278 T301 L302 L303 M309 H327 M328 P562	A276-K305 HydrophobicContact CB-CB 3.94Å; A276-K305 HydrophobicContact CB-CG 4.3Å; A276-K305 PolarHBondContact O-NZ 2.87Å; G278-K305 PolarHBondContact O-NZ 3.22Å; T301-K305 WeakPolarHBondContact O-CB 3.43Å; T301-K305 PolarHBondContact O-N 3.5Å; L302-K305 PolarHBondContact O-N 3.22Å; L303-K305 VanDerWaalsContact C-N 3.33Å; L303-K305 PolarHBondContact O-N 3.23Å; K305-M309 VanDerWaalsContact O-CB 3.26Å; K305-M309 WeakPolarHBondContact O-CB 3.49Å; K305-M309 PolarHBondContact O-N 2.97Å; K305-H327 HydrophobicContact CD-CB 4.37Å; K305-H327 VanDerWaalsContact CE-ND1 3.31Å; K305-H327 WeakPolarHBondContact CE-ND1 3.05Å; K305-H327 PolarHBondContact NZ-ND1 2.88Å; K305-M328 HydrophobicContact CB-CG 4.33Å; K305-M328 HydrophobicContact CB-SD 4.45Å; K305-M328 HydrophobicContact CD-CG 4.25Å; K305-M328 HydrophobicContact CG-CG 4.38Å; K305-P562 HydrophobicContact CG-CB 3.98Å; K305-P562 HydrophobicContact CG-CG 4.19Å
306	S	96.5	Very high	94.8	Very high	18 Å²	18	30.4 Å²	30.4	13%	0.126	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-51.6	174.5	-56.2	0	0	0	0	112.1	L302 L303 M309 I310 M328	L302-S306 PolarHBondContact O-N 3.48Å; L302-S306 PolarHBondContact O-OG 3.08Å; L303-S306 PolarHBondContact O-N 3.25Å; S306-M309 PolarHBondContact O-N 2.85Å; S306-I310 PolarHBondContact O-N 3.5Å; S306-M328 PolarHBondContact OG-SD 3.29Å
307	V	96.8	Very high	94.7	Very high	60 Å²	60	30.6 Å²	30.6	36%	0.364	16%	0.158	S	C	.	.	H	α-helix	trans	-65.8	-42.5	178.7	178.6	0	0	0	0	111.2	L268 L303 M309 I310 L311	L268-V307 HydrophobicContact CD1-CG1 3.88Å; L303-V307 HydrophobicContact CD2-CG2 4.29Å; L303-V307 PolarHBondContact O-N 2.93Å; L303-V307 VanDerWaalsContact O-N 3.12Å; V307-M309 VanDerWaalsContact C-N 3.28Å; V307-M309 PolarHBondContact O-N 3.07Å; V307-I310 PolarHBondContact O-N 2.94Å; V307-L311 HydrophobicContact CG1-CD1 4.07Å; V307-L311 WeakPolarHBondContact O-CG 3.35Å; V307-L311 PolarHBondContact O-N 3.27Å; V307-L311 VanDerWaalsContact O-N 3.09Å
308	G	96.2	Very high	94.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.2	-32.1	177.5	0	0	0	0	0	113	C265 I304 G312	C265-G308 VanDerWaalsContact SG-CA 3.56Å; C265-G308 PolarHBondContact SG-O 2.68Å; I304-G308 WeakPolarHBondContact O-CA 3.41Å; I304-G308 PolarHBondContact O-N 2.83Å; G308-G312 WeakPolarHBondContact O-CA 3.43Å; G308-G312 PolarHBondContact O-N 3.06Å
309	M	95	Very high	94.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.5	-46.7	174.4	-164	70.1	-114.2	0	0	111.3	I187 K305 S306 V307 L311 G312 V313 L319 G320 K321 P324 P562	I187-M309 HydrophobicContact CG2-CG 4.28Å; K305-M309 VanDerWaalsContact O-CB 3.26Å; K305-M309 WeakPolarHBondContact O-CB 3.49Å; K305-M309 PolarHBondContact O-N 2.97Å; S306-M309 PolarHBondContact O-N 2.85Å; V307-M309 VanDerWaalsContact C-N 3.28Å; V307-M309 PolarHBondContact O-N 3.07Å; M309-L311 PolarHBondContact O-N 3.34Å; M309-G312 PolarHBondContact O-N 3.47Å; M309-V313 HydrophobicContact CE-CG2 3.4Å; M309-V313 WeakPolarHBondContact O-CG2 3.28Å; M309-V313 PolarHBondContact O-N 3.37Å; M309-L319 HydrophobicContact CE-CD1 3.49Å; M309-L319 VanDerWaalsContact CE-CD1 3.49Å; M309-G320 WeakPolarHBondContact CE-O 3.34Å; M309-K321 HydrophobicContact CE-CB 4.13Å; M309-K321 HydrophobicContact CG-CB 3.75Å; M309-K321 HydrophobicContact SD-CB 4.07Å; M309-P324 HydrophobicContact SD-CB 3.7Å; M309-P324 HydrophobicContact SD-CG 3.59Å; M309-P324 VanDerWaalsContact SD-CG 3.59Å; M309-P562 HydrophobicContact SD-CB 4.19Å
310	I	95.7	Very high	94.5	Very high	25 Å²	25	22.9 Å²	22.9	13%	0.128	12%	0.121	C	C	.	.	H	α-helix	trans	-58.6	-48.7	177.9	-66	165.2	0	0	0	110.6	I187 G190 M194 S306 V307 G314	I187-I310 HydrophobicContact CG2-CG1 4.44Å; G190-I310 WeakPolarHBondContact O-CG2 3.37Å; M194-I310 HydrophobicContact CB-CG2 4.13Å; M194-I310 HydrophobicContact CE-CG2 4.39Å; S306-I310 PolarHBondContact O-N 3.5Å; V307-I310 PolarHBondContact O-N 2.94Å; I310-G314 WeakPolarHBondContact O-CA 3.39Å; I310-G314 PolarHBondContact O-N 2.73Å
311	L	95.9	Very high	94.4	Very high	18 Å²	18	16.4 Å²	16.4	9%	0.094	10%	0.097	C	C	.	.	H	α-helix	trans	-68.4	-35.2	178.6	-66.2	171.3	0	0	0	112.7	M194 F261 V264 C265 L268 V307 M309 A315	M194-L311 HydrophobicContact CE-CD2 4.11Å; M194-L311 HydrophobicContact SD-CD2 4.46Å; F261-L311 HydrophobicContact CB-CD2 4.46Å; F261-L311 HydrophobicContact CD1-CD2 4.35Å; V264-L311 HydrophobicContact CB-CD1 4.17Å; V264-L311 HydrophobicContact CG1-CD1 3.67Å; C265-L311 HydrophobicContact CB-CB 3.8Å; C265-L311 HydrophobicContact CB-CD1 4.37Å; L268-L311 HydrophobicContact CD1-CD1 3.93Å; V307-L311 HydrophobicContact CG1-CD1 4.07Å; V307-L311 WeakPolarHBondContact O-CG 3.35Å; V307-L311 PolarHBondContact O-N 3.27Å; V307-L311 VanDerWaalsContact O-N 3.09Å; M309-L311 PolarHBondContact O-N 3.34Å; L311-A315 WeakPolarHBondContact O-CB 3.04Å; L311-A315 PolarHBondContact O-N 3.36Å
312	G	94.6	Very high	94.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-68.9	-45	179.6	0	0	0	0	0	112.7	G308 M309	G308-G312 WeakPolarHBondContact O-CA 3.43Å; G308-G312 PolarHBondContact O-N 3.06Å; M309-G312 PolarHBondContact O-N 3.47Å
313	V	93.3	Very high	93.9	Very high	28 Å²	28	15.4 Å²	15.4	17%	0.17	9%	0.091	C	C	.	.	H	α-helix	trans	-66.9	-46.4	173.3	177.6	0	0	0	0	109.5	C191 M309 A315 G316 L319	C191-V313 HydrophobicContact CB-CB 4.26Å; C191-V313 HydrophobicContact CB-CG1 4.03Å; M309-V313 HydrophobicContact CE-CG2 3.4Å; M309-V313 WeakPolarHBondContact O-CG2 3.28Å; M309-V313 PolarHBondContact O-N 3.37Å; V313-A315 PolarHBondContact O-N 2.9Å; V313-G316 WeakPolarHBondContact O-CA 3.26Å; V313-G316 PolarHBondContact O-N 2.9Å; V313-L319 HydrophobicContact CB-CD1 4.23Å; V313-L319 HydrophobicContact CG2-CD1 3.52Å
314	G	92.5	Very high	93.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-56.5	-35	177.2	0	0	0	0	0	112.9	K198 I310 G316	K198-G314 WeakPolarHBondContact CD-O 3.27Å; I310-G314 WeakPolarHBondContact O-CA 3.39Å; I310-G314 PolarHBondContact O-N 2.73Å; G314-G316 PolarHBondContact O-N 2.99Å; G314-G316 VanDerWaalsContact O-N 3.13Å
315	A	93.9	Very high	93.8	Very high	3 Å²	3	11.1 Å²	11.1	3%	0.025	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.4	174.7	0	0	0	0	0	113.5	K198 A258 F261 A262 L311 V313 L317 T475	K198-A315 PolarHBondContact NZ-O 3.41Å; A258-A315 VanDerWaalsContact CB-O 3.28Å; A258-A315 WeakPolarHBondContact CB-O 3.41Å; F261-A315 HydrophobicContact CB-CB 4.06Å; A262-A315 HydrophobicContact CB-CB 4.13Å; L311-A315 WeakPolarHBondContact O-CB 3.04Å; L311-A315 PolarHBondContact O-N 3.36Å; V313-A315 PolarHBondContact O-N 2.9Å; A315-L317 HydrophobicContact CB-CG 4.4Å; A315-T475 HydrophobicContact CB-CG2 4.46Å
316	G	91	Very high	93.8	Very high	21 Å²	21	11.2 Å²	11.2	22%	0.216	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	21.5	-174.6	0	0	0	0	0	113.8	V313 G314	V313-G316 WeakPolarHBondContact O-CA 3.26Å; V313-G316 PolarHBondContact O-N 2.9Å; G314-G316 PolarHBondContact O-N 2.99Å; G314-G316 VanDerWaalsContact O-N 3.13Å
317	L	91.3	Very high	93.8	Very high	8 Å²	8	10.3 Å²	10.3	4%	0.042	6%	0.063	C	C	.	.			trans	-63.2	147.4	167.5	-74.2	168.3	0	0	0	109.4	A315 L319 V474 T475 T556 I559	A315-L317 HydrophobicContact CB-CG 4.4Å; L317-L319 HydrophobicContact CB-CD2 3.59Å; L317-L319 HydrophobicContact CB-CG 3.77Å; L317-L319 HydrophobicContact CD1-CD2 4.07Å; L317-L319 PolarHBondContact O-N 3.47Å; L317-V474 HydrophobicContact CD2-CG1 4.27Å; L317-T475 HydrophobicContact CD2-CG2 4.46Å; L317-T556 HydrophobicContact CB-CG2 4.12Å; L317-T556 HydrophobicContact CD2-CG2 4.36Å; L317-I559 HydrophobicContact CD1-CD1 4.02Å
318	N	91.8	Very high	93.8	Very high	12 Å²	12	7.7 Å²	7.7	6%	0.064	5%	0.047	C	C	.	.	S	Bend	trans	-79.7	71.1	-179.3	-160.2	3.9	0	0	0	110.9	K549 L552 T553	N318-K549 PolarHBondContact ND2-O 3.31Å; N318-L552 HydrophobicContact CB-CB 4.41Å; N318-T553 HydrophobicContact CB-CG2 4.21Å; N318-T553 WeakPolarHBondContact ND2-CG2 2.79Å
319	L	91.6	Very high	93.9	Very high	8 Å²	8	7.7 Å²	7.7	4%	0.042	5%	0.047	C	C	.	.			trans	-132.8	161.8	-175.5	53.7	68.2	0	0	0	110.9	M309 V313 L317 T556 V561 T563	M309-L319 HydrophobicContact CE-CD1 3.49Å; M309-L319 VanDerWaalsContact CE-CD1 3.49Å; V313-L319 HydrophobicContact CB-CD1 4.23Å; V313-L319 HydrophobicContact CG2-CD1 3.52Å; L317-L319 HydrophobicContact CB-CD2 3.59Å; L317-L319 HydrophobicContact CB-CG 3.77Å; L317-L319 HydrophobicContact CD1-CD2 4.07Å; L317-L319 PolarHBondContact O-N 3.47Å; L319-T556 HydrophobicContact CB-CG2 4.31Å; L319-V561 HydrophobicContact CD2-CG1 4.3Å; L319-T563 HydrophobicContact CB-CG2 4.17Å; L319-T563 HydrophobicContact CD2-CG2 3.88Å
320	G	90.7	Very high	94	Very high	4 Å²	4	7.8 Å²	7.8	4%	0.041	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	-118.5	155.5	175.2	0	0	0	0	0	113	M309 G564	M309-G320 WeakPolarHBondContact CE-O 3.34Å; G320-G564 PolarHBondContact N-O 3.48Å; G320-G564 WeakPolarHBondContact O-CA 3.45Å; G320-G564 PolarHBondContact O-N 3.45Å
321	K	92.6	Very high	94	Very high	18 Å²	18	6.6 Å²	6.6	8%	0.078	4%	0.041	C	C	.	.	S	Bend	trans	-88.2	-19.6	176.6	53.3	-180	179.8	-179.4	0	114.2	I187 D188 M309 G323 P324 M325 Y409	I187-K321 HydrophobicContact CG2-CD 4.31Å; D188-K321 WeakPolarHBondContact OD1-CE 3.39Å; D188-K321 IonicContact OD1-NZ 2.62Å; D188-K321 PolarHBondContact OD1-NZ 2.94Å; D188-K321 IonicContact OD2-NZ 3.12Å; M309-K321 HydrophobicContact CE-CB 4.13Å; M309-K321 HydrophobicContact CG-CB 3.75Å; M309-K321 HydrophobicContact SD-CB 4.07Å; K321-G323 PolarHBondContact O-N 2.97Å; K321-P324 WeakPolarHBondContact O-CD 3.28Å; K321-M325 HydrophobicContact CB-CE 4.01Å; K321-M325 HydrophobicContact CD-CE 3.83Å; K321-M325 HydrophobicContact CG-CE 3.57Å; K321-M325 WeakPolarHBondContact O-CG 3.21Å; K321-M325 PolarHBondContact O-N 3.42Å; K321-Y409 PolarHBondContact NZ-OH 3.1Å; K321-Y409 VanDerWaalsContact NZ-OH 3.13Å
322	E	91	Very high	94.1	Very high	4 Å²	4	5.8 Å²	5.8	2%	0.019	4%	0.037	C	C	.	.	H	α-helix	trans	-60.6	-43.9	-172.4	-42.3	-46.7	147.6	0	0	114.6	M325 A365 F366 F566 I567	E322-M325 PolarHBondContact O-N 2.92Å; E322-M325 WeakPolarHBondContact OE2-CE 3.31Å; E322-A365 HydrophobicContact CB-CB 3.93Å; E322-A365 HydrophobicContact CG-CB 4.45Å; E322-A365 WeakPolarHBondContact OE2-CA 3.23Å; E322-A365 WeakPolarHBondContact OE2-CB 3.44Å; E322-F366 HydrophobicContact CB-CE1 4.35Å; E322-F366 HydrophobicContact CB-CE2 4.16Å; E322-F366 HydrophobicContact CB-CZ 3.83Å; E322-F366 HydrophobicContact CG-CE1 3.96Å; E322-F366 HydrophobicContact CG-CZ 3.95Å; E322-F566 HydrophobicContact CB-CB 4.23Å; E322-F566 HydrophobicContact CB-CD2 4.07Å; E322-F566 HydrophobicContact CG-CB 4.44Å; E322-I567 HydrophobicContact CG-CD1 4Å; E322-I567 HydrophobicContact CG-CG1 3.49Å; E322-I567 VanDerWaalsContact CG-CG1 3.49Å
323	G	91.6	Very high	94.2	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-64.4	-53.2	178.3	0	0	0	0	0	112.2	S279 K321 M325 V326	S279-G323 WeakPolarHBondContact OG-CA 3.48Å; K321-G323 PolarHBondContact O-N 2.97Å; G323-M325 PolarHBondContact O-N 3.11Å; G323-V326 WeakPolarHBondContact O-CB 3.42Å; G323-V326 PolarHBondContact O-N 2.9Å; G323-V326 VanDerWaalsContact O-N 3.13Å
324	P	95.8	Very high	94.3	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-52.7	-34.3	171.4	-34.5	41	0	0	0	115	S279 M309 K321 V326 H327 M328	S279-P324 WeakPolarHBondContact O-CA 3.3Å; M309-P324 HydrophobicContact SD-CB 3.7Å; M309-P324 HydrophobicContact SD-CG 3.59Å; M309-P324 VanDerWaalsContact SD-CG 3.59Å; K321-P324 WeakPolarHBondContact O-CD 3.28Å; P324-V326 VanDerWaalsContact C-N 3.31Å; P324-V326 PolarHBondContact O-N 3.21Å; P324-H327 WeakPolarHBondContact O-CB 3.45Å; P324-H327 PolarHBondContact O-N 2.8Å; P324-H327 VanDerWaalsContact O-N 3.09Å; P324-M328 HydrophobicContact CB-CE 4.11Å; P324-M328 WeakPolarHBondContact O-CE 3.3Å; P324-M328 WeakPolarHBondContact O-CG 3.35Å; P324-M328 PolarHBondContact O-N 3.43Å
325	M	95.5	Very high	94.4	Very high	5 Å²	5	7.9 Å²	7.9	3%	0.025	5%	0.047	C	C	.	.	H	α-helix	trans	-60.4	-38	176.7	-81.2	-166.4	-106	0	0	112.9	A184 K321 E322 G323 H327 M328 A329 V364 A365	A184-M325 HydrophobicContact CB-SD 4.09Å; K321-M325 HydrophobicContact CB-CE 4.01Å; K321-M325 HydrophobicContact CD-CE 3.83Å; K321-M325 HydrophobicContact CG-CE 3.57Å; K321-M325 WeakPolarHBondContact O-CG 3.21Å; K321-M325 PolarHBondContact O-N 3.42Å; E322-M325 PolarHBondContact O-N 2.92Å; E322-M325 WeakPolarHBondContact OE2-CE 3.31Å; G323-M325 PolarHBondContact O-N 3.11Å; M325-H327 VanDerWaalsContact C-N 3.28Å; M325-H327 PolarHBondContact O-N 3.49Å; M325-M328 HydrophobicContact CB-CE 4.41Å; M325-M328 HydrophobicContact CG-CE 3.9Å; M325-M328 PolarHBondContact O-N 3.02Å; M325-A329 WeakPolarHBondContact O-CB 3.32Å; M325-A329 PolarHBondContact O-N 3.11Å; M325-V364 HydrophobicContact SD-CG2 4.03Å; M325-A365 HydrophobicContact CB-CB 4.31Å; M325-A365 HydrophobicContact CE-CB 4.04Å; M325-A365 HydrophobicContact SD-CB 4.13Å
326	V	96.1	Very high	94.5	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.018	6%	0.055	C	C	.	.	H	α-helix	trans	-59.4	-42	173.4	-171.4	0	0	0	0	111.1	I281 I284 G323 P324 A330 A358 V362	I281-V326 HydrophobicContact CD1-CG2 4.44Å; I281-V326 HydrophobicContact CG1-CB 4.35Å; I284-V326 HydrophobicContact CD1-CG1 4.28Å; G323-V326 WeakPolarHBondContact O-CB 3.42Å; G323-V326 PolarHBondContact O-N 2.9Å; G323-V326 VanDerWaalsContact O-N 3.13Å; P324-V326 VanDerWaalsContact C-N 3.31Å; P324-V326 PolarHBondContact O-N 3.21Å; V326-A330 WeakPolarHBondContact O-CB 3.41Å; V326-A330 PolarHBondContact O-N 3.32Å; V326-A358 HydrophobicContact CG1-CB 3.86Å; V326-V362 HydrophobicContact CG1-CG2 4.48Å; V326-V362 HydrophobicContact CG2-CG2 3.45Å; V326-V362 VanDerWaalsContact CG2-CG2 3.45Å
327	H	96.7	Very high	94.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-70.3	-42.4	178	-174.4	-166.3	0	0	0	112.7	I284 Y296 K305 P324 M325 A329 A330 C331	I284-H327 VanDerWaalsContact CD1-CA 3.45Å; I284-H327 HydrophobicContact CD1-CB 3.77Å; Y296-H327 AromaticContact CD1-CE1 3.84Å; Y296-H327 AromaticContact CD1-NE2 3.39Å; Y296-H327 WeakPolarHBondContact CD1-NE2 3.09Å; Y296-H327 AromaticContact CE1-CD2 3.76Å; Y296-H327 AromaticContact CE1-CE1 3.21Å; Y296-H327 WeakPolarHBondContact CE1-CE1 3.39Å; Y296-H327 AromaticContact CE1-ND1 3.9Å; Y296-H327 AromaticContact CE1-NE2 3.09Å; Y296-H327 WeakPolarHBondContact CE1-NE2 3.39Å; Y296-H327 AromaticContact CE2-CE1 3.99Å; Y296-H327 AromaticContact CZ-CE1 3.26Å; Y296-H327 AromaticContact CZ-ND1 3.88Å; Y296-H327 AromaticContact CZ-NE2 3.68Å; Y296-H327 PolarHBondContact O-NE2 3.17Å; Y296-H327 PolarHBondContact OH-CE1 3.35Å; K305-H327 HydrophobicContact CD-CB 4.37Å; K305-H327 VanDerWaalsContact CE-ND1 3.31Å; K305-H327 WeakPolarHBondContact CE-ND1 3.05Å; K305-H327 PolarHBondContact NZ-ND1 2.88Å; P324-H327 WeakPolarHBondContact O-CB 3.45Å; P324-H327 PolarHBondContact O-N 2.8Å; P324-H327 VanDerWaalsContact O-N 3.09Å; M325-H327 VanDerWaalsContact C-N 3.28Å; M325-H327 PolarHBondContact O-N 3.49Å; H327-A329 VanDerWaalsContact C-N 3.32Å; H327-A329 PolarHBondContact O-N 2.97Å; H327-A330 PolarHBondContact O-N 3.27Å; H327-C331 PolarHBondContact O-N 3.32Å; H327-C331 PolarHBondContact O-SG 3.45Å
328	M	97.2	Very high	94.7	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.02	7%	0.065	C	C	.	.	H	α-helix	trans	-61.4	-42.5	175.9	-70.9	-178.1	-72.6	0	0	111.1	I187 L302 K305 S306 P324 M325 A330 C331 V332	I187-M328 HydrophobicContact CD1-CE 3.37Å; I187-M328 HydrophobicContact CD1-SD 3.55Å; I187-M328 VanDerWaalsContact CD1-SD 3.55Å; L302-M328 HydrophobicContact CD1-CB 3.64Å; L302-M328 HydrophobicContact CD1-CG 3.91Å; K305-M328 HydrophobicContact CB-CG 4.33Å; K305-M328 HydrophobicContact CB-SD 4.45Å; K305-M328 HydrophobicContact CD-CG 4.25Å; K305-M328 HydrophobicContact CG-CG 4.38Å; S306-M328 PolarHBondContact OG-SD 3.29Å; P324-M328 HydrophobicContact CB-CE 4.11Å; P324-M328 WeakPolarHBondContact O-CE 3.3Å; P324-M328 WeakPolarHBondContact O-CG 3.35Å; P324-M328 PolarHBondContact O-N 3.43Å; M325-M328 HydrophobicContact CB-CE 4.41Å; M325-M328 HydrophobicContact CG-CE 3.9Å; M325-M328 PolarHBondContact O-N 3.02Å; M328-A330 PolarHBondContact O-N 3.05Å; M328-C331 WeakPolarHBondContact O-CB 3.33Å; M328-C331 PolarHBondContact O-N 2.87Å; M328-V332 WeakPolarHBondContact O-CG2 3.29Å; M328-V332 PolarHBondContact O-N 3.47Å
329	A	97.5	Very high	94.7	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-60.9	-43.9	173.8	0	0	0	0	0	111.9	T180 M325 H327 C331 V332 G333 S357	T180-A329 HydrophobicContact CG2-CB 3.58Å; M325-A329 WeakPolarHBondContact O-CB 3.32Å; M325-A329 PolarHBondContact O-N 3.11Å; H327-A329 VanDerWaalsContact C-N 3.32Å; H327-A329 PolarHBondContact O-N 2.97Å; A329-C331 VanDerWaalsContact C-N 3.31Å; A329-C331 PolarHBondContact O-N 2.66Å; A329-V332 WeakPolarHBondContact O-CB 3.44Å; A329-V332 PolarHBondContact O-N 3.27Å; A329-G333 PolarHBondContact O-N 2.87Å; A329-S357 WeakPolarHBondContact CB-O 3.49Å; A329-S357 WeakPolarHBondContact O-CB 3.5Å
330	A	96.9	Very high	94.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-35.4	174.9	0	0	0	0	0	113	I284 L297 V326 H327 M328 G333 N334 L354	I284-A330 HydrophobicContact CD1-CB 4.09Å; I284-A330 HydrophobicContact CG1-CB 4.34Å; L297-A330 HydrophobicContact CD2-CB 3.81Å; V326-A330 WeakPolarHBondContact O-CB 3.41Å; V326-A330 PolarHBondContact O-N 3.32Å; H327-A330 PolarHBondContact O-N 3.27Å; M328-A330 PolarHBondContact O-N 3.05Å; A330-G333 PolarHBondContact O-N 3.29Å; A330-N334 WeakPolarHBondContact O-CB 3.31Å; A330-N334 PolarHBondContact O-N 2.78Å; A330-L354 WeakPolarHBondContact O-CD2 3.44Å
331	C	97	Very high	94.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.7	-44.3	173	-63.4	0	0	0	0	111.4	L302 H327 M328 A329 G333 N334 I335	L302-C331 HydrophobicContact CB-CB 3.89Å; L302-C331 HydrophobicContact CD1-CB 4.26Å; L302-C331 HydrophobicContact CG-CB 4.48Å; H327-C331 PolarHBondContact O-N 3.32Å; H327-C331 PolarHBondContact O-SG 3.45Å; M328-C331 WeakPolarHBondContact O-CB 3.33Å; M328-C331 PolarHBondContact O-N 2.87Å; A329-C331 VanDerWaalsContact C-N 3.31Å; A329-C331 PolarHBondContact O-N 2.66Å; C331-G333 VanDerWaalsContact C-N 3.33Å; C331-G333 PolarHBondContact O-N 3.44Å; C331-N334 PolarHBondContact O-N 2.9Å; C331-I335 WeakPolarHBondContact O-CD1 3.4Å; C331-I335 VanDerWaalsContact O-CG1 3.28Å; C331-I335 WeakPolarHBondContact O-CG1 3.32Å; C331-I335 PolarHBondContact O-N 3.42Å
332	V	97.5	Very high	94.1	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-57.8	-47.3	173.8	169.4	0	0	0	0	110.6	V176 L179 I183 L302 M328 A329 N334 I335 F336	V176-V332 HydrophobicContact CB-CG1 4.39Å; V176-V332 HydrophobicContact CG1-CG1 4.2Å; V176-V332 HydrophobicContact CG2-CG1 4.34Å; L179-V332 HydrophobicContact CB-CG1 4.06Å; L179-V332 HydrophobicContact CD2-CG1 3.88Å; L179-V332 HydrophobicContact CD2-CG2 4.08Å; L179-V332 HydrophobicContact CG-CG1 4.19Å; L179-V332 HydrophobicContact CG-CG2 4.3Å; I183-V332 HydrophobicContact CD1-CG2 3.74Å; L302-V332 HydrophobicContact CD1-CG2 4.18Å; L302-V332 HydrophobicContact CD2-CG2 3.75Å; M328-V332 WeakPolarHBondContact O-CG2 3.29Å; M328-V332 PolarHBondContact O-N 3.47Å; A329-V332 WeakPolarHBondContact O-CB 3.44Å; A329-V332 PolarHBondContact O-N 3.27Å; V332-N334 VanDerWaalsContact C-N 3.34Å; V332-N334 PolarHBondContact O-N 2.91Å; V332-I335 PolarHBondContact O-N 3.45Å; V332-F336 HydrophobicContact CG1-CD2 3.73Å; V332-F336 HydrophobicContact CG1-CE2 3.85Å; V332-F336 WeakPolarHBondContact O-CD2 3.16Å; V332-F336 PolarHBondContact O-N 3.21Å
333	G	96.6	Very high	94	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-55.5	-45.4	174.3	0	0	0	0	0	113.3	A329 A330 C331 F336 A337 S357	A329-G333 PolarHBondContact O-N 2.87Å; A330-G333 PolarHBondContact O-N 3.29Å; C331-G333 VanDerWaalsContact C-N 3.33Å; C331-G333 PolarHBondContact O-N 3.44Å; G333-F336 PolarHBondContact O-N 3.4Å; G333-A337 VanDerWaalsContact O-CB 3.23Å; G333-A337 WeakPolarHBondContact O-CB 3.34Å; G333-A337 PolarHBondContact O-N 2.9Å; G333-S357 VanDerWaalsContact CA-OG 3.26Å; G333-S357 WeakPolarHBondContact CA-OG 3.43Å
334	N	95.8	Very high	93.8	Very high	25 Å²	25	24.7 Å²	24.7	13%	0.134	12%	0.123	C	C	.	.	H	α-helix	trans	-64.7	-39.9	178.5	-174.7	57.3	0	0	0	112.9	L297 A330 C331 V332 H338 K350 L354	L297-N334 HydrophobicContact CB-CB 3.7Å; L297-N334 HydrophobicContact CD1-CB 4.24Å; L297-N334 PolarHBondContact O-ND2 2.96Å; A330-N334 WeakPolarHBondContact O-CB 3.31Å; A330-N334 PolarHBondContact O-N 2.78Å; C331-N334 PolarHBondContact O-N 2.9Å; V332-N334 VanDerWaalsContact C-N 3.34Å; V332-N334 PolarHBondContact O-N 2.91Å; N334-H338 PolarHBondContact O-N 2.76Å; N334-K350 WeakPolarHBondContact OD1-CE 3.4Å; N334-K350 PolarHBondContact OD1-NZ 3.32Å; N334-L354 HydrophobicContact CB-CD2 4.09Å
335	I	95.5	Very high	93.3	Very high	47 Å²	47	30.3 Å²	30.3	24%	0.241	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-49.2	177.1	-67	161.5	0	0	0	110	K299 L302 C331 V332 A337 H338 F339	K299-I335 HydrophobicContact CB-CD1 3.92Å; K299-I335 HydrophobicContact CB-CG1 4.43Å; L302-I335 HydrophobicContact CD2-CD1 3.95Å; C331-I335 WeakPolarHBondContact O-CD1 3.4Å; C331-I335 VanDerWaalsContact O-CG1 3.28Å; C331-I335 WeakPolarHBondContact O-CG1 3.32Å; C331-I335 PolarHBondContact O-N 3.42Å; V332-I335 PolarHBondContact O-N 3.45Å; I335-A337 PolarHBondContact O-N 3.35Å; I335-H338 PolarHBondContact O-N 3.24Å; I335-F339 HydrophobicContact CG2-CE2 3.86Å; I335-F339 HydrophobicContact CG2-CZ 4.49Å
336	F	95.3	Very high	92.9	Very high	42 Å²	42	30.2 Å²	30.2	18%	0.184	15%	0.149	C	C	.	.	H	α-helix	trans	-67.8	-35.4	178.9	-80.6	-70	0	0	0	112.9	C175 V176 L179 V332 G333 H338 F339 F340	C175-F336 HydrophobicContact CB-CD1 3.95Å; C175-F336 HydrophobicContact CB-CD2 4.47Å; C175-F336 HydrophobicContact CB-CE1 3.72Å; C175-F336 HydrophobicContact CB-CE2 4.25Å; C175-F336 HydrophobicContact CB-CG 4.33Å; C175-F336 HydrophobicContact CB-CZ 3.88Å; V176-F336 HydrophobicContact CG2-CB 3.89Å; V176-F336 HydrophobicContact CG2-CD2 3.87Å; V176-F336 HydrophobicContact CG2-CG 4.2Å; L179-F336 HydrophobicContact CB-CE2 4.12Å; L179-F336 HydrophobicContact CD2-CE2 3.64Å; L179-F336 HydrophobicContact CD2-CZ 4.21Å; V332-F336 HydrophobicContact CG1-CD2 3.73Å; V332-F336 HydrophobicContact CG1-CE2 3.85Å; V332-F336 WeakPolarHBondContact O-CD2 3.16Å; V332-F336 PolarHBondContact O-N 3.21Å; G333-F336 PolarHBondContact O-N 3.4Å; F336-H338 PolarHBondContact O-N 3.17Å; F336-F339 AromaticContact CD1-CD2 3.94Å; F336-F339 HydrophobicContact CD1-CD2 3.94Å; F336-F339 HydrophobicContact CD1-CE2 4.48Å; F336-F339 HydrophobicContact CE1-CD2 4.43Å; F336-F339 PolarHBondContact O-N 3.03Å; F336-F339 VanDerWaalsContact O-N 3.08Å; F336-F340 VanDerWaalsContact O-CD2 3.22Å; F336-F340 WeakPolarHBondContact O-CD2 3.49Å
337	A	93.8	Very high	92.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.2	-36.4	173.9	0	0	0	0	0	112	G333 I335 F339 F340 G344 K350	G333-A337 VanDerWaalsContact O-CB 3.23Å; G333-A337 WeakPolarHBondContact O-CB 3.34Å; G333-A337 PolarHBondContact O-N 2.9Å; I335-A337 PolarHBondContact O-N 3.35Å; A337-F339 PolarHBondContact O-N 2.87Å; A337-F340 CarbonylContact O-C 3.54Å; A337-F340 PolarHBondContact O-N 2.89Å; A337-G344 WeakPolarHBondContact O-CA 3.31Å; A337-G344 PolarHBondContact O-N 3.47Å; A337-K350 HydrophobicContact CB-CG 4.14Å
338	H	91.5	Very high	92.1	Very high	102 Å²	102	31.7 Å²	31.7	47%	0.472	16%	0.158	S	C	.	.	H	α-helix	trans	-68.2	-29.5	177	-103	79.5	0	0	0	114.1	N334 I335 F336 F340	N334-H338 PolarHBondContact O-N 2.76Å; I335-H338 PolarHBondContact O-N 3.24Å; F336-H338 PolarHBondContact O-N 3.17Å; H338-F340 PolarHBondContact O-N 3.44Å
339	F	91.8	Very high	91.7	Very high	146 Å²	146	33.7 Å²	33.7	64%	0.64	17%	0.167	S	C	*	.	H	α-helix	trans	-69.7	-20.2	175.6	-68.5	-54.1	0	0	0	113	I335 F336 A337	I335-F339 HydrophobicContact CG2-CE2 3.86Å; I335-F339 HydrophobicContact CG2-CZ 4.49Å; F336-F339 AromaticContact CD1-CD2 3.94Å; F336-F339 HydrophobicContact CD1-CD2 3.94Å; F336-F339 HydrophobicContact CD1-CE2 4.48Å; F336-F339 HydrophobicContact CE1-CD2 4.43Å; F336-F339 PolarHBondContact O-N 3.03Å; F336-F339 VanDerWaalsContact O-N 3.08Å; A337-F339 PolarHBondContact O-N 2.87Å
340	F	89.5	Confident	91.5	Very high	26 Å²	26	34.5 Å²	34.5	11%	0.114	17%	0.17	C	C	.	.	S	Bend	trans	-108.6	105.6	175.7	-61.6	-76	0	0	0	109.8	F171 C172 F336 A337 H338 K342 Y343 G344	F171-F340 HydrophobicContact CD1-CE1 4.2Å; F171-F340 HydrophobicContact CD1-CE2 4.49Å; F171-F340 AromaticContact CD1-CZ 3.58Å; F171-F340 HydrophobicContact CD1-CZ 3.58Å; F171-F340 HydrophobicContact CE1-CZ 4.01Å; C172-F340 HydrophobicContact CB-CD2 3.73Å; C172-F340 HydrophobicContact CB-CE2 3.7Å; F336-F340 VanDerWaalsContact O-CD2 3.22Å; F336-F340 WeakPolarHBondContact O-CD2 3.49Å; A337-F340 CarbonylContact O-C 3.54Å; A337-F340 PolarHBondContact O-N 2.89Å; H338-F340 PolarHBondContact O-N 3.44Å; F340-K342 PolarHBondContact O-N 3.13Å; F340-Y343 HydrophobicContact CB-CD2 3.82Å; F340-Y343 PolarHBondContact O-N 3.22Å; F340-G344 PolarHBondContact O-N 2.99Å
341	P	85.2	Confident	91.2	Very high	84 Å²	84	35.8 Å²	35.8	55%	0.545	18%	0.175	S	C	.	.	H	α-helix	trans	-52.9	-32.6	-175.1	-27.5	33.3	0	0	0	114.3	Y343 G344 Q345	P341-Y343 VanDerWaalsContact C-N 3.25Å; P341-Y343 PolarHBondContact O-N 3.45Å; P341-G344 PolarHBondContact O-N 3.29Å; P341-Q345 WeakPolarHBondContact O-CB 3.28Å; P341-Q345 WeakPolarHBondContact O-CG 2.97Å; P341-Q345 PolarHBondContact O-N 3.4Å
342	K	87.8	Confident	91	Very high	26 Å²	26	37 Å²	37	11%	0.113	18%	0.18	C	C	.	.	H	α-helix	trans	-50.1	-43.4	172.2	173.1	176.5	-174.5	161.9	0	113.2	D165 F340	D165-K342 PolarHBondContact O-NZ 3.05Å; D165-K342 IonicContact OD1-NZ 3.43Å; D165-K342 IonicContact OD2-NZ 2.71Å; D165-K342 PolarHBondContact OD2-NZ 3.37Å; F340-K342 PolarHBondContact O-N 3.13Å
343	Y	89.7	Confident	90.9	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-95.8	-37.9	-177.2	-64.4	-75.6	0	0	0	111.2	G169 F340 P341 Q345 K349 K350 I353	G169-Y343 WeakPolarHBondContact CA-OH 3.44Å; F340-Y343 HydrophobicContact CB-CD2 3.82Å; F340-Y343 PolarHBondContact O-N 3.22Å; P341-Y343 VanDerWaalsContact C-N 3.25Å; P341-Y343 PolarHBondContact O-N 3.45Å; Y343-Q345 VanDerWaalsContact C-N 3.34Å; Y343-Q345 PolarHBondContact O-N 2.94Å; Y343-K349 HydrophobicContact CD1-CB 3.82Å; Y343-K349 WeakPolarHBondContact CD1-O 3.44Å; Y343-K349 HydrophobicContact CE1-CB 4.17Å; Y343-K350 WeakPolarHBondContact O-CB 3.38Å; Y343-I353 HydrophobicContact CD1-CD1 4.05Å; Y343-I353 HydrophobicContact CD1-CG1 3.43Å; Y343-I353 VanDerWaalsContact CD1-CG1 3.43Å; Y343-I353 HydrophobicContact CE1-CD1 3.76Å; Y343-I353 HydrophobicContact CE1-CG1 3.65Å; Y343-I353 HydrophobicContact CG-CG1 3.94Å
344	G	86.6	Confident	90.8	Very high	5 Å²	5	37.3 Å²	37.3	5%	0.052	18%	0.182	C	C	.	.	H	α-helix	trans	-67.1	-30.9	-177.9	0	0	0	0	0	114.3	A337 F340 P341	A337-G344 WeakPolarHBondContact O-CA 3.31Å; A337-G344 PolarHBondContact O-N 3.47Å; F340-G344 PolarHBondContact O-N 2.99Å; P341-G344 PolarHBondContact O-N 3.29Å
345	Q	85	Confident	90.7	Very high	118 Å²	118	36.2 Å²	36.2	55%	0.551	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	0.8	-177.7	-57.7	-177.7	-14	0	0	113.9	R141 P341 Y343	R141-Q345 PolarHBondContact NH2-O 2.97Å; P341-Q345 WeakPolarHBondContact O-CB 3.28Å; P341-Q345 WeakPolarHBondContact O-CG 2.97Å; P341-Q345 PolarHBondContact O-N 3.4Å; Y343-Q345 VanDerWaalsContact C-N 3.34Å; Y343-Q345 PolarHBondContact O-N 2.94Å
346	N	88.3	Confident	90.8	Very high	4 Å²	4	34 Å²	34	2%	0.021	17%	0.165	C	C	.	.			trans	-133.5	109.3	-178	-175.7	-35.2	0	0	0	109.1	D138 A348 K349 K350	D138-N346 WeakPolarHBondContact CB-OD1 3.29Å; D138-N346 PolarHBondContact O-ND2 3.46Å; N346-A348 VanDerWaalsContact C-N 3.32Å; N346-A348 PolarHBondContact O-N 3.13Å; N346-A348 WeakPolarHBondContact OD1-CA 3.37Å; N346-A348 VanDerWaalsContact OD1-CB 3.3Å; N346-A348 WeakPolarHBondContact OD1-CB 3.42Å; N346-A348 PolarHBondContact OD1-N 2.63Å; N346-K349 HydrophobicContact CB-CB 4.25Å; N346-K349 PolarHBondContact O-N 3Å; N346-K349 PolarHBondContact OD1-N 3.27Å; N346-K350 WeakPolarHBondContact O-CB 3.32Å; N346-K350 PolarHBondContact O-N 3.1Å
347	E	88.1	Confident	90.8	Very high	18 Å²	18	32 Å²	32	8%	0.084	16%	0.156	C	C	.	.	H	α-helix	trans	-70.8	-30.3	-174.3	-65.5	-67.7	148.9	0	0	111.4	Y127 I133 D138 I292 K349 K350 R351	Y127-E347 HydrophobicContact CD2-CG 3.89Å; Y127-E347 HydrophobicContact CE2-CB 4.35Å; Y127-E347 HydrophobicContact CE2-CG 3.93Å; I133-E347 HydrophobicContact CD1-CB 3.9Å; I133-E347 HydrophobicContact CD1-CG 4.43Å; I133-E347 HydrophobicContact CG1-CB 4.32Å; I133-E347 HydrophobicContact CG2-CB 4.07Å; D138-E347 WeakPolarHBondContact OD2-CB 3.44Å; D138-E347 PolarHBondContact OD2-N 3.3Å; I292-E347 HydrophobicContact CD1-CG 4.2Å; E347-K349 PolarHBondContact O-N 3.39Å; E347-K350 PolarHBondContact O-N 2.87Å; E347-K350 IonicContact OE1-NZ 3.88Å; E347-K350 PolarHBondContact OE1-NZ 2.86Å; E347-K350 WeakPolarHBondContact OE2-CD 3.41Å; E347-K350 IonicContact OE2-NZ 3.9Å; E347-K350 PolarHBondContact OE2-NZ 3.14Å; E347-R351 WeakPolarHBondContact O-CB 3.33Å; E347-R351 PolarHBondContact O-N 3.4Å
348	A	86.8	Confident	90.9	Very high	16 Å²	16	32 Å²	32	13%	0.132	16%	0.156	C	C	.	.	H	α-helix	trans	-59.1	-44.3	171.1	0	0	0	0	0	112.5	W135 D138 V139 N346 R351	W135-A348 HydrophobicContact CE3-CB 3.89Å; W135-A348 HydrophobicContact CZ3-CB 4.32Å; D138-A348 HydrophobicContact CB-CB 3.69Å; D138-A348 PolarHBondContact OD2-N 2.92Å; V139-A348 HydrophobicContact CG2-CB 4.14Å; N346-A348 VanDerWaalsContact C-N 3.32Å; N346-A348 PolarHBondContact O-N 3.13Å; N346-A348 WeakPolarHBondContact OD1-CA 3.37Å; N346-A348 VanDerWaalsContact OD1-CB 3.3Å; N346-A348 WeakPolarHBondContact OD1-CB 3.42Å; N346-A348 PolarHBondContact OD1-N 2.63Å; A348-R351 WeakPolarHBondContact O-CB 3.44Å
349	K	89.8	Confident	91.2	Very high	45 Å²	45	27.1 Å²	27.1	20%	0.196	13%	0.134	C	C	.	.	H	α-helix	trans	-74.8	-36.4	176.2	-73.4	-64.5	175.7	-163.1	0	112.8	D142 Y343 N346 E347 R351 E352	D142-K349 WeakPolarHBondContact OD2-CE 3.47Å; D142-K349 IonicContact OD2-NZ 3.73Å; Y343-K349 HydrophobicContact CD1-CB 3.82Å; Y343-K349 WeakPolarHBondContact CD1-O 3.44Å; Y343-K349 HydrophobicContact CE1-CB 4.17Å; N346-K349 HydrophobicContact CB-CB 4.25Å; N346-K349 PolarHBondContact O-N 3Å; N346-K349 PolarHBondContact OD1-N 3.27Å; E347-K349 PolarHBondContact O-N 3.39Å; K349-R351 VanDerWaalsContact C-N 3.27Å; K349-R351 PolarHBondContact O-N 3.24Å; K349-E352 WeakPolarHBondContact CD-OE1 3.23Å; K349-E352 IonicContact NZ-OE1 2.73Å; K349-E352 PolarHBondContact NZ-OE1 3Å; K349-E352 IonicContact NZ-OE2 2.61Å; K349-E352 WeakPolarHBondContact O-CB 3.3Å; K349-E352 PolarHBondContact O-N 3.41Å; K349-E352 VanDerWaalsContact O-N 3.12Å
350	K	92.3	Very high	91.5	Very high	19 Å²	19	20.2 Å²	20.2	8%	0.083	10%	0.103	C	C	.	.	H	α-helix	trans	-59.4	-38.7	174.6	-169.2	166.2	156.3	-141.3	0	112.1	N334 A337 Y343 N346 E347 E352 I353 L354	N334-K350 WeakPolarHBondContact OD1-CE 3.4Å; N334-K350 PolarHBondContact OD1-NZ 3.32Å; A337-K350 HydrophobicContact CB-CG 4.14Å; Y343-K350 WeakPolarHBondContact O-CB 3.38Å; N346-K350 WeakPolarHBondContact O-CB 3.32Å; N346-K350 PolarHBondContact O-N 3.1Å; E347-K350 PolarHBondContact O-N 2.87Å; E347-K350 IonicContact OE1-NZ 3.88Å; E347-K350 PolarHBondContact OE1-NZ 2.86Å; E347-K350 WeakPolarHBondContact OE2-CD 3.41Å; E347-K350 IonicContact OE2-NZ 3.9Å; E347-K350 PolarHBondContact OE2-NZ 3.14Å; K350-E352 VanDerWaalsContact C-N 3.26Å; K350-E352 PolarHBondContact O-N 3.44Å; K350-I353 PolarHBondContact O-N 3.3Å; K350-L354 HydrophobicContact CG-CD1 4.27Å; K350-L354 HydrophobicContact CG-CG 4.38Å; K350-L354 WeakPolarHBondContact O-CG 3.46Å; K350-L354 PolarHBondContact O-N 2.95Å
351	R	91.1	Very high	91.8	Very high	27 Å²	27	19 Å²	19	10%	0.102	10%	0.098	C	C	.	.	H	α-helix	trans	-52.7	-42.2	173	-172.9	-167.5	179.1	164.7	0.6	112.1	W135 L288 E347 A348 K349 I353 L354 S355 Y383	W135-R351 HydrophobicContact CH2-CB 4.04Å; W135-R351 HydrophobicContact CH2-CG 4.07Å; W135-R351 HydrophobicContact CZ3-CB 3.99Å; W135-R351 HydrophobicContact CZ3-CG 4.4Å; L288-R351 HydrophobicContact CD2-CG 3.66Å; L288-R351 PolarHBondContact O-NE 3.46Å; L288-R351 PolarHBondContact O-NH2 3.26Å; E347-R351 WeakPolarHBondContact O-CB 3.33Å; E347-R351 PolarHBondContact O-N 3.4Å; A348-R351 WeakPolarHBondContact O-CB 3.44Å; K349-R351 VanDerWaalsContact C-N 3.27Å; K349-R351 PolarHBondContact O-N 3.24Å; R351-I353 VanDerWaalsContact C-N 3.32Å; R351-I353 PolarHBondContact O-N 2.97Å; R351-L354 PolarHBondContact O-N 2.99Å; R351-S355 PolarHBondContact O-N 3Å; R351-S355 PolarHBondContact O-OG 3.21Å; R351-S355 VanDerWaalsContact O-OG 3.1Å; R351-Y383 VanDerWaalsContact NH2-N 3.2Å
352	E	92.4	Very high	92.3	Very high	25 Å²	25	15 Å²	15	12%	0.117	7%	0.073	C	C	.	.	H	α-helix	trans	-59.1	-43	177.7	-58.8	-180	-173.4	0	0	111.8	K349 K350 A356 T388 R391	K349-E352 WeakPolarHBondContact CD-OE1 3.23Å; K349-E352 IonicContact NZ-OE1 2.73Å; K349-E352 PolarHBondContact NZ-OE1 3Å; K349-E352 IonicContact NZ-OE2 2.61Å; K349-E352 WeakPolarHBondContact O-CB 3.3Å; K349-E352 PolarHBondContact O-N 3.41Å; K349-E352 VanDerWaalsContact O-N 3.12Å; K350-E352 VanDerWaalsContact C-N 3.26Å; K350-E352 PolarHBondContact O-N 3.44Å; E352-A356 PolarHBondContact O-N 3.35Å; E352-A356 VanDerWaalsContact O-N 3.1Å; E352-T388 HydrophobicContact CB-CG2 3.98Å; E352-T388 WeakPolarHBondContact CB-OG1 3.21Å; E352-T388 VanDerWaalsContact CG-OG1 3.25Å; E352-T388 WeakPolarHBondContact CG-OG1 3.39Å; E352-T388 WeakPolarHBondContact O-CG2 3.31Å; E352-R391 IonicContact OE2-NH1 2.65Å; E352-R391 PolarHBondContact OE2-NH1 2.92Å
353	I	95.1	Very high	92.7	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-70.1	-41	178.3	-58.4	-61	0	0	0	110.9	V173 Y343 K350 R351 A356 S357	V173-I353 HydrophobicContact CG2-CD1 3.74Å; Y343-I353 HydrophobicContact CD1-CD1 4.05Å; Y343-I353 HydrophobicContact CD1-CG1 3.43Å; Y343-I353 VanDerWaalsContact CD1-CG1 3.43Å; Y343-I353 HydrophobicContact CE1-CD1 3.76Å; Y343-I353 HydrophobicContact CE1-CG1 3.65Å; Y343-I353 HydrophobicContact CG-CG1 3.94Å; K350-I353 PolarHBondContact O-N 3.3Å; R351-I353 VanDerWaalsContact C-N 3.32Å; R351-I353 PolarHBondContact O-N 2.97Å; I353-A356 PolarHBondContact O-N 2.7Å; I353-S357 WeakPolarHBondContact O-CB 3.27Å; I353-S357 PolarHBondContact O-N 3.48Å; I353-S357 PolarHBondContact O-OG 3.32Å
354	L	95.2	Very high	92.9	Very high	8 Å²	8	13.9 Å²	13.9	4%	0.042	7%	0.068	C	C	.	.	H	α-helix	trans	-64.2	-40	177.9	-67.4	178.3	0	0	0	112	I287 L288 L297 A330 N334 K350 R351 S357 A358	I287-L354 HydrophobicContact CG2-CD1 4.35Å; L288-L354 HydrophobicContact CD2-CB 3.81Å; L297-L354 HydrophobicContact CD1-CD1 3.92Å; L297-L354 HydrophobicContact CD1-CD2 3.97Å; A330-L354 WeakPolarHBondContact O-CD2 3.44Å; N334-L354 HydrophobicContact CB-CD2 4.09Å; K350-L354 HydrophobicContact CG-CD1 4.27Å; K350-L354 HydrophobicContact CG-CG 4.38Å; K350-L354 WeakPolarHBondContact O-CG 3.46Å; K350-L354 PolarHBondContact O-N 2.95Å; R351-L354 PolarHBondContact O-N 2.99Å; L354-S357 WeakPolarHBondContact O-CB 3.25Å; L354-S357 PolarHBondContact O-N 3.31Å; L354-A358 PolarHBondContact O-N 3.46Å
355	S	94.7	Very high	93.2	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.007	7%	0.067	C	C	.	.	H	α-helix	trans	-63.6	-44.2	173	-60.3	0	0	0	0	111.7	R351 S357 A358 A359 S376 S381	R351-S355 PolarHBondContact O-N 3Å; R351-S355 PolarHBondContact O-OG 3.21Å; R351-S355 VanDerWaalsContact O-OG 3.1Å; S355-S357 VanDerWaalsContact C-N 3.26Å; S355-S357 PolarHBondContact O-N 3Å; S355-A358 PolarHBondContact O-N 2.92Å; S355-A359 PolarHBondContact O-N 3.45Å; S355-S376 PolarHBondContact O-OG 3.29Å; S355-S376 VanDerWaalsContact O-OG 3.08Å; S355-S381 WeakPolarHBondContact CB-OG 3.47Å; S355-S381 PolarHBondContact OG-OG 2.97Å
356	A	96.1	Very high	93.5	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.008	4%	0.042	C	C	.	.	H	α-helix	trans	-62.2	-34.6	174.3	0	0	0	0	0	113	V173 E352 I353 A360 S392 C395	V173-A356 HydrophobicContact CG2-CB 4.49Å; E352-A356 PolarHBondContact O-N 3.35Å; E352-A356 VanDerWaalsContact O-N 3.1Å; I353-A356 PolarHBondContact O-N 2.7Å; A356-A360 PolarHBondContact O-N 3.01Å; A356-A360 VanDerWaalsContact O-N 3.11Å; A356-S392 VanDerWaalsContact CA-OG 3.27Å; A356-S392 WeakPolarHBondContact CA-OG 3.43Å; A356-S392 WeakPolarHBondContact CB-OG 3.44Å; A356-C395 HydrophobicContact CB-CB 4.36Å
357	S	96.9	Very high	93.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-70.6	-41.4	176.6	-52.1	0	0	0	0	111.5	V176 A329 G333 I353 L354 S355 A359 A360 G361	V176-S357 WeakPolarHBondContact CG1-OG 3.37Å; A329-S357 WeakPolarHBondContact CB-O 3.49Å; A329-S357 WeakPolarHBondContact O-CB 3.5Å; G333-S357 VanDerWaalsContact CA-OG 3.26Å; G333-S357 WeakPolarHBondContact CA-OG 3.43Å; I353-S357 WeakPolarHBondContact O-CB 3.27Å; I353-S357 PolarHBondContact O-N 3.48Å; I353-S357 PolarHBondContact O-OG 3.32Å; L354-S357 WeakPolarHBondContact O-CB 3.25Å; L354-S357 PolarHBondContact O-N 3.31Å; S355-S357 VanDerWaalsContact C-N 3.26Å; S355-S357 PolarHBondContact O-N 3Å; S357-A359 VanDerWaalsContact C-N 3.31Å; S357-A359 PolarHBondContact O-N 3.19Å; S357-A360 PolarHBondContact O-N 2.98Å; S357-G361 PolarHBondContact O-N 3.04Å
358	A	96	Very high	93.8	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-60.4	-42.4	174.9	0	0	0	0	0	111.3	V326 L354 S355 G361 V362	V326-A358 HydrophobicContact CG1-CB 3.86Å; L354-A358 PolarHBondContact O-N 3.46Å; S355-A358 PolarHBondContact O-N 2.92Å; A358-G361 PolarHBondContact O-N 3.43Å; A358-V362 WeakPolarHBondContact O-CG2 3.47Å; A358-V362 PolarHBondContact O-N 3.2Å; A358-V362 VanDerWaalsContact O-N 3.11Å
359	A	96.7	Very high	94.2	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-59.9	-45.4	173.9	0	0	0	0	0	112.4	S355 S357 G361 V362 A363 G372 V373	S355-A359 PolarHBondContact O-N 3.45Å; S357-A359 VanDerWaalsContact C-N 3.31Å; S357-A359 PolarHBondContact O-N 3.19Å; A359-G361 PolarHBondContact O-N 2.96Å; A359-V362 PolarHBondContact O-N 3.37Å; A359-A363 WeakPolarHBondContact O-CB 3.09Å; A359-A363 PolarHBondContact O-N 3.37Å; A359-G372 WeakPolarHBondContact CA-O 3.2Å; A359-V373 HydrophobicContact CB-CG2 4.2Å
360	A	97.6	Very high	94.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.1	-39.6	175.8	0	0	0	0	0	112.7	T180 A356 S357 V362 A363 V364 C395	T180-A360 HydrophobicContact CG2-CB 4.46Å; A356-A360 PolarHBondContact O-N 3.01Å; A356-A360 VanDerWaalsContact O-N 3.11Å; S357-A360 PolarHBondContact O-N 2.98Å; A360-V362 VanDerWaalsContact C-N 3.34Å; A360-V362 PolarHBondContact O-N 2.84Å; A360-A363 WeakPolarHBondContact O-CB 3.44Å; A360-A363 PolarHBondContact O-N 3.2Å; A360-V364 WeakPolarHBondContact O-CG2 3.41Å; A360-V364 PolarHBondContact O-N 3.23Å; A360-C395 HydrophobicContact CB-CB 4.25Å; A360-C395 VanDerWaalsContact CB-SG 3.59Å
361	G	96.7	Very high	94.6	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-61	-39.8	176.2	0	0	0	0	0	113.2	S357 A358 A359 V364 A365	S357-G361 PolarHBondContact O-N 3.04Å; A358-G361 PolarHBondContact O-N 3.43Å; A359-G361 PolarHBondContact O-N 2.96Å; G361-V364 VanDerWaalsContact O-CG2 3.28Å; G361-V364 WeakPolarHBondContact O-CG2 3.44Å; G361-A365 WeakPolarHBondContact O-CB 3.33Å; G361-A365 PolarHBondContact O-N 3.45Å
362	V	94.9	Very high	94.8	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.012	4%	0.043	C	C	.	.	H	α-helix	trans	-72.5	-36.5	173.8	-179.4	0	0	0	0	111.5	V326 A358 A359 A360 A365 F366 F375	V326-V362 HydrophobicContact CG1-CG2 4.48Å; V326-V362 HydrophobicContact CG2-CG2 3.45Å; V326-V362 VanDerWaalsContact CG2-CG2 3.45Å; A358-V362 WeakPolarHBondContact O-CG2 3.47Å; A358-V362 PolarHBondContact O-N 3.2Å; A358-V362 VanDerWaalsContact O-N 3.11Å; A359-V362 PolarHBondContact O-N 3.37Å; A360-V362 VanDerWaalsContact C-N 3.34Å; A360-V362 PolarHBondContact O-N 2.84Å; V362-A365 WeakPolarHBondContact O-CB 3.31Å; V362-A365 PolarHBondContact O-N 3.08Å; V362-F366 HydrophobicContact CG1-CD2 3.75Å; V362-F366 HydrophobicContact CG1-CE2 4.11Å; V362-F366 PolarHBondContact O-N 2.98Å; V362-F375 HydrophobicContact CG1-CB 4.15Å; V362-F375 HydrophobicContact CG1-CG 4.26Å; V362-F375 HydrophobicContact CG2-CB 4.34Å; V362-F375 HydrophobicContact CG2-CD1 3.48Å; V362-F375 VanDerWaalsContact CG2-CD1 3.48Å; V362-F375 HydrophobicContact CG2-CE1 3.82Å; V362-F375 HydrophobicContact CG2-CG 3.87Å; V362-F375 HydrophobicContact CG2-CZ 4.46Å
363	A	95.9	Very high	95	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-61.8	-44.2	178.1	0	0	0	0	0	112.3	A359 A360 G367 A368 P369 A396	A359-A363 WeakPolarHBondContact O-CB 3.09Å; A359-A363 PolarHBondContact O-N 3.37Å; A360-A363 WeakPolarHBondContact O-CB 3.44Å; A360-A363 PolarHBondContact O-N 3.2Å; A363-G367 CarbonylContact O-C 3.41Å; A363-G367 WeakPolarHBondContact O-CA 3.22Å; A363-G367 PolarHBondContact O-N 3.39Å; A363-A368 PolarHBondContact O-N 2.93Å; A363-P369 HydrophobicContact CB-CB 4.38Å; A363-A396 HydrophobicContact CB-CB 3.71Å
364	V	95.1	Very high	95	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.006	5%	0.053	C	C	.	.	H	α-helix	trans	-73	-31.9	176	-61.8	0	0	0	0	112.6	T180 A184 M325 A360 G361 S399 L403	T180-V364 HydrophobicContact CG2-CG1 4.36Å; T180-V364 HydrophobicContact CG2-CG2 3.96Å; A184-V364 HydrophobicContact CB-CB 3.72Å; A184-V364 HydrophobicContact CB-CG1 4.34Å; A184-V364 HydrophobicContact CB-CG2 3.73Å; M325-V364 HydrophobicContact SD-CG2 4.03Å; A360-V364 WeakPolarHBondContact O-CG2 3.41Å; A360-V364 PolarHBondContact O-N 3.23Å; G361-V364 VanDerWaalsContact O-CG2 3.28Å; G361-V364 WeakPolarHBondContact O-CG2 3.44Å; V364-S399 VanDerWaalsContact CG1-CB 3.49Å; V364-L403 HydrophobicContact CB-CD2 4.32Å; V364-L403 WeakPolarHBondContact O-CD2 3.41Å
365	A	93.3	Very high	94.9	Very high	4 Å²	4	9.4 Å²	9.4	3%	0.033	5%	0.052	C	C	.	.	H	α-helix	trans	-62.1	-49.6	177.9	0	0	0	0	0	112.6	E322 M325 G361 V362	E322-A365 HydrophobicContact CB-CB 3.93Å; E322-A365 HydrophobicContact CG-CB 4.45Å; E322-A365 WeakPolarHBondContact OE2-CA 3.23Å; E322-A365 WeakPolarHBondContact OE2-CB 3.44Å; M325-A365 HydrophobicContact CB-CB 4.31Å; M325-A365 HydrophobicContact CE-CB 4.04Å; M325-A365 HydrophobicContact SD-CB 4.13Å; G361-A365 WeakPolarHBondContact O-CB 3.33Å; G361-A365 PolarHBondContact O-N 3.45Å; V362-A365 WeakPolarHBondContact O-CB 3.31Å; V362-A365 PolarHBondContact O-N 3.08Å
366	F	91.3	Very high	94.9	Very high	8 Å²	8	9.3 Å²	9.3	4%	0.035	5%	0.052	C	C	.	.	H	α-helix	trans	-104.7	-1.7	-176.5	-62.6	-74.8	0	0	0	114	E322 V362 A368 I415 F566 L570 V635 L639	E322-F366 HydrophobicContact CB-CE1 4.35Å; E322-F366 HydrophobicContact CB-CE2 4.16Å; E322-F366 HydrophobicContact CB-CZ 3.83Å; E322-F366 HydrophobicContact CG-CE1 3.96Å; E322-F366 HydrophobicContact CG-CZ 3.95Å; V362-F366 HydrophobicContact CG1-CD2 3.75Å; V362-F366 HydrophobicContact CG1-CE2 4.11Å; V362-F366 PolarHBondContact O-N 2.98Å; F366-A368 HydrophobicContact CB-CB 3.84Å; F366-A368 PolarHBondContact O-N 2.98Å; F366-I415 VanDerWaalsContact C-CG2 3.46Å; F366-F566 HydrophobicContact CE1-CB 4.43Å; F366-F566 HydrophobicContact CZ-CB 3.84Å; F366-F566 HydrophobicContact CZ-CD1 4.07Å; F366-F566 HydrophobicContact CZ-CD2 4.28Å; F366-F566 AromaticContact CZ-CG 3.83Å; F366-F566 HydrophobicContact CZ-CG 3.83Å; F366-L570 HydrophobicContact CE1-CD1 4.14Å; F366-V635 HydrophobicContact CB-CG1 3.82Å; F366-V635 HydrophobicContact CD1-CG1 4.12Å; F366-V635 HydrophobicContact CD2-CG1 4.29Å; F366-V635 HydrophobicContact CG-CG1 3.82Å; F366-L639 WeakPolarHBondContact O-CD2 3.36Å
367	G	90.1	Very high	94.6	Very high	4 Å²	4	12 Å²	12	4%	0.041	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	29.4	-168.8	0	0	0	0	0	112.5	A363 M414	A363-G367 CarbonylContact O-C 3.41Å; A363-G367 WeakPolarHBondContact O-CA 3.22Å; A363-G367 PolarHBondContact O-N 3.39Å; G367-M414 WeakPolarHBondContact O-CE 3.42Å
368	A	92.7	Very high	94.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.			trans	-127.7	82.9	-166.5	0	0	0	0	0	111	A363 F366 G372 V635 E638	A363-A368 PolarHBondContact O-N 2.93Å; F366-A368 HydrophobicContact CB-CB 3.84Å; F366-A368 PolarHBondContact O-N 2.98Å; A368-G372 PolarHBondContact O-N 2.6Å; A368-V635 HydrophobicContact CB-CB 4.39Å; A368-V635 HydrophobicContact CB-CG1 4.21Å; A368-V635 HydrophobicContact CB-CG2 4.13Å; A368-E638 WeakPolarHBondContact CA-OE2 3.48Å; A368-E638 HydrophobicContact CB-CB 4.05Å; A368-E638 WeakPolarHBondContact CB-OE2 3.46Å
369	P	95.1	Very high	93.8	Very high	28 Å²	28	16 Å²	16	18%	0.182	8%	0.084	C	C	.	.	H	α-helix	trans	-67.4	-40.7	-173.8	26.3	-33.4	0	0	0	113.5	A363 G372 V373 A396 A400	A363-P369 HydrophobicContact CB-CB 4.38Å; P369-G372 PolarHBondContact O-N 3.41Å; P369-V373 WeakPolarHBondContact O-CG2 3.41Å; P369-V373 PolarHBondContact O-N 3.07Å; P369-A396 HydrophobicContact CB-CB 4.12Å; P369-A400 HydrophobicContact CB-CB 4.46Å
370	I	95.5	Very high	93.2	Very high	82 Å²	82	16.4 Å²	16.4	42%	0.421	9%	0.088	S	C	.	.	H	α-helix	trans	-71.1	-43.5	178.2	-57.1	168.2	0	0	0	109.1	G372 V373 L374 F393 V634 E638	I370-G372 VanDerWaalsContact C-N 3.26Å; I370-G372 PolarHBondContact O-N 3.22Å; I370-V373 PolarHBondContact O-N 3.03Å; I370-L374 HydrophobicContact CG2-CD1 4.17Å; I370-L374 WeakPolarHBondContact O-CG 3.22Å; I370-L374 PolarHBondContact O-N 2.97Å; I370-L374 VanDerWaalsContact O-N 3.09Å; I370-F393 HydrophobicContact CG1-CE2 4.05Å; I370-V634 HydrophobicContact CB-CG1 4.07Å; I370-V634 HydrophobicContact CG2-CG1 3.85Å; I370-E638 WeakPolarHBondContact CB-OE1 3.43Å; I370-E638 WeakPolarHBondContact CD1-OE1 3.32Å; I370-E638 WeakPolarHBondContact CG1-OE1 3.27Å; I370-E638 PolarHBondContact N-OE1 3.41Å; I370-E638 VanDerWaalsContact N-OE1 3.1Å; I370-E638 PolarHBondContact N-OE2 2.85Å
371	G	94.2	Very high	92.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.2	-40.7	175.1	0	0	0	0	0	112.6	L374 F375 E638	G371-L374 PolarHBondContact O-N 2.66Å; G371-F375 WeakPolarHBondContact O-CB 3.23Å; G371-F375 PolarHBondContact O-N 3.42Å; G371-E638 PolarHBondContact N-OE2 3.29Å
372	G	95	Very high	91.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.5	-40.3	177.6	0	0	0	0	0	114.5	A359 A368 P369 I370 F375 S376	A359-G372 WeakPolarHBondContact CA-O 3.2Å; A368-G372 PolarHBondContact O-N 2.6Å; P369-G372 PolarHBondContact O-N 3.41Å; I370-G372 VanDerWaalsContact C-N 3.26Å; I370-G372 PolarHBondContact O-N 3.22Å; G372-F375 WeakPolarHBondContact O-CB 3.26Å; G372-F375 PolarHBondContact O-N 2.99Å; G372-S376 PolarHBondContact O-N 3.44Å
373	V	96.5	Very high	90.4	Very high	10 Å²	10	26.3 Å²	26.3	6%	0.061	13%	0.127	C	C	.	.	H	α-helix	trans	-66	-44.2	175.6	177.9	0	0	0	0	110.9	A359 P369 I370 F375 S376 L377 F384 M389 F393 A396	A359-V373 HydrophobicContact CB-CG2 4.2Å; P369-V373 WeakPolarHBondContact O-CG2 3.41Å; P369-V373 PolarHBondContact O-N 3.07Å; I370-V373 PolarHBondContact O-N 3.03Å; V373-F375 VanDerWaalsContact C-N 3.3Å; V373-F375 PolarHBondContact O-N 3.36Å; V373-S376 PolarHBondContact O-N 2.95Å; V373-L377 HydrophobicContact CG1-CD1 4.32Å; V373-L377 PolarHBondContact O-N 2.85Å; V373-F384 HydrophobicContact CG1-CZ 4.44Å; V373-M389 HydrophobicContact CG1-CG 4.35Å; V373-F393 HydrophobicContact CG2-CB 4.11Å; V373-F393 HydrophobicContact CG2-CD2 4.33Å; V373-A396 HydrophobicContact CG2-CB 4.15Å
374	L	95.5	Very high	89.8	Confident	49 Å²	49	27.7 Å²	27.7	26%	0.257	13%	0.133	S	C	.	.	H	α-helix	trans	-64.6	-36.4	176.7	-69.5	174	0	0	0	111.8	I370 G371 L377 E378 I630 V634	I370-L374 HydrophobicContact CG2-CD1 4.17Å; I370-L374 WeakPolarHBondContact O-CG 3.22Å; I370-L374 PolarHBondContact O-N 2.97Å; I370-L374 VanDerWaalsContact O-N 3.09Å; G371-L374 PolarHBondContact O-N 2.66Å; L374-L377 HydrophobicContact CD2-CD1 4.33Å; L374-L377 WeakPolarHBondContact O-CB 3.39Å; L374-L377 PolarHBondContact O-N 3.3Å; L374-E378 VanDerWaalsContact O-CB 3.27Å; L374-E378 WeakPolarHBondContact O-CB 3.25Å; L374-E378 PolarHBondContact O-N 3.24Å; L374-I630 HydrophobicContact CD1-CG2 4.34Å; L374-V634 HydrophobicContact CD1-CB 3.95Å; L374-V634 HydrophobicContact CD1-CG1 4.05Å; L374-V634 HydrophobicContact CD1-CG2 3.62Å
375	F	93.9	Very high	89.4	Confident	7 Å²	7	29.1 Å²	29.1	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-61.4	-44.8	173	179.1	-82.2	0	0	0	111.8	I281 V362 G371 G372 V373 L377 E378 E379 F566 M628	I281-F375 HydrophobicContact CD1-CZ 4.3Å; V362-F375 HydrophobicContact CG1-CB 4.15Å; V362-F375 HydrophobicContact CG1-CG 4.26Å; V362-F375 HydrophobicContact CG2-CB 4.34Å; V362-F375 HydrophobicContact CG2-CD1 3.48Å; V362-F375 VanDerWaalsContact CG2-CD1 3.48Å; V362-F375 HydrophobicContact CG2-CE1 3.82Å; V362-F375 HydrophobicContact CG2-CG 3.87Å; V362-F375 HydrophobicContact CG2-CZ 4.46Å; G371-F375 WeakPolarHBondContact O-CB 3.23Å; G371-F375 PolarHBondContact O-N 3.42Å; G372-F375 WeakPolarHBondContact O-CB 3.26Å; G372-F375 PolarHBondContact O-N 2.99Å; V373-F375 VanDerWaalsContact C-N 3.3Å; V373-F375 PolarHBondContact O-N 3.36Å; F375-L377 PolarHBondContact O-N 3.47Å; F375-E378 PolarHBondContact O-N 3.2Å; F375-E379 HydrophobicContact CE1-CB 4.24Å; F375-E379 HydrophobicContact CE1-CG 4.5Å; F375-E379 HydrophobicContact CE2-CB 4.28Å; F375-E379 HydrophobicContact CE2-CG 4.47Å; F375-E379 HydrophobicContact CZ-CB 4.1Å; F375-E379 HydrophobicContact CZ-CG 4.08Å; F375-E379 PolarHBondContact O-N 3.01Å; F375-F566 HydrophobicContact CE2-CE1 4.22Å; F375-F566 AromaticContact CE2-CZ 3.67Å; F375-F566 HydrophobicContact CE2-CZ 3.67Å; F375-F566 AromaticContact CZ-CZ 3.97Å; F375-F566 HydrophobicContact CZ-CZ 3.97Å; F375-M628 HydrophobicContact CD2-CE 3.97Å; F375-M628 HydrophobicContact CD2-SD 3.99Å; F375-M628 HydrophobicContact CE2-CE 3.15Å; F375-M628 HydrophobicContact CE2-SD 3.57Å; F375-M628 VanDerWaalsContact CE2-SD 3.57Å; F375-M628 HydrophobicContact CZ-CE 3.73Å
376	S	93.6	Very high	89.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	I	π-helix	trans	-63.4	-32.1	177.8	179.5	0	0	0	0	112.2	S355 G372 V373 S381	S355-S376 PolarHBondContact O-OG 3.29Å; S355-S376 VanDerWaalsContact O-OG 3.08Å; G372-S376 PolarHBondContact O-N 3.44Å; V373-S376 PolarHBondContact O-N 2.95Å; S376-S381 WeakPolarHBondContact O-CB 3.49Å; S376-S381 PolarHBondContact O-N 3.3Å; S376-S381 PolarHBondContact O-OG 3.31Å
377	L	91.2	Very high	89	Confident	58 Å²	58	41.5 Å²	41.5	30%	0.304	20%	0.199	S	C	.	.	I	π-helix	trans	-72.5	-45.5	175	-90.1	164.8	0	0	0	112.6	V373 L374 F375 F384	V373-L377 HydrophobicContact CG1-CD1 4.32Å; V373-L377 PolarHBondContact O-N 2.85Å; L374-L377 HydrophobicContact CD2-CD1 4.33Å; L374-L377 WeakPolarHBondContact O-CB 3.39Å; L374-L377 PolarHBondContact O-N 3.3Å; F375-L377 PolarHBondContact O-N 3.47Å; L377-F384 HydrophobicContact CD1-CD1 4.15Å; L377-F384 HydrophobicContact CD1-CE1 3.9Å; L377-F384 HydrophobicContact CD2-CB 3.45Å; L377-F384 VanDerWaalsContact CD2-CB 3.45Å; L377-F384 HydrophobicContact CD2-CD1 3.18Å; L377-F384 HydrophobicContact CD2-CD2 4.21Å; L377-F384 HydrophobicContact CD2-CE1 3.75Å; L377-F384 HydrophobicContact CD2-CG 3.39Å; L377-F384 HydrophobicContact CG-CB 4.48Å; L377-F384 HydrophobicContact CG-CD1 3.59Å; L377-F384 HydrophobicContact CG-CD2 4.41Å; L377-F384 HydrophobicContact CG-CE1 3.57Å; L377-F384 HydrophobicContact CG-CE2 4.48Å; L377-F384 HydrophobicContact CG-CG 3.96Å; L377-F384 HydrophobicContact CG-CZ 4.08Å
378	E	89.4	Confident	89.1	Confident	66 Å²	66	41.4 Å²	41.4	31%	0.308	20%	0.198	S	C	.	.	I	π-helix	trans	-79.7	-45	-173.1	-171.6	179.6	170.5	0	0	112.2	L374 F375 T629 I630 S631	L374-E378 VanDerWaalsContact O-CB 3.27Å; L374-E378 WeakPolarHBondContact O-CB 3.25Å; L374-E378 PolarHBondContact O-N 3.24Å; F375-E378 PolarHBondContact O-N 3.2Å; E378-T629 PolarHBondContact OE1-N 3.22Å; E378-T629 PolarHBondContact OE1-OG1 3.33Å; E378-I630 PolarHBondContact OE2-N 3.46Å; E378-S631 WeakPolarHBondContact OE2-CB 3.43Å; E378-S631 PolarHBondContact OE2-N 3.47Å; E378-S631 PolarHBondContact OE2-OG 3.39Å
379	E	86.5	Confident	89.1	Confident	18 Å²	18	43.7 Å²	43.7	8%	0.084	21%	0.209	C	C	.	.	I	π-helix	trans	-106.7	-37.6	-170.1	-174.9	65.5	-165.9	0	0	113.9	K285 F375 M628	K285-E379 WeakPolarHBondContact CD-O 3.5Å; K285-E379 VanDerWaalsContact CE-O 3.25Å; K285-E379 WeakPolarHBondContact CE-O 3.2Å; K285-E379 IonicContact NZ-OE1 3.6Å; K285-E379 PolarHBondContact NZ-OE1 3.15Å; K285-E379 IonicContact NZ-OE2 3.85Å; K285-E379 PolarHBondContact NZ-OE2 3.24Å; F375-E379 HydrophobicContact CE1-CB 4.24Å; F375-E379 HydrophobicContact CE1-CG 4.5Å; F375-E379 HydrophobicContact CE2-CB 4.28Å; F375-E379 HydrophobicContact CE2-CG 4.47Å; F375-E379 HydrophobicContact CZ-CB 4.1Å; F375-E379 HydrophobicContact CZ-CG 4.08Å; F375-E379 PolarHBondContact O-N 3.01Å; E379-M628 HydrophobicContact CB-CE 3.72Å; E379-M628 HydrophobicContact CG-CE 3.34Å
380	A	83	Confident	89.1	Confident	8 Å²	8	48 Å²	48	7%	0.066	23%	0.225	C	C	.	.	I	π-helix	trans	-91.6	-37.3	-168.3	0	0	0	0	0	113.7	L288	L288-A380 WeakPolarHBondContact CB-O 3.28Å; L288-A380 HydrophobicContact CD1-CB 3.86Å; L288-A380 VanDerWaalsContact CD1-O 3.3Å; L288-A380 WeakPolarHBondContact CD1-O 3.45Å
381	S	81.5	Confident	89	Confident	8 Å²	8	45.5 Å²	45.5	6%	0.056	21%	0.21	C	C	.	.			trans	-130.2	119.3	-165.5	-53.4	0	0	0	0	113.6	S355 S376	S355-S381 WeakPolarHBondContact CB-OG 3.47Å; S355-S381 PolarHBondContact OG-OG 2.97Å; S376-S381 WeakPolarHBondContact O-CB 3.49Å; S376-S381 PolarHBondContact O-N 3.3Å; S376-S381 PolarHBondContact O-OG 3.31Å
382	Y	74.5	Confident	89.1	Confident	73 Å²	73	45.5 Å²	45.5	29%	0.286	21%	0.21	S	C	.	.	S	Bend	trans	-71.7	-32.5	171.4	-56.1	-86.2	0	0	0	114.9	Y680 L681	Y382-Y680 HydrophobicContact CE2-CD2 4.49Å; Y382-Y680 AromaticContact CE2-CE2 3.55Å; Y382-Y680 HydrophobicContact CE2-CE2 3.55Å; Y382-Y680 AromaticContact CE2-CZ 3.87Å; Y382-Y680 AromaticContact CZ-CE2 3.56Å; Y382-Y680 AromaticContact CZ-CZ 3.4Å; Y382-Y680 VanDerWaalsContact OH-CE1 3.3Å; Y382-Y680 WeakPolarHBondContact OH-CE1 3.08Å; Y382-Y680 WeakPolarHBondContact OH-CE2 3.38Å; Y382-Y680 PolarHBondContact OH-OH 3.38Å; Y382-L681 PolarHBondContact OH-O 2.82Å
383	Y	75.1	Confident	89.2	Confident	129 Å²	129	49.8 Å²	49.8	51%	0.506	23%	0.229	S	C	.	.			trans	-117.7	119.4	-178.3	177.9	-99.4	0	0	0	108.1	R351 P385	R351-Y383 VanDerWaalsContact NH2-N 3.2Å; Y383-P385 HydrophobicContact CE1-CB 4.28Å; Y383-P385 HydrophobicContact CE1-CG 3.83Å
384	F	82.5	Confident	89.3	Confident	29 Å²	29	52 Å²	52	13%	0.127	24%	0.238	C	C	.	.			trans	-143.6	89	-174.4	-159.1	-96.9	0	0	0	110	V373 L377 T388 M389 S392	V373-F384 HydrophobicContact CG1-CZ 4.44Å; L377-F384 HydrophobicContact CD1-CD1 4.15Å; L377-F384 HydrophobicContact CD1-CE1 3.9Å; L377-F384 HydrophobicContact CD2-CB 3.45Å; L377-F384 VanDerWaalsContact CD2-CB 3.45Å; L377-F384 HydrophobicContact CD2-CD1 3.18Å; L377-F384 HydrophobicContact CD2-CD2 4.21Å; L377-F384 HydrophobicContact CD2-CE1 3.75Å; L377-F384 HydrophobicContact CD2-CG 3.39Å; L377-F384 HydrophobicContact CG-CB 4.48Å; L377-F384 HydrophobicContact CG-CD1 3.59Å; L377-F384 HydrophobicContact CG-CD2 4.41Å; L377-F384 HydrophobicContact CG-CE1 3.57Å; L377-F384 HydrophobicContact CG-CE2 4.48Å; L377-F384 HydrophobicContact CG-CG 3.96Å; L377-F384 HydrophobicContact CG-CZ 4.08Å; F384-T388 HydrophobicContact CD2-CG2 4.2Å; F384-T388 HydrophobicContact CE2-CG2 3.96Å; F384-T388 HydrophobicContact CZ-CG2 4.33Å; F384-M389 HydrophobicContact CD1-CB 3.82Å; F384-M389 HydrophobicContact CD1-CG 4.45Å; F384-M389 HydrophobicContact CE1-CB 3.37Å; F384-M389 HydrophobicContact CE1-CG 3.79Å; F384-M389 HydrophobicContact CZ-CB 4.41Å; F384-S392 VanDerWaalsContact CZ-OG 3.29Å; F384-S392 WeakPolarHBondContact CZ-OG 3.35Å
385	P	86.4	Confident	89.4	Confident	30 Å²	30	49.7 Å²	49.7	20%	0.195	23%	0.226	C	C	.	.			trans	-69.8	152.4	-177.2	28.9	-32.3	0	0	0	110.2	Y383 K387 T388 M389	Y383-P385 HydrophobicContact CE1-CB 4.28Å; Y383-P385 HydrophobicContact CE1-CG 3.83Å; P385-K387 PolarHBondContact O-N 3.06Å; P385-K387 VanDerWaalsContact O-N 3.11Å; P385-T388 VanDerWaalsContact CG-OG1 3.3Å; P385-T388 WeakPolarHBondContact CG-OG1 3.26Å; P385-T388 WeakPolarHBondContact O-CA 3.5Å; P385-T388 WeakPolarHBondContact O-CB 3.41Å; P385-T388 PolarHBondContact O-N 3.21Å; P385-M389 PolarHBondContact O-N 2.91Å
386	M	88.6	Confident	89.5	Confident	123 Å²	123	49.3 Å²	49.3	61%	0.606	22%	0.224	S	C	*	.	H	α-helix	trans	-54.1	-36.7	-176.9	-65.2	-63.4	-77.5	0	0	113.2	T388 M389 F390	M386-T388 VanDerWaalsContact C-N 3.3Å; M386-T388 PolarHBondContact O-N 2.84Å; M386-M389 HydrophobicContact CE-CE 3.3Å; M386-M389 WeakPolarHBondContact O-CB 3.38Å; M386-M389 PolarHBondContact O-N 3.4Å; M386-M389 VanDerWaalsContact O-N 3.15Å; M386-M389 HydrophobicContact SD-CE 3.6Å; M386-M389 VanDerWaalsContact SD-CE 3.6Å; M386-M389 HydrophobicContact SD-SD 4.35Å; M386-F390 WeakPolarHBondContact O-CD2 3.49Å; M386-F390 PolarHBondContact O-N 3.32Å; M386-F390 VanDerWaalsContact O-N 3.1Å
387	K	89.1	Confident	89.7	Confident	149 Å²	149	52.8 Å²	52.8	65%	0.648	24%	0.241	S	C	*	.	H	α-helix	trans	-61.5	-38.5	175.2	-66.8	-174	179.4	-176.5	0	112.1	P385 R391	P385-K387 PolarHBondContact O-N 3.06Å; P385-K387 VanDerWaalsContact O-N 3.11Å; K387-R391 WeakPolarHBondContact O-CG 3.26Å; K387-R391 PolarHBondContact O-N 3.41Å
388	T	91	Very high	90	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-71.2	-34.2	175.2	-58.8	0	0	0	0	111.3	E352 F384 P385 M386 R391 S392	E352-T388 HydrophobicContact CB-CG2 3.98Å; E352-T388 WeakPolarHBondContact CB-OG1 3.21Å; E352-T388 VanDerWaalsContact CG-OG1 3.25Å; E352-T388 WeakPolarHBondContact CG-OG1 3.39Å; E352-T388 WeakPolarHBondContact O-CG2 3.31Å; F384-T388 HydrophobicContact CD2-CG2 4.2Å; F384-T388 HydrophobicContact CE2-CG2 3.96Å; F384-T388 HydrophobicContact CZ-CG2 4.33Å; P385-T388 VanDerWaalsContact CG-OG1 3.3Å; P385-T388 WeakPolarHBondContact CG-OG1 3.26Å; P385-T388 WeakPolarHBondContact O-CA 3.5Å; P385-T388 WeakPolarHBondContact O-CB 3.41Å; P385-T388 PolarHBondContact O-N 3.21Å; M386-T388 VanDerWaalsContact C-N 3.3Å; M386-T388 PolarHBondContact O-N 2.84Å; T388-R391 PolarHBondContact O-N 3.44Å; T388-S392 VanDerWaalsContact O-CB 3.29Å; T388-S392 WeakPolarHBondContact O-CB 3.46Å; T388-S392 PolarHBondContact O-N 3.47Å; T388-S392 PolarHBondContact O-OG 2.88Å
389	M	93.8	Very high	90.3	Very high	48 Å²	48	47.6 Å²	47.6	24%	0.236	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-51.7	174.1	-175	-179.6	66.4	0	0	112.5	V373 F384 P385 M386 R391 S392 F393	V373-M389 HydrophobicContact CG1-CG 4.35Å; F384-M389 HydrophobicContact CD1-CB 3.82Å; F384-M389 HydrophobicContact CD1-CG 4.45Å; F384-M389 HydrophobicContact CE1-CB 3.37Å; F384-M389 HydrophobicContact CE1-CG 3.79Å; F384-M389 HydrophobicContact CZ-CB 4.41Å; P385-M389 PolarHBondContact O-N 2.91Å; M386-M389 HydrophobicContact CE-CE 3.3Å; M386-M389 WeakPolarHBondContact O-CB 3.38Å; M386-M389 PolarHBondContact O-N 3.4Å; M386-M389 VanDerWaalsContact O-N 3.15Å; M386-M389 HydrophobicContact SD-CE 3.6Å; M386-M389 VanDerWaalsContact SD-CE 3.6Å; M386-M389 HydrophobicContact SD-SD 4.35Å; M389-R391 VanDerWaalsContact C-N 3.32Å; M389-R391 PolarHBondContact O-N 2.96Å; M389-S392 PolarHBondContact O-N 3.37Å; M389-S392 VanDerWaalsContact O-N 3.16Å; M389-F393 PolarHBondContact O-N 3.46Å
390	F	94.1	Very high	90.7	Very high	120 Å²	120	47 Å²	47	53%	0.526	22%	0.215	S	C	.	.	H	α-helix	trans	-62.4	-39.6	178.1	-71.6	-65.9	0	0	0	112.5	W170 M386 F393 F394	W170-F390 HydrophobicContact CH2-CB 4.48Å; M386-F390 WeakPolarHBondContact O-CD2 3.49Å; M386-F390 PolarHBondContact O-N 3.32Å; M386-F390 VanDerWaalsContact O-N 3.1Å; F390-F393 PolarHBondContact O-N 3.04Å; F390-F394 WeakPolarHBondContact O-CB 3.49Å; F390-F394 PolarHBondContact O-N 3.2Å
391	R	94.8	Very high	91.2	Very high	29 Å²	29	50.4 Å²	50.4	11%	0.109	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-42.2	173.6	-74.1	178.5	-172.8	155.7	2.6	112.2	V173 E352 K387 T388 M389 F393 F394 C395	V173-R391 VanDerWaalsContact CG1-O 3.31Å; V173-R391 WeakPolarHBondContact CG1-O 3.45Å; V173-R391 HydrophobicContact CG2-CB 4.3Å; E352-R391 IonicContact OE2-NH1 2.65Å; E352-R391 PolarHBondContact OE2-NH1 2.92Å; K387-R391 WeakPolarHBondContact O-CG 3.26Å; K387-R391 PolarHBondContact O-N 3.41Å; T388-R391 PolarHBondContact O-N 3.44Å; M389-R391 VanDerWaalsContact C-N 3.32Å; M389-R391 PolarHBondContact O-N 2.96Å; R391-F393 VanDerWaalsContact C-N 3.34Å; R391-F393 PolarHBondContact O-N 3.29Å; R391-F394 PolarHBondContact O-N 2.9Å; R391-C395 WeakPolarHBondContact O-CB 3.36Å; R391-C395 PolarHBondContact O-N 3.01Å
392	S	96.4	Very high	91.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-42.7	178.6	-57	0	0	0	0	111.1	A356 F384 T388 M389 C395 A396	A356-S392 VanDerWaalsContact CA-OG 3.27Å; A356-S392 WeakPolarHBondContact CA-OG 3.43Å; A356-S392 WeakPolarHBondContact CB-OG 3.44Å; F384-S392 VanDerWaalsContact CZ-OG 3.29Å; F384-S392 WeakPolarHBondContact CZ-OG 3.35Å; T388-S392 VanDerWaalsContact O-CB 3.29Å; T388-S392 WeakPolarHBondContact O-CB 3.46Å; T388-S392 PolarHBondContact O-N 3.47Å; T388-S392 PolarHBondContact O-OG 2.88Å; M389-S392 PolarHBondContact O-N 3.37Å; M389-S392 VanDerWaalsContact O-N 3.16Å; S392-C395 WeakPolarHBondContact O-CB 3.39Å; S392-C395 PolarHBondContact O-N 2.95Å; S392-A396 WeakPolarHBondContact O-CB 3.45Å; S392-A396 PolarHBondContact O-N 3.26Å
393	F	96.7	Very high	92.7	Very high	90 Å²	90	47.6 Å²	47.6	40%	0.395	22%	0.222	S	C	.	.	H	α-helix	trans	-60.4	-46.5	174.1	-177.9	-100.7	0	0	0	112	I370 V373 M389 F390 R391 C395 A396 M397	I370-F393 HydrophobicContact CG1-CE2 4.05Å; V373-F393 HydrophobicContact CG2-CB 4.11Å; V373-F393 HydrophobicContact CG2-CD2 4.33Å; M389-F393 PolarHBondContact O-N 3.46Å; F390-F393 PolarHBondContact O-N 3.04Å; R391-F393 VanDerWaalsContact C-N 3.34Å; R391-F393 PolarHBondContact O-N 3.29Å; F393-C395 PolarHBondContact O-N 3.13Å; F393-A396 PolarHBondContact O-N 2.98Å; F393-M397 WeakPolarHBondContact O-CB 3.22Å; F393-M397 PolarHBondContact O-N 3.5Å
394	F	97.3	Very high	93.4	Very high	56 Å²	56	48.5 Å²	48.5	25%	0.246	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-44.1	175.3	-179.2	-102.2	0	0	0	112.5	W170 V173 L174 F390 R391 A396 M397 V398	W170-F394 HydrophobicContact CE3-CB 4.35Å; W170-F394 AromaticContact CE3-CD1 3.84Å; W170-F394 HydrophobicContact CE3-CD1 3.84Å; W170-F394 HydrophobicContact CE3-CE1 4.26Å; W170-F394 HydrophobicContact CE3-CG 4Å; W170-F394 HydrophobicContact CZ3-CB 3.7Å; W170-F394 HydrophobicContact CZ3-CD1 4.04Å; W170-F394 HydrophobicContact CZ3-CD2 4.21Å; W170-F394 AromaticContact CZ3-CG 3.72Å; W170-F394 HydrophobicContact CZ3-CG 3.72Å; V173-F394 HydrophobicContact CG1-CD1 4.18Å; L174-F394 HydrophobicContact CB-CE1 4.09Å; L174-F394 HydrophobicContact CD1-CE1 3.98Å; L174-F394 HydrophobicContact CD1-CZ 3.86Å; F390-F394 WeakPolarHBondContact O-CB 3.49Å; F390-F394 PolarHBondContact O-N 3.2Å; R391-F394 PolarHBondContact O-N 2.9Å; F394-A396 PolarHBondContact O-N 3.07Å; F394-M397 HydrophobicContact CD2-CE 3.89Å; F394-M397 HydrophobicContact CE2-CE 4.18Å; F394-M397 PolarHBondContact O-N 2.96Å; F394-V398 HydrophobicContact CD1-CG2 4.35Å; F394-V398 HydrophobicContact CD2-CG2 4.44Å; F394-V398 HydrophobicContact CE1-CG2 4Å; F394-V398 HydrophobicContact CE2-CG2 4.09Å; F394-V398 HydrophobicContact CZ-CG2 3.86Å; F394-V398 VanDerWaalsContact O-CG2 3.27Å; F394-V398 WeakPolarHBondContact O-CG2 3.39Å; F394-V398 PolarHBondContact O-N 3.37Å
395	C	97.6	Very high	93.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-55.5	-52.2	175	-156.7	0	0	0	0	111.8	V173 A356 A360 R391 S392 F393 V398 S399	V173-C395 HydrophobicContact CG1-CB 3.29Å; A356-C395 HydrophobicContact CB-CB 4.36Å; A360-C395 HydrophobicContact CB-CB 4.25Å; A360-C395 VanDerWaalsContact CB-SG 3.59Å; R391-C395 WeakPolarHBondContact O-CB 3.36Å; R391-C395 PolarHBondContact O-N 3.01Å; S392-C395 WeakPolarHBondContact O-CB 3.39Å; S392-C395 PolarHBondContact O-N 2.95Å; F393-C395 PolarHBondContact O-N 3.13Å; C395-V398 PolarHBondContact O-N 3.09Å; C395-S399 WeakPolarHBondContact O-CB 3.38Å; C395-S399 PolarHBondContact O-N 3.28Å; C395-S399 PolarHBondContact O-OG 3.22Å
396	A	97.5	Very high	94.1	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-47.1	-178.9	0	0	0	0	0	111	A363 P369 V373 S392 F393 F394 V398 S399 A400	A363-A396 HydrophobicContact CB-CB 3.71Å; P369-A396 HydrophobicContact CB-CB 4.12Å; V373-A396 HydrophobicContact CG2-CB 4.15Å; S392-A396 WeakPolarHBondContact O-CB 3.45Å; S392-A396 PolarHBondContact O-N 3.26Å; F393-A396 PolarHBondContact O-N 2.98Å; F394-A396 PolarHBondContact O-N 3.07Å; A396-V398 PolarHBondContact O-N 3.47Å; A396-S399 WeakPolarHBondContact CA-OG 3.36Å; A396-S399 PolarHBondContact O-N 3.39Å; A396-S399 PolarHBondContact O-OG 3.41Å; A396-A400 WeakPolarHBondContact O-CB 3.5Å; A396-A400 PolarHBondContact O-N 2.75Å
397	M	96	Very high	94	Very high	72 Å²	72	52.2 Å²	52.2	36%	0.355	25%	0.245	S	C	.	.	H	α-helix	trans	-59.4	-46.1	176.9	-177.4	-174.2	73.2	0	0	112.1	F393 F394 N401	F393-M397 WeakPolarHBondContact O-CB 3.22Å; F393-M397 PolarHBondContact O-N 3.5Å; F394-M397 HydrophobicContact CD2-CE 3.89Å; F394-M397 HydrophobicContact CE2-CE 4.18Å; F394-M397 PolarHBondContact O-N 2.96Å; M397-N401 WeakPolarHBondContact CG-ND2 3.5Å; M397-N401 WeakPolarHBondContact O-CB 3.41Å; M397-N401 PolarHBondContact O-N 2.9Å; M397-N401 PolarHBondContact O-ND2 3.22Å
398	V	97.5	Very high	93.7	Very high	16 Å²	16	45.4 Å²	45.4	10%	0.097	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-46.8	177.7	171	0	0	0	0	110.2	L174 L178 F394 C395 A396 A400 N401 V402	L174-V398 HydrophobicContact CD1-CG1 4.21Å; L174-V398 HydrophobicContact CD1-CG2 4.03Å; L178-V398 HydrophobicContact CD2-CG1 3.78Å; L178-V398 HydrophobicContact CG-CG1 3.95Å; F394-V398 HydrophobicContact CD1-CG2 4.35Å; F394-V398 HydrophobicContact CD2-CG2 4.44Å; F394-V398 HydrophobicContact CE1-CG2 4Å; F394-V398 HydrophobicContact CE2-CG2 4.09Å; F394-V398 HydrophobicContact CZ-CG2 3.86Å; F394-V398 VanDerWaalsContact O-CG2 3.27Å; F394-V398 WeakPolarHBondContact O-CG2 3.39Å; F394-V398 PolarHBondContact O-N 3.37Å; C395-V398 PolarHBondContact O-N 3.09Å; A396-V398 PolarHBondContact O-N 3.47Å; V398-A400 PolarHBondContact O-N 2.81Å; V398-N401 PolarHBondContact O-N 2.76Å; V398-V402 WeakPolarHBondContact O-CG2 3.36Å; V398-V402 PolarHBondContact O-N 2.77Å
399	S	97	Very high	93.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-41.7	-179.5	70.1	0	0	0	0	113.1	G177 V364 C395 A396 V402 L403	G177-S399 VanDerWaalsContact O-CA 3.3Å; G177-S399 WeakPolarHBondContact O-CA 3.49Å; G177-S399 VanDerWaalsContact O-CB 3.31Å; G177-S399 WeakPolarHBondContact O-CB 3.44Å; V364-S399 VanDerWaalsContact CG1-CB 3.49Å; C395-S399 WeakPolarHBondContact O-CB 3.38Å; C395-S399 PolarHBondContact O-N 3.28Å; C395-S399 PolarHBondContact O-OG 3.22Å; A396-S399 WeakPolarHBondContact CA-OG 3.36Å; A396-S399 PolarHBondContact O-N 3.39Å; A396-S399 PolarHBondContact O-OG 3.41Å; S399-V402 PolarHBondContact O-N 3.27Å; S399-L403 PolarHBondContact O-N 3.31Å; S399-L403 VanDerWaalsContact O-N 3.13Å
400	A	93.7	Very high	92.1	Very high	6 Å²	6	46.2 Å²	46.2	5%	0.05	23%	0.229	C	C	.	.	H	α-helix	trans	-68.3	-40.4	176.5	0	0	0	0	0	112	P369 A396 V398 V402 L403 R404 M414	P369-A400 HydrophobicContact CB-CB 4.46Å; A396-A400 WeakPolarHBondContact O-CB 3.5Å; A396-A400 PolarHBondContact O-N 2.75Å; V398-A400 PolarHBondContact O-N 2.81Å; A400-V402 PolarHBondContact O-N 3.31Å; A400-L403 PolarHBondContact O-N 3.03Å; A400-R404 WeakPolarHBondContact O-CB 3.46Å; A400-R404 PolarHBondContact O-N 3.35Å; A400-M414 HydrophobicContact CB-SD 4.34Å
401	N	93.8	Very high	91	Very high	78 Å²	78	42.4 Å²	42.4	42%	0.417	22%	0.217	S	C	.	.	H	α-helix	trans	-63.4	-40.7	175.3	-86.4	-72.9	0	0	0	112.1	M397 V398 L403 R404 I405	M397-N401 WeakPolarHBondContact CG-ND2 3.5Å; M397-N401 WeakPolarHBondContact O-CB 3.41Å; M397-N401 PolarHBondContact O-N 2.9Å; M397-N401 PolarHBondContact O-ND2 3.22Å; V398-N401 PolarHBondContact O-N 2.76Å; N401-L403 VanDerWaalsContact C-N 3.33Å; N401-L403 PolarHBondContact O-N 3.4Å; N401-R404 PolarHBondContact O-N 2.95Å; N401-I405 WeakPolarHBondContact O-CB 3.2Å; N401-I405 VanDerWaalsContact O-CG1 3.23Å; N401-I405 WeakPolarHBondContact O-CG1 3.41Å; N401-I405 PolarHBondContact O-N 3.46Å
402	V	95.6	Very high	90.1	Very high	23 Å²	23	47.4 Å²	47.4	14%	0.139	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-45.6	175.2	169.8	0	0	0	0	110.8	L178 V398 S399 A400 R404 I405 L406	L178-V402 HydrophobicContact CD2-CG2 3.52Å; V398-V402 WeakPolarHBondContact O-CG2 3.36Å; V398-V402 PolarHBondContact O-N 2.77Å; S399-V402 PolarHBondContact O-N 3.27Å; A400-V402 PolarHBondContact O-N 3.31Å; V402-R404 VanDerWaalsContact C-N 3.33Å; V402-R404 PolarHBondContact O-N 2.93Å; V402-I405 PolarHBondContact O-N 3.27Å; V402-L406 HydrophobicContact CG1-CD1 3.8Å; V402-L406 HydrophobicContact CG1-CG 4.43Å; V402-L406 WeakPolarHBondContact O-CB 3.44Å; V402-L406 WeakPolarHBondContact O-CG 3.25Å; V402-L406 PolarHBondContact O-N 2.98Å
403	L	91.6	Very high	89.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.2	-42.8	177.2	-172.6	63.2	0	0	0	111.7	C185 V364 S399 A400 N401 L406 N407 P408	C185-L403 HydrophobicContact CB-CD1 4.07Å; V364-L403 HydrophobicContact CB-CD2 4.32Å; V364-L403 WeakPolarHBondContact O-CD2 3.41Å; S399-L403 PolarHBondContact O-N 3.31Å; S399-L403 VanDerWaalsContact O-N 3.13Å; A400-L403 PolarHBondContact O-N 3.03Å; N401-L403 VanDerWaalsContact C-N 3.33Å; N401-L403 PolarHBondContact O-N 3.4Å; L403-L406 PolarHBondContact O-N 3.26Å; L403-N407 PolarHBondContact O-N 3.35Å; L403-P408 HydrophobicContact CD1-CG 3.93Å
404	R	90.5	Very high	88	Confident	148 Å²	148	48.3 Å²	48.3	56%	0.558	25%	0.254	S	S	*	.	H	α-helix	trans	-62.2	-43.4	175.8	-176.2	-178.8	173.8	123.4	4.4	112.6	A400 N401 V402 N407 M414	A400-R404 WeakPolarHBondContact O-CB 3.46Å; A400-R404 PolarHBondContact O-N 3.35Å; N401-R404 PolarHBondContact O-N 2.95Å; V402-R404 VanDerWaalsContact C-N 3.33Å; V402-R404 PolarHBondContact O-N 2.93Å; R404-N407 PolarHBondContact O-N 3.16Å; R404-M414 HydrophobicContact CB-CG 4.1Å; R404-M414 HydrophobicContact CB-SD 4.5Å
405	I	93.1	Very high	86.9	Confident	138 Å²	138	46.1 Å²	46.1	71%	0.708	25%	0.245	S	C	*	.	H	α-helix	trans	-66.3	-40.6	179.7	-70.7	164.4	0	0	0	110.9	N401 V402 N407	N401-I405 WeakPolarHBondContact O-CB 3.2Å; N401-I405 VanDerWaalsContact O-CG1 3.23Å; N401-I405 WeakPolarHBondContact O-CG1 3.41Å; N401-I405 PolarHBondContact O-N 3.46Å; V402-I405 PolarHBondContact O-N 3.27Å; I405-N407 VanDerWaalsContact C-N 3.3Å
406	L	91	Very high	85.2	Confident	77 Å²	77	47.8 Å²	47.8	40%	0.403	25%	0.253	S	S	.	.	H	α-helix	trans	-74.2	-23.3	180	-67.9	172.4	0	0	0	112.9	F182 C185 V402 L403	F182-L406 HydrophobicContact CD2-CD1 4.09Å; C185-L406 HydrophobicContact CB-CB 4.39Å; C185-L406 HydrophobicContact CB-CD1 3.77Å; V402-L406 HydrophobicContact CG1-CD1 3.8Å; V402-L406 HydrophobicContact CG1-CG 4.43Å; V402-L406 WeakPolarHBondContact O-CB 3.44Å; V402-L406 WeakPolarHBondContact O-CG 3.25Å; V402-L406 PolarHBondContact O-N 2.98Å; L403-L406 PolarHBondContact O-N 3.26Å
407	N	87	Confident	83.9	Confident	44 Å²	44	48.7 Å²	48.7	24%	0.235	26%	0.257	C	S	.	.			trans	41.3	71.8	176.4	-172.8	-0.1	0	0	0	113.5	L403 R404 I405 Y409 G410 S411	L403-N407 PolarHBondContact O-N 3.35Å; R404-N407 PolarHBondContact O-N 3.16Å; I405-N407 VanDerWaalsContact C-N 3.3Å; N407-Y409 PolarHBondContact O-N 3.1Å; N407-Y409 VanDerWaalsContact O-N 3.15Å; N407-G410 PolarHBondContact O-N 2.97Å; N407-G410 WeakPolarHBondContact OD1-CA 3.36Å; N407-G410 PolarHBondContact OD1-N 2.92Å; N407-S411 VanDerWaalsContact CG-O 3.27Å; N407-S411 PolarHBondContact ND2-O 2.87Å; N407-S411 PolarHBondContact OD1-N 3.25Å; N407-S411 VanDerWaalsContact OD1-N 3.12Å; N407-S411 PolarHBondContact OD1-O 2.83Å
408	P	82.4	Confident	82.9	Confident	7 Å²	7	48.9 Å²	48.9	5%	0.045	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.2	-173.9	24.3	-33.8	0	0	0	114.3	D188 I189 L403	D188-P408 HydrophobicContact CB-CB 4.16Å; D188-P408 HydrophobicContact CB-CG 4.36Å; I189-P408 HydrophobicContact CD1-CB 4.21Å; I189-P408 HydrophobicContact CG1-CB 3.74Å; L403-P408 HydrophobicContact CD1-CG 3.93Å
409	Y	76.8	Confident	81.6	Confident	26 Å²	26	49.2 Å²	49.2	10%	0.102	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-5.1	-175.4	-56.7	-70	0	0	0	113.2	D188 T192 K321 N407 S411 M416	D188-Y409 PolarHBondContact OD2-OH 2.93Å; T192-Y409 HydrophobicContact CG2-CE1 4.09Å; K321-Y409 PolarHBondContact NZ-OH 3.1Å; K321-Y409 VanDerWaalsContact NZ-OH 3.13Å; N407-Y409 PolarHBondContact O-N 3.1Å; N407-Y409 VanDerWaalsContact O-N 3.15Å; Y409-S411 PolarHBondContact O-N 3.23Å; Y409-S411 VanDerWaalsContact O-N 3.14Å; Y409-M416 HydrophobicContact CE1-CB 4.36Å
410	G	74.3	Confident	80.2	Confident	41 Å²	41	53.3 Å²	53.3	42%	0.423	28%	0.278	S	S	.	.	S	Bend	trans	67.5	4.8	-170.2	0	0	0	0	0	113.9	N407	N407-G410 PolarHBondContact O-N 2.97Å; N407-G410 WeakPolarHBondContact OD1-CA 3.36Å; N407-G410 PolarHBondContact OD1-N 2.92Å
411	S	71.1	Confident	79.1	Confident	39 Å²	39	53.3 Å²	53.3	27%	0.273	28%	0.277	S	S	.	.	S	Bend	trans	-103.7	139.4	173.4	69.3	0	0	0	0	109.4	N407 Y409 N413	N407-S411 VanDerWaalsContact CG-O 3.27Å; N407-S411 PolarHBondContact ND2-O 2.87Å; N407-S411 PolarHBondContact OD1-N 3.25Å; N407-S411 VanDerWaalsContact OD1-N 3.12Å; N407-S411 PolarHBondContact OD1-O 2.83Å; Y409-S411 PolarHBondContact O-N 3.23Å; Y409-S411 VanDerWaalsContact O-N 3.14Å; S411-N413 PolarHBondContact O-N 2.88Å; S411-N413 PolarHBondContact OG-O 2.87Å
412	D	74.8	Confident	77.7	Confident	134 Å²	134	56.6 Å²	56.6	72%	0.717	29%	0.29	S	S	*	.	S	Bend	trans	-59.6	-1.6	176.6	-77	-18.9	0	0	0	114.6
413	N	76.6	Confident	76.3	Confident	59 Å²	59	56 Å²	56	32%	0.316	29%	0.288	S	S	.	.	S	Bend	trans	-90.1	137.2	175.8	-56.5	-32.5	0	0	0	111.7	S411 I415 Y418	S411-N413 PolarHBondContact O-N 2.88Å; S411-N413 PolarHBondContact OG-O 2.87Å; N413-I415 PolarHBondContact O-N 3.32Å; N413-Y418 HydrophobicContact CB-CD1 4.43Å; N413-Y418 HydrophobicContact CB-CG 4.18Å; N413-Y418 VanDerWaalsContact CG-CD1 3.47Å; N413-Y418 WeakPolarHBondContact ND2-CD1 3.46Å; N413-Y418 WeakPolarHBondContact OD1-CD1 2.83Å
414	M	71.9	Confident	75.4	Confident	50 Å²	50	61.7 Å²	61.7	25%	0.246	31%	0.314	C	S	.	.	S	Bend	trans	-69.6	-21.4	-179.5	-64.3	171.6	-72.2	0	0	113.5	G367 A400 R404	G367-M414 WeakPolarHBondContact O-CE 3.42Å; A400-M414 HydrophobicContact CB-SD 4.34Å; R404-M414 HydrophobicContact CB-CG 4.1Å; R404-M414 HydrophobicContact CB-SD 4.5Å
415	I	76.1	Confident	75	Confident	11 Å²	11	57.2 Å²	57.2	6%	0.056	30%	0.297	C	S	.	.	S	Bend	trans	-137.2	150.6	-176.2	57.8	111.2	0	0	0	111	F366 N413 F417 L639	F366-I415 VanDerWaalsContact C-CG2 3.46Å; N413-I415 PolarHBondContact O-N 3.32Å; I415-F417 VanDerWaalsContact C-N 3.29Å; I415-F417 HydrophobicContact CB-CE1 4.5Å; I415-F417 HydrophobicContact CD1-CB 4.45Å; I415-F417 HydrophobicContact CD1-CD1 3.83Å; I415-F417 HydrophobicContact CD1-CD2 3.53Å; I415-F417 HydrophobicContact CD1-CE1 3.85Å; I415-F417 HydrophobicContact CD1-CE2 3.56Å; I415-F417 HydrophobicContact CD1-CG 3.67Å; I415-F417 HydrophobicContact CD1-CZ 3.72Å; I415-F417 PolarHBondContact O-N 2.87Å; I415-L639 HydrophobicContact CD1-CD2 3.23Å; I415-L639 HydrophobicContact CG1-CD2 3.59Å
416	M	61.9	Low	74.6	Confident	34 Å²	34	52.3 Å²	52.3	17%	0.167	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.3	-170.6	-165.9	-179.7	-170.2	0	0	114.9	Y409 E494 K497	Y409-M416 HydrophobicContact CE1-CB 4.36Å; M416-E494 HydrophobicContact CE-CB 4.14Å; M416-E494 HydrophobicContact CE-CG 4.23Å; M416-E494 HydrophobicContact SD-CB 4.48Å; M416-K497 VanDerWaalsContact O-CD 3.29Å; M416-K497 WeakPolarHBondContact O-CD 3.4Å
417	F	69.3	Low	74.4	Confident	20 Å²	20	53.6 Å²	53.6	9%	0.088	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	23.5	-173.5	59.1	-90.7	0	0	0	114.2	I415 I496 K497 I567 L639	I415-F417 VanDerWaalsContact C-N 3.29Å; I415-F417 HydrophobicContact CB-CE1 4.5Å; I415-F417 HydrophobicContact CD1-CB 4.45Å; I415-F417 HydrophobicContact CD1-CD1 3.83Å; I415-F417 HydrophobicContact CD1-CD2 3.53Å; I415-F417 HydrophobicContact CD1-CE1 3.85Å; I415-F417 HydrophobicContact CD1-CE2 3.56Å; I415-F417 HydrophobicContact CD1-CG 3.67Å; I415-F417 HydrophobicContact CD1-CZ 3.72Å; I415-F417 PolarHBondContact O-N 2.87Å; F417-I496 HydrophobicContact CB-CB 4.43Å; F417-I496 HydrophobicContact CB-CG2 4.01Å; F417-I496 HydrophobicContact CD2-CG2 4.03Å; F417-I496 HydrophobicContact CG-CG2 4.02Å; F417-K497 HydrophobicContact CB-CB 4.08Å; F417-I567 HydrophobicContact CE1-CD1 4.03Å; F417-I567 HydrophobicContact CZ-CD1 4.3Å; F417-L639 HydrophobicContact CE2-CD1 3.85Å; F417-L639 HydrophobicContact CE2-CD2 3.89Å; F417-L639 HydrophobicContact CE2-CG 4.46Å; F417-L639 HydrophobicContact CZ-CD1 4.43Å; F417-L639 HydrophobicContact CZ-CD2 4.26Å
418	Y	74.7	Confident	74.3	Confident	75 Å²	75	55.9 Å²	55.9	29%	0.294	29%	0.292	S	S	.	.			trans	-62.5	133.8	171.4	177.3	-90.2	0	0	0	110.7	N413 D420 L639	N413-Y418 HydrophobicContact CB-CD1 4.43Å; N413-Y418 HydrophobicContact CB-CG 4.18Å; N413-Y418 VanDerWaalsContact CG-CD1 3.47Å; N413-Y418 WeakPolarHBondContact ND2-CD1 3.46Å; N413-Y418 WeakPolarHBondContact OD1-CD1 2.83Å; Y418-D420 HydrophobicContact CE1-CB 4.25Å; Y418-L639 WeakPolarHBondContact CD2-O 3.04Å
419	V	69.4	Low	74.7	Confident	24 Å²	24	55.8 Å²	55.8	15%	0.145	29%	0.291	C	S	.	.			trans	-139.7	123	177	-175.4	0	0	0	0	110.2	Y421 V500 T640	V419-Y421 HydrophobicContact CB-CD2 4.09Å; V419-Y421 HydrophobicContact CB-CE2 3.65Å; V419-Y421 HydrophobicContact CG1-CD2 3.64Å; V419-Y421 HydrophobicContact CG1-CE2 3.23Å; V419-Y421 HydrophobicContact CG1-CG 4.49Å; V419-V500 HydrophobicContact CB-CG1 3.98Å; V419-V500 HydrophobicContact CG1-CG1 4.42Å; V419-V500 HydrophobicContact CG2-CB 4.2Å; V419-V500 HydrophobicContact CG2-CG1 3.65Å; V419-T640 VanDerWaalsContact O-O 3.14Å
420	D	69.6	Low	75.4	Confident	86 Å²	86	56.4 Å²	56.4	46%	0.46	30%	0.296	S	S	.	.			trans	-82.2	121.5	173.3	-174.4	-1.7	0	0	0	110.2	Y418	Y418-D420 HydrophobicContact CE1-CB 4.25Å
421	Y	68.9	Low	76.4	Confident	5 Å²	5	60.5 Å²	60.5	2%	0.02	31%	0.307	C	S	.	.			trans	-116.7	117.2	176.1	-75.3	-96.7	0	0	0	112.8	V419 V500 R502 G611 L612 M615 Y645	V419-Y421 HydrophobicContact CB-CD2 4.09Å; V419-Y421 HydrophobicContact CB-CE2 3.65Å; V419-Y421 HydrophobicContact CG1-CD2 3.64Å; V419-Y421 HydrophobicContact CG1-CE2 3.23Å; V419-Y421 HydrophobicContact CG1-CG 4.49Å; Y421-V500 HydrophobicContact CE2-CG1 3.78Å; Y421-V500 WeakPolarHBondContact OH-CG1 3.46Å; Y421-V500 PolarHBondContact OH-O 2.98Å; Y421-R502 VanDerWaalsContact CA-NH2 3.26Å; Y421-R502 VanDerWaalsContact CD1-NH2 3.3Å; Y421-R502 HydrophobicContact CE1-CG 4.23Å; Y421-G611 WeakPolarHBondContact OH-CA 3.48Å; Y421-G611 PolarHBondContact OH-O 3.18Å; Y421-L612 PolarHBondContact OH-N 3.18Å; Y421-M615 HydrophobicContact CD2-CE 3.46Å; Y421-M615 VanDerWaalsContact CD2-CE 3.46Å; Y421-M615 HydrophobicContact CD2-SD 3.97Å; Y421-M615 HydrophobicContact CE1-CE 4.42Å; Y421-M615 HydrophobicContact CE2-CE 3.22Å; Y421-M615 HydrophobicContact CE2-CG 4.48Å; Y421-M615 HydrophobicContact CE2-SD 3.38Å; Y421-M615 WeakPolarHBondContact CE2-SD 3.33Å; Y421-M615 HydrophobicContact CG-CE 4.15Å; Y421-Y645 VanDerWaalsContact CB-OH 3.25Å; Y421-Y645 WeakPolarHBondContact CB-OH 3.33Å; Y421-Y645 HydrophobicContact CG-CE2 4.47Å; Y421-Y645 PolarHBondContact O-OH 3Å
422	Q	64.5	Low	77.5	Confident	148 Å²	148	59.7 Å²	59.7	69%	0.692	30%	0.301	S	S	*	.			trans	-101.3	20.7	173.3	-60.3	-171.6	-14.9	0	0	114.9
423	A	66.6	Low	78.5	Confident	11 Å²	11	53.3 Å²	53.3	9%	0.091	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-97.4	136.4	-175.8	0	0	0	0	0	112.2	Y645	A423-Y645 PolarHBondContact N-OH 2.92Å; A423-Y645 WeakPolarHBondContact O-CE1 3.47Å; A423-Y645 PolarHBondContact O-OH 3.3Å
424	Q	71.8	Confident	79.5	Confident	118 Å²	118	52 Å²	52	55%	0.551	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-82.1	132.7	174.1	-63.3	-171.7	-16.5	0	0	110.1
425	W	82.9	Confident	80.7	Confident	54 Å²	54	53.1 Å²	53.1	21%	0.205	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-88.9	155	173.9	61.8	-87.4	0	0	0	110.8	L430 L612 N644 Y645 I647 P648	W425-L430 HydrophobicContact CH2-CD1 4.4Å; W425-L430 HydrophobicContact CZ3-CD1 3.92Å; W425-L430 HydrophobicContact CZ3-CD2 4.44Å; W425-L430 HydrophobicContact CZ3-CG 3.96Å; W425-L612 HydrophobicContact CB-CD2 4.1Å; W425-N644 PolarHBondContact NE1-O 2.85Å; W425-Y645 AromaticContact CD1-CD1 3.86Å; W425-I647 HydrophobicContact CH2-CB 4.11Å; W425-I647 HydrophobicContact CH2-CD1 4.34Å; W425-I647 HydrophobicContact CH2-CG2 4.04Å; W425-I647 HydrophobicContact CZ2-CB 3.93Å; W425-I647 HydrophobicContact CZ2-CD1 4.16Å; W425-I647 HydrophobicContact CZ2-CG2 4.39Å; W425-P648 HydrophobicContact CD2-CG 3.78Å; W425-P648 HydrophobicContact CE3-CG 4.09Å; W425-P648 HydrophobicContact CG-CG 4.12Å; W425-P648 HydrophobicContact CZ2-CG 4.29Å; W425-P648 HydrophobicContact CZ3-CG 4.48Å
426	H	85	Confident	81.7	Confident	36 Å²	36	52.7 Å²	52.7	17%	0.167	27%	0.268	C	S	.	.			trans	-104.6	147.1	-179	-60.7	-64.5	0	0	0	112.2	M428 E429 M600	H426-M428 PolarHBondContact O-N 3.2Å; H426-M428 VanDerWaalsContact O-N 3.11Å; H426-E429 HydrophobicContact CB-CG 4.26Å; H426-E429 IonicContact CD2-OE1 3.59Å; H426-E429 IonicContact CG-OE1 3.92Å; H426-E429 PolarHBondContact N-OE1 2.66Å; H426-E429 VanDerWaalsContact O-CB 3.28Å; H426-E429 WeakPolarHBondContact O-CB 3.05Å; H426-E429 PolarHBondContact O-N 3.01Å; H426-M600 HydrophobicContact CB-CE 3.52Å; H426-M600 HydrophobicContact CB-CG 4.07Å; H426-M600 PolarHBondContact CE1-O 3.47Å; H426-M600 PolarHBondContact ND1-O 3.38Å
427	V	86.5	Confident	83.4	Confident	104 Å²	104	51 Å²	51	63%	0.63	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-55.2	-34.5	-178.4	178.3	0	0	0	0	112.6	E429 L430	V427-E429 PolarHBondContact O-N 3.45Å; V427-L430 HydrophobicContact CG1-CD1 3.93Å; V427-L430 WeakPolarHBondContact O-CB 3.34Å; V427-L430 WeakPolarHBondContact O-CD1 3.3Å; V427-L430 WeakPolarHBondContact O-CG 3.21Å; V427-L430 PolarHBondContact O-N 2.87Å; V427-L430 VanDerWaalsContact O-N 3.12Å
428	M	85.9	Confident	84.7	Confident	91 Å²	91	53.5 Å²	53.5	45%	0.448	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-68.8	-21	179.5	-58.6	-62.2	-175.7	0	0	113.3	H426 L430 I431 P432 F596 M600	H426-M428 PolarHBondContact O-N 3.2Å; H426-M428 VanDerWaalsContact O-N 3.11Å; M428-L430 PolarHBondContact O-N 3.28Å; M428-I431 PolarHBondContact O-N 2.84Å; M428-P432 WeakPolarHBondContact O-CD 3.28Å; M428-F596 HydrophobicContact CE-CE2 3.74Å; M428-F596 HydrophobicContact CE-CZ 3.58Å; M428-F596 HydrophobicContact CG-CE1 4.37Å; M428-F596 HydrophobicContact CG-CZ 3.86Å; M428-F596 HydrophobicContact SD-CZ 3.86Å; M428-M600 HydrophobicContact CB-CE 3.65Å; M428-M600 HydrophobicContact CB-SD 3.91Å; M428-M600 HydrophobicContact CG-CE 4.49Å; M428-M600 HydrophobicContact CG-SD 4.27Å
429	E	89.7	Confident	85.8	Confident	5 Å²	5	53 Å²	53	2%	0.023	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-69.1	-12.4	174.3	-59.2	-175.7	-112.9	0	0	112.5	H426 V427 I431 P432 F433 M600 Y613	H426-E429 HydrophobicContact CB-CG 4.26Å; H426-E429 IonicContact CD2-OE1 3.59Å; H426-E429 IonicContact CG-OE1 3.92Å; H426-E429 PolarHBondContact N-OE1 2.66Å; H426-E429 VanDerWaalsContact O-CB 3.28Å; H426-E429 WeakPolarHBondContact O-CB 3.05Å; H426-E429 PolarHBondContact O-N 3.01Å; V427-E429 PolarHBondContact O-N 3.45Å; E429-I431 PolarHBondContact O-N 2.9Å; E429-P432 WeakPolarHBondContact O-CD 3.18Å; E429-P432 WeakPolarHBondContact O-CG 3.43Å; E429-F433 VanDerWaalsContact C-CD2 3.49Å; E429-F433 HydrophobicContact CB-CD2 4.07Å; E429-F433 HydrophobicContact CB-CE2 3.51Å; E429-F433 HydrophobicContact CB-CZ 3.88Å; E429-F433 WeakPolarHBondContact O-CB 3.27Å; E429-F433 WeakPolarHBondContact O-CD2 3.25Å; E429-F433 WeakPolarHBondContact O-CG 3.27Å; E429-F433 PolarHBondContact O-N 2.98Å; E429-M600 HydrophobicContact CG-CE 3.71Å; E429-Y613 WeakPolarHBondContact CB-OH 3.42Å; E429-Y613 WeakPolarHBondContact CG-OH 3.04Å; E429-Y613 WeakPolarHBondContact OE2-CE2 3.35Å; E429-Y613 PolarHBondContact OE2-OH 3.41Å
430	L	92.3	Very high	87.1	Confident	40 Å²	40	51.8 Å²	51.8	21%	0.209	27%	0.269	C	S	.	.	H	α-helix	trans	-58.6	-32.9	172.9	-78.4	160.3	0	0	0	113	W425 V427 M428 F433 A434 I647 I651	W425-L430 HydrophobicContact CH2-CD1 4.4Å; W425-L430 HydrophobicContact CZ3-CD1 3.92Å; W425-L430 HydrophobicContact CZ3-CD2 4.44Å; W425-L430 HydrophobicContact CZ3-CG 3.96Å; V427-L430 HydrophobicContact CG1-CD1 3.93Å; V427-L430 WeakPolarHBondContact O-CB 3.34Å; V427-L430 WeakPolarHBondContact O-CD1 3.3Å; V427-L430 WeakPolarHBondContact O-CG 3.21Å; V427-L430 PolarHBondContact O-N 2.87Å; V427-L430 VanDerWaalsContact O-N 3.12Å; M428-L430 PolarHBondContact O-N 3.28Å; L430-F433 PolarHBondContact O-N 3.46Å; L430-A434 WeakPolarHBondContact O-CB 3.3Å; L430-A434 PolarHBondContact O-N 3.49Å; L430-I647 HydrophobicContact CD2-CG2 4.17Å; L430-I651 HydrophobicContact CD2-CD1 3.28Å; L430-I651 HydrophobicContact CD2-CG1 4.48Å
431	I	94	Very high	88.4	Confident	126 Å²	126	47.7 Å²	47.7	65%	0.646	25%	0.247	S	C	*	.	H	α-helix	trans	-64.8	-55.8	179.3	-60.1	173.8	0	0	0	110.7	M428 E429 F433 A434 L435	M428-I431 PolarHBondContact O-N 2.84Å; E429-I431 PolarHBondContact O-N 2.9Å; I431-F433 VanDerWaalsContact C-N 3.3Å; I431-F433 PolarHBondContact O-N 3.38Å; I431-A434 PolarHBondContact O-N 2.83Å; I431-L435 PolarHBondContact O-N 3.47Å
432	P	94.8	Very high	89.7	Confident	23 Å²	23	51 Å²	51	15%	0.149	27%	0.265	C	S	.	.	H	α-helix	trans	-68.2	-27	176.7	28.1	-36.8	0	0	0	113.1	M428 E429 L435 L436 L580 T584 Y613	M428-P432 WeakPolarHBondContact O-CD 3.28Å; E429-P432 WeakPolarHBondContact O-CD 3.18Å; E429-P432 WeakPolarHBondContact O-CG 3.43Å; P432-L435 WeakPolarHBondContact O-CB 3.3Å; P432-L435 PolarHBondContact O-N 3.4Å; P432-L436 PolarHBondContact O-N 3.41Å; P432-L580 HydrophobicContact CB-CD2 4.15Å; P432-T584 HydrophobicContact CB-CG2 4.11Å; P432-T584 HydrophobicContact CG-CG2 4.45Å; P432-Y613 HydrophobicContact CB-CE1 3.89Å; P432-Y613 HydrophobicContact CG-CE1 3.88Å
433	F	95.8	Very high	91.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-40.5	170.3	-64.3	-35.8	0	0	0	112.7	E429 L430 I431 L435 L436 G437 L612 Y613 V616 P648	E429-F433 VanDerWaalsContact C-CD2 3.49Å; E429-F433 HydrophobicContact CB-CD2 4.07Å; E429-F433 HydrophobicContact CB-CE2 3.51Å; E429-F433 HydrophobicContact CB-CZ 3.88Å; E429-F433 WeakPolarHBondContact O-CB 3.27Å; E429-F433 WeakPolarHBondContact O-CD2 3.25Å; E429-F433 WeakPolarHBondContact O-CG 3.27Å; E429-F433 PolarHBondContact O-N 2.98Å; L430-F433 PolarHBondContact O-N 3.46Å; I431-F433 VanDerWaalsContact C-N 3.3Å; I431-F433 PolarHBondContact O-N 3.38Å; F433-L435 VanDerWaalsContact C-N 3.31Å; F433-L435 PolarHBondContact O-N 3.34Å; F433-L436 HydrophobicContact CD1-CD1 4.41Å; F433-L436 WeakPolarHBondContact O-CB 3.34Å; F433-L436 PolarHBondContact O-N 3.09Å; F433-G437 PolarHBondContact O-N 3.13Å; F433-L612 HydrophobicContact CE1-CG 4.5Å; F433-L612 HydrophobicContact CZ-CD2 3.93Å; F433-L612 HydrophobicContact CZ-CG 4.18Å; F433-Y613 HydrophobicContact CD1-CD1 4.3Å; F433-Y613 HydrophobicContact CD1-CE1 4.2Å; F433-Y613 AromaticContact CE1-CD1 3.98Å; F433-Y613 HydrophobicContact CE1-CD1 3.98Å; F433-Y613 AromaticContact CE1-CD2 3.87Å; F433-Y613 HydrophobicContact CE1-CD2 3.87Å; F433-Y613 AromaticContact CE1-CE1 3.87Å; F433-Y613 HydrophobicContact CE1-CE1 3.87Å; F433-Y613 AromaticContact CE1-CE2 3.73Å; F433-Y613 HydrophobicContact CE1-CE2 3.73Å; F433-Y613 AromaticContact CE1-CG 3.96Å; F433-Y613 HydrophobicContact CE1-CG 3.96Å; F433-Y613 AromaticContact CE1-CZ 3.71Å; F433-Y613 HydrophobicContact CZ-CD2 4.43Å; F433-Y613 AromaticContact CZ-CE2 3.98Å; F433-Y613 HydrophobicContact CZ-CE2 3.98Å; F433-V616 HydrophobicContact CB-CG1 4.15Å; F433-V616 HydrophobicContact CD1-CB 4.07Å; F433-V616 HydrophobicContact CD1-CG1 3.8Å; F433-V616 HydrophobicContact CD1-CG2 4.05Å; F433-V616 HydrophobicContact CE1-CB 4.39Å; F433-V616 HydrophobicContact CE1-CG2 4.05Å; F433-V616 HydrophobicContact CG-CG1 4.18Å; F433-P648 HydrophobicContact CD2-CB 3.57Å; F433-P648 HydrophobicContact CD2-CG 3.93Å; F433-P648 HydrophobicContact CE2-CB 3.77Å; F433-P648 HydrophobicContact CE2-CG 3.81Å; F433-P648 HydrophobicContact CG-CB 4.16Å; F433-P648 HydrophobicContact CZ-CB 4.5Å
434	A	96.8	Very high	92.6	Very high	32 Å²	32	44.5 Å²	44.5	26%	0.264	23%	0.232	S	C	.	.	H	α-helix	trans	-65	-36.8	172.9	0	0	0	0	0	111.7	L430 I431 G437 L438 I651 V655	L430-A434 WeakPolarHBondContact O-CB 3.3Å; L430-A434 PolarHBondContact O-N 3.49Å; I431-A434 PolarHBondContact O-N 2.83Å; A434-G437 WeakPolarHBondContact O-CA 3.2Å; A434-G437 PolarHBondContact O-N 3.25Å; A434-G437 VanDerWaalsContact O-N 3.15Å; A434-L438 PolarHBondContact O-N 2.88Å; A434-I651 HydrophobicContact CB-CG2 4.22Å; A434-V655 HydrophobicContact CB-CG2 4.5Å
435	L	97.2	Very high	93.7	Very high	73 Å²	73	39.1 Å²	39.1	38%	0.382	21%	0.207	S	C	.	.	H	α-helix	trans	-62.6	-41.8	172.9	-178.2	63	0	0	0	111.8	I431 P432 F433 G437 L438 L439 L580	I431-L435 PolarHBondContact O-N 3.47Å; P432-L435 WeakPolarHBondContact O-CB 3.3Å; P432-L435 PolarHBondContact O-N 3.4Å; F433-L435 VanDerWaalsContact C-N 3.31Å; F433-L435 PolarHBondContact O-N 3.34Å; L435-G437 VanDerWaalsContact C-N 3.28Å; L435-G437 PolarHBondContact O-N 3.27Å; L435-L438 HydrophobicContact CD1-CD2 4.27Å; L435-L438 WeakPolarHBondContact O-CB 2.8Å; L435-L438 PolarHBondContact O-N 2.9Å; L435-L439 HydrophobicContact CD1-CG 4.39Å; L435-L439 HydrophobicContact CG-CD1 4.21Å; L435-L439 HydrophobicContact CG-CG 4.47Å; L435-L439 WeakPolarHBondContact O-CG 3.31Å; L435-L439 PolarHBondContact O-N 3.27Å; L435-L580 HydrophobicContact CD2-CD1 4.34Å; L435-L580 HydrophobicContact CD2-CD2 4.39Å
436	L	97.1	Very high	94.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-39.6	171.5	-73.7	173.8	0	0	0	111.8	P432 F433 L439 G440 M576 L580 Y613 V616 A620	P432-L436 PolarHBondContact O-N 3.41Å; F433-L436 HydrophobicContact CD1-CD1 4.41Å; F433-L436 WeakPolarHBondContact O-CB 3.34Å; F433-L436 PolarHBondContact O-N 3.09Å; L436-L439 PolarHBondContact O-N 2.93Å; L436-G440 PolarHBondContact O-N 3.1Å; L436-M576 HydrophobicContact CD2-CG 4.49Å; L436-L580 HydrophobicContact CD1-CD2 4.11Å; L436-L580 HydrophobicContact CD2-CB 3.9Å; L436-L580 HydrophobicContact CD2-CD2 3.53Å; L436-L580 HydrophobicContact CD2-CG 4.36Å; L436-L580 HydrophobicContact CG-CD2 3.46Å; L436-L580 VanDerWaalsContact CG-CD2 3.46Å; L436-Y613 HydrophobicContact CD1-CD1 4.02Å; L436-V616 HydrophobicContact CD1-CB 4.41Å; L436-V616 HydrophobicContact CD1-CG1 4.31Å; L436-A620 WeakPolarHBondContact O-CB 3.47Å
437	G	97.6	Very high	94.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-54	-52.9	170.6	0	0	0	0	0	112.1	F433 A434 L435 L439 G440 G441 A652 S656	F433-G437 PolarHBondContact O-N 3.13Å; A434-G437 WeakPolarHBondContact O-CA 3.2Å; A434-G437 PolarHBondContact O-N 3.25Å; A434-G437 VanDerWaalsContact O-N 3.15Å; L435-G437 VanDerWaalsContact C-N 3.28Å; L435-G437 PolarHBondContact O-N 3.27Å; G437-L439 PolarHBondContact O-N 3.4Å; G437-G440 PolarHBondContact O-N 3.29Å; G437-G441 PolarHBondContact O-N 3.12Å; G437-A652 VanDerWaalsContact CA-O 3.28Å; G437-A652 WeakPolarHBondContact CA-O 3.48Å; G437-S656 WeakPolarHBondContact O-CA 3.33Å; G437-S656 VanDerWaalsContact O-CB 3.23Å; G437-S656 WeakPolarHBondContact O-CB 3.21Å
438	L	97.9	Very high	95.1	Very high	71 Å²	71	34 Å²	34	37%	0.372	18%	0.184	S	C	.	.	H	α-helix	trans	-59.1	-49.3	179	179.4	70.5	0	0	0	111.7	A434 L435 G441 I442 V655 T659	A434-L438 PolarHBondContact O-N 2.88Å; L435-L438 HydrophobicContact CD1-CD2 4.27Å; L435-L438 WeakPolarHBondContact O-CB 2.8Å; L435-L438 PolarHBondContact O-N 2.9Å; L438-G441 PolarHBondContact O-N 2.74Å; L438-I442 HydrophobicContact CD1-CD1 4.44Å; L438-I442 HydrophobicContact CG-CD1 4.18Å; L438-I442 WeakPolarHBondContact O-CG1 3.4Å; L438-I442 PolarHBondContact O-N 3Å; L438-V655 HydrophobicContact CB-CG1 4.28Å; L438-T659 HydrophobicContact CD1-CG2 3.74Å
439	L	97.3	Very high	95.5	Very high	64 Å²	64	37 Å²	37	34%	0.335	19%	0.19	S	C	.	.	H	α-helix	trans	-65	-40.6	-179.6	-66	174.8	0	0	0	111.9	L435 L436 G437 G441 I442 F443 M576	L435-L439 HydrophobicContact CD1-CG 4.39Å; L435-L439 HydrophobicContact CG-CD1 4.21Å; L435-L439 HydrophobicContact CG-CG 4.47Å; L435-L439 WeakPolarHBondContact O-CG 3.31Å; L435-L439 PolarHBondContact O-N 3.27Å; L436-L439 PolarHBondContact O-N 2.93Å; G437-L439 PolarHBondContact O-N 3.4Å; L439-G441 VanDerWaalsContact C-N 3.33Å; L439-G441 PolarHBondContact O-N 3.06Å; L439-I442 PolarHBondContact O-N 2.69Å; L439-F443 WeakPolarHBondContact O-CB 3.27Å; L439-F443 PolarHBondContact O-N 2.66Å; L439-M576 HydrophobicContact CB-SD 3.46Å; L439-M576 WeakPolarHBondContact CB-SD 3.49Å; L439-M576 HydrophobicContact CD1-SD 4.32Å
440	G	96.8	Very high	95.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-39	174.1	0	0	0	0	0	112.5	L436 G437 F443 G444	L436-G440 PolarHBondContact O-N 3.1Å; G437-G440 PolarHBondContact O-N 3.29Å; G440-F443 PolarHBondContact O-N 3.01Å; G440-G444 PolarHBondContact O-N 3.34Å
441	G	96.7	Very high	95.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.3	-40.6	175.5	0	0	0	0	0	113.2	G437 L438 L439 T445 S656	G437-G441 PolarHBondContact O-N 3.12Å; L438-G441 PolarHBondContact O-N 2.74Å; L439-G441 VanDerWaalsContact C-N 3.33Å; L439-G441 PolarHBondContact O-N 3.06Å; G441-T445 WeakPolarHBondContact O-CB 3.31Å; G441-T445 PolarHBondContact O-N 2.86Å; G441-T445 VanDerWaalsContact O-N 3.07Å; G441-T445 PolarHBondContact O-OG1 3.35Å; G441-S656 WeakPolarHBondContact CA-O 3.43Å; G441-S656 WeakPolarHBondContact CA-OG 3.24Å; G441-S656 PolarHBondContact N-OG 2.9Å; G441-S656 VanDerWaalsContact N-OG 3.15Å
442	I	96.9	Very high	95.6	Very high	75 Å²	75	31.4 Å²	31.4	39%	0.385	17%	0.167	S	C	.	.	H	α-helix	trans	-64.7	-47.6	174	-67.2	167.7	0	0	0	110.2	L438 L439 G444 T445 V446 T659	L438-I442 HydrophobicContact CD1-CD1 4.44Å; L438-I442 HydrophobicContact CG-CD1 4.18Å; L438-I442 WeakPolarHBondContact O-CG1 3.4Å; L438-I442 PolarHBondContact O-N 3Å; L439-I442 PolarHBondContact O-N 2.69Å; I442-G444 PolarHBondContact O-N 2.76Å; I442-T445 WeakPolarHBondContact O-CB 3.1Å; I442-T445 PolarHBondContact O-N 3.34Å; I442-V446 HydrophobicContact CG2-CG2 4.47Å; I442-V446 WeakPolarHBondContact O-CG2 3.48Å; I442-V446 PolarHBondContact O-N 2.83Å; I442-T659 HydrophobicContact CG1-CG2 4Å
443	F	96.1	Very high	95.5	Very high	22 Å²	22	37.3 Å²	37.3	10%	0.096	19%	0.187	C	C	.	.	H	α-helix	trans	-57.5	-48.8	177.4	-179.6	-81.9	0	0	0	111.3	L439 G440 T445 V446 F447 L546 L550 A572 M576 T621	L439-F443 WeakPolarHBondContact O-CB 3.27Å; L439-F443 PolarHBondContact O-N 2.66Å; G440-F443 PolarHBondContact O-N 3.01Å; F443-T445 VanDerWaalsContact C-N 3.27Å; F443-T445 PolarHBondContact O-N 2.89Å; F443-V446 PolarHBondContact O-N 3.44Å; F443-F447 HydrophobicContact CE1-CB 4.41Å; F443-F447 WeakPolarHBondContact O-CB 3.49Å; F443-F447 PolarHBondContact O-N 3.48Å; F443-L546 HydrophobicContact CE2-CD1 4.06Å; F443-L550 HydrophobicContact CE1-CD1 4.19Å; F443-L550 HydrophobicContact CE2-CB 4.01Å; F443-L550 HydrophobicContact CE2-CD1 3.79Å; F443-L550 HydrophobicContact CE2-CD2 4.16Å; F443-L550 HydrophobicContact CE2-CG 4.19Å; F443-L550 HydrophobicContact CZ-CB 4.14Å; F443-L550 HydrophobicContact CZ-CD1 3.59Å; F443-L550 HydrophobicContact CZ-CG 4.35Å; F443-A572 HydrophobicContact CE1-CB 3.93Å; F443-A572 HydrophobicContact CE2-CB 4.16Å; F443-A572 HydrophobicContact CZ-CB 3.51Å; F443-M576 HydrophobicContact CB-CE 3.99Å; F443-M576 HydrophobicContact CD2-CE 3.99Å; F443-M576 HydrophobicContact CG-CE 4.16Å; F443-T621 HydrophobicContact CB-CG2 4.46Å; F443-T621 HydrophobicContact CD1-CG2 3.31Å; F443-T621 HydrophobicContact CE1-CG2 3.69Å; F443-T621 HydrophobicContact CG-CG2 4.02Å
444	G	95.2	Very high	95.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-38.2	178.8	0	0	0	0	0	112.8	G440 I442 N448	G440-G444 PolarHBondContact O-N 3.34Å; I442-G444 PolarHBondContact O-N 2.76Å; G444-N448 VanDerWaalsContact O-CB 3.31Å; G444-N448 WeakPolarHBondContact O-CB 3.43Å; G444-N448 PolarHBondContact O-N 3.27Å; G444-N448 PolarHBondContact O-OD1 2.82Å
445	T	94.8	Very high	95	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-64.7	-48	175.7	-57.7	0	0	0	0	112	G441 I442 F443 N448 R449 G660 L663 T664	G441-T445 WeakPolarHBondContact O-CB 3.31Å; G441-T445 PolarHBondContact O-N 2.86Å; G441-T445 VanDerWaalsContact O-N 3.07Å; G441-T445 PolarHBondContact O-OG1 3.35Å; I442-T445 WeakPolarHBondContact O-CB 3.1Å; I442-T445 PolarHBondContact O-N 3.34Å; F443-T445 VanDerWaalsContact C-N 3.27Å; F443-T445 PolarHBondContact O-N 2.89Å; T445-N448 PolarHBondContact O-N 3.11Å; T445-R449 PolarHBondContact O-N 3.45Å; T445-G660 WeakPolarHBondContact OG1-CA 3.25Å; T445-L663 HydrophobicContact CG2-CB 3.4Å; T445-L663 VanDerWaalsContact CG2-CB 3.4Å; T445-L663 HydrophobicContact CG2-CD1 3.94Å; T445-L663 HydrophobicContact CG2-CG 4.3Å; T445-T664 HydrophobicContact CG2-CG2 3.44Å; T445-T664 VanDerWaalsContact CG2-CG2 3.44Å
446	V	95.6	Very high	94.6	Very high	76 Å²	76	39.5 Å²	39.5	46%	0.461	19%	0.186	S	C	.	.	H	α-helix	trans	-61.7	-46.3	177.9	172.2	0	0	0	0	110.2	I442 F443 R449 A450 L550	I442-V446 HydrophobicContact CG2-CG2 4.47Å; I442-V446 WeakPolarHBondContact O-CG2 3.48Å; I442-V446 PolarHBondContact O-N 2.83Å; F443-V446 PolarHBondContact O-N 3.44Å; V446-R449 PolarHBondContact O-N 2.85Å; V446-A450 VanDerWaalsContact O-CB 3.27Å; V446-A450 WeakPolarHBondContact O-CB 3.45Å; V446-A450 PolarHBondContact O-N 3.41Å; V446-L550 HydrophobicContact CG1-CD2 4.47Å
447	F	95.3	Very high	94.3	Very high	2 Å²	2	42 Å²	42	1%	0.009	20%	0.2	C	C	.	.	H	α-helix	trans	-58.2	-49.9	176.6	175.3	-93.6	0	0	0	111.7	F443 R449 A450 N451 L550 T553 V554 F557 L565 V625 I668	F443-F447 HydrophobicContact CE1-CB 4.41Å; F443-F447 WeakPolarHBondContact O-CB 3.49Å; F443-F447 PolarHBondContact O-N 3.48Å; F447-R449 PolarHBondContact O-N 3.17Å; F447-A450 PolarHBondContact O-N 3.12Å; F447-N451 HydrophobicContact CE1-CB 4.41Å; F447-N451 HydrophobicContact CZ-CB 4.34Å; F447-N451 WeakPolarHBondContact O-CB 3.25Å; F447-N451 PolarHBondContact O-N 3.35Å; F447-L550 HydrophobicContact CB-CD1 3.99Å; F447-L550 HydrophobicContact CD2-CD1 3.92Å; F447-L550 HydrophobicContact CG-CD1 4.46Å; F447-T553 WeakPolarHBondContact CE2-OG1 3.33Å; F447-V554 HydrophobicContact CD2-CG2 3.54Å; F447-V554 HydrophobicContact CE2-CG2 3.7Å; F447-F557 HydrophobicContact CE1-CD1 4.5Å; F447-F557 HydrophobicContact CZ-CB 4.41Å; F447-F557 HydrophobicContact CZ-CD1 4.15Å; F447-L565 HydrophobicContact CE1-CD1 3.66Å; F447-L565 HydrophobicContact CE1-CD2 3.66Å; F447-L565 HydrophobicContact CE1-CG 4.26Å; F447-L565 HydrophobicContact CE2-CD1 4.18Å; F447-L565 HydrophobicContact CZ-CD1 3.34Å; F447-L565 HydrophobicContact CZ-CD2 4.12Å; F447-L565 HydrophobicContact CZ-CG 4.37Å; F447-V625 HydrophobicContact CD1-CG1 3.96Å; F447-V625 HydrophobicContact CD1-CG2 4.15Å; F447-V625 HydrophobicContact CE1-CG1 4.13Å; F447-I668 HydrophobicContact CE1-CD1 4.4Å; F447-I668 HydrophobicContact CE1-CG1 4.45Å
448	N	93.5	Very high	93.9	Very high	9 Å²	9	42.9 Å²	42.9	5%	0.048	20%	0.203	C	C	.	.	H	α-helix	trans	-62.1	-44.7	-177.9	-72.3	-5.1	0	0	0	111.9	G444 T445 L452 V625 I668	G444-N448 VanDerWaalsContact O-CB 3.31Å; G444-N448 WeakPolarHBondContact O-CB 3.43Å; G444-N448 PolarHBondContact O-N 3.27Å; G444-N448 PolarHBondContact O-OD1 2.82Å; T445-N448 PolarHBondContact O-N 3.11Å; N448-L452 VanDerWaalsContact O-CB 3.27Å; N448-L452 WeakPolarHBondContact O-CB 3.48Å; N448-L452 PolarHBondContact O-N 3.32Å; N448-V625 PolarHBondContact ND2-O 3.34Å; N448-V625 VanDerWaalsContact ND2-O 3.13Å; N448-I668 HydrophobicContact CB-CD1 4.47Å
449	R	93.5	Very high	93.3	Very high	152 Å²	152	44.8 Å²	44.8	57%	0.574	21%	0.208	S	C	*	.	H	α-helix	trans	-64	-46.6	176.5	-80.5	-172.5	177	156.4	0.4	112.3	T445 V446 F447 L452 Y453 L663 T664	T445-R449 PolarHBondContact O-N 3.45Å; V446-R449 PolarHBondContact O-N 2.85Å; F447-R449 PolarHBondContact O-N 3.17Å; R449-L452 PolarHBondContact O-N 3.18Å; R449-Y453 WeakPolarHBondContact O-CB 3.32Å; R449-Y453 PolarHBondContact O-N 3.48Å; R449-L663 PolarHBondContact NH2-O 3.43Å; R449-T664 HydrophobicContact CG-CG2 3.88Å
450	A	94.5	Very high	92.7	Very high	36 Å²	36	47.3 Å²	47.3	30%	0.298	23%	0.226	S	C	.	.	H	α-helix	trans	-62.8	-45.2	-180	0	0	0	0	0	111	V446 F447 Y453 I454 V554	V446-A450 VanDerWaalsContact O-CB 3.27Å; V446-A450 WeakPolarHBondContact O-CB 3.45Å; V446-A450 PolarHBondContact O-N 3.41Å; F447-A450 PolarHBondContact O-N 3.12Å; A450-Y453 PolarHBondContact O-N 2.9Å; A450-I454 WeakPolarHBondContact O-CG1 3.24Å; A450-I454 PolarHBondContact O-N 3.46Å; A450-V554 HydrophobicContact CB-CG1 3.98Å; A450-V554 HydrophobicContact CB-CG2 3.97Å
451	N	93.3	Very high	92.2	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-46.2	177.6	-174.2	-98.8	0	0	0	112.2	F447 Y453 I454 C455 V554 F557 I668 H672	F447-N451 HydrophobicContact CE1-CB 4.41Å; F447-N451 HydrophobicContact CZ-CB 4.34Å; F447-N451 WeakPolarHBondContact O-CB 3.25Å; F447-N451 PolarHBondContact O-N 3.35Å; N451-Y453 VanDerWaalsContact C-N 3.29Å; N451-Y453 PolarHBondContact O-N 3.46Å; N451-I454 PolarHBondContact O-N 3.28Å; N451-C455 WeakPolarHBondContact O-CB 3.37Å; N451-C455 PolarHBondContact O-N 2.78Å; N451-C455 PolarHBondContact O-SG 2.95Å; N451-V554 PolarHBondContact ND2-O 3.16Å; N451-V554 VanDerWaalsContact ND2-O 3.12Å; N451-F557 HydrophobicContact CB-CD1 4.48Å; N451-F557 VanDerWaalsContact ND2-CD1 3.27Å; N451-F557 WeakPolarHBondContact ND2-CD1 3.36Å; N451-F557 PolarHBondContact ND2-O 2.83Å; N451-F557 VanDerWaalsContact OD1-CD1 3.27Å; N451-F557 WeakPolarHBondContact OD1-CD1 3.43Å; N451-I668 HydrophobicContact CB-CD1 4.38Å; N451-H672 PolarHBondContact OD1-NE2 3.42Å
452	L	90.3	Very high	91.5	Very high	19 Å²	19	57.3 Å²	57.3	10%	0.099	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-39.9	178.9	-173.2	62.5	0	0	0	111.7	N448 R449 C455 R456 E671 L675	N448-L452 VanDerWaalsContact O-CB 3.27Å; N448-L452 WeakPolarHBondContact O-CB 3.48Å; N448-L452 PolarHBondContact O-N 3.32Å; R449-L452 PolarHBondContact O-N 3.18Å; L452-C455 PolarHBondContact O-N 2.84Å; L452-R456 VanDerWaalsContact CD2-NH2 3.33Å; L452-R456 WeakPolarHBondContact O-CB 3.42Å; L452-R456 VanDerWaalsContact O-CG 3.32Å; L452-R456 WeakPolarHBondContact O-CG 3.46Å; L452-R456 PolarHBondContact O-N 3.48Å; L452-E671 HydrophobicContact CD1-CB 4.39Å; L452-E671 HydrophobicContact CD2-CG 4.48Å; L452-E671 VanDerWaalsContact CD2-OE2 3.23Å; L452-E671 WeakPolarHBondContact CD2-OE2 3.07Å; L452-L675 HydrophobicContact CD1-CB 4.26Å; L452-L675 HydrophobicContact CD1-CD1 4.23Å; L452-L675 HydrophobicContact CD1-CD2 4.17Å; L452-L675 HydrophobicContact CD1-CG 4.44Å
453	Y	92.6	Very high	90.5	Very high	147 Å²	147	57.2 Å²	57.2	58%	0.576	27%	0.271	S	S	*	.	H	α-helix	trans	-59.8	-49.5	174.3	176.9	-98.8	0	0	0	111.8	R449 A450 N451 C455 R456 L457	R449-Y453 WeakPolarHBondContact O-CB 3.32Å; R449-Y453 PolarHBondContact O-N 3.48Å; A450-Y453 PolarHBondContact O-N 2.9Å; N451-Y453 VanDerWaalsContact C-N 3.29Å; N451-Y453 PolarHBondContact O-N 3.46Å; Y453-C455 PolarHBondContact O-N 3.21Å; Y453-R456 PolarHBondContact O-N 3.04Å; Y453-L457 WeakPolarHBondContact O-CB 3.4Å; Y453-L457 PolarHBondContact O-N 3.36Å
454	I	92.5	Very high	89.4	Confident	22 Å²	22	57.6 Å²	57.6	11%	0.113	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-42	178.2	-65.6	-62.3	0	0	0	111.5	A450 N451 R456 L457 R458 V554 F555	A450-I454 WeakPolarHBondContact O-CG1 3.24Å; A450-I454 PolarHBondContact O-N 3.46Å; N451-I454 PolarHBondContact O-N 3.28Å; I454-R456 PolarHBondContact O-N 3.21Å; I454-L457 WeakPolarHBondContact O-CB 3.23Å; I454-L457 PolarHBondContact O-N 3.21Å; I454-R458 WeakPolarHBondContact O-CG 3.31Å; I454-R458 PolarHBondContact O-N 2.85Å; I454-V554 HydrophobicContact CG1-CG1 3.91Å; I454-F555 HydrophobicContact CD1-CE1 3.78Å; I454-F555 HydrophobicContact CD1-CZ 4.13Å; I454-F555 HydrophobicContact CG1-CE1 4.41Å; I454-F555 HydrophobicContact CG2-CD1 4.34Å
455	C	90.5	Very high	88.8	Confident	9 Å²	9	64.6 Å²	64.6	6%	0.061	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-36.4	177.3	-74.5	0	0	0	0	112.6	N451 L452 Y453 R458 K459 L675	N451-C455 WeakPolarHBondContact O-CB 3.37Å; N451-C455 PolarHBondContact O-N 2.78Å; N451-C455 PolarHBondContact O-SG 2.95Å; L452-C455 PolarHBondContact O-N 2.84Å; Y453-C455 PolarHBondContact O-N 3.21Å; C455-R458 PolarHBondContact O-N 3.14Å; C455-K459 PolarHBondContact O-N 3.48Å; C455-L675 HydrophobicContact CB-CD2 3.55Å
456	R	89.4	Confident	88.6	Confident	120 Å²	120	69.7 Å²	69.7	45%	0.453	33%	0.33	S	S	.	.	H	α-helix	trans	-64.1	-44.7	170.1	-74.7	175.1	-172.4	168.5	3	111.3	L452 Y453 I454 R458 K459 T460 L675	L452-R456 VanDerWaalsContact CD2-NH2 3.33Å; L452-R456 WeakPolarHBondContact O-CB 3.42Å; L452-R456 VanDerWaalsContact O-CG 3.32Å; L452-R456 WeakPolarHBondContact O-CG 3.46Å; L452-R456 PolarHBondContact O-N 3.48Å; Y453-R456 PolarHBondContact O-N 3.04Å; I454-R456 PolarHBondContact O-N 3.21Å; R456-R458 VanDerWaalsContact C-N 3.28Å; R456-R458 PolarHBondContact O-N 3.46Å; R456-K459 PolarHBondContact O-N 3.31Å; R456-T460 PolarHBondContact O-N 3.48Å; R456-T460 VanDerWaalsContact O-N 3.16Å; R456-T460 PolarHBondContact O-OG1 3.01Å; R456-L675 HydrophobicContact CG-CD1 3.51Å
457	L	90.5	Very high	88.3	Confident	54 Å²	54	66.2 Å²	66.2	28%	0.283	31%	0.309	S	S	.	.	H	α-helix	trans	-58.5	-41.3	177.3	-168.3	72.3	0	0	0	111.2	Y453 I454 K459 T460 T461 L463	Y453-L457 WeakPolarHBondContact O-CB 3.4Å; Y453-L457 PolarHBondContact O-N 3.36Å; I454-L457 WeakPolarHBondContact O-CB 3.23Å; I454-L457 PolarHBondContact O-N 3.21Å; L457-K459 VanDerWaalsContact C-N 3.27Å; L457-K459 PolarHBondContact O-N 2.91Å; L457-T460 PolarHBondContact O-N 2.71Å; L457-T460 PolarHBondContact O-OG1 2.82Å; L457-T461 HydrophobicContact CD1-CG2 3.42Å; L457-T461 VanDerWaalsContact CD1-CG2 3.42Å; L457-T461 HydrophobicContact CG-CG2 3.82Å; L457-T461 VanDerWaalsContact O-CB 3.3Å; L457-T461 WeakPolarHBondContact O-CB 3.3Å; L457-T461 WeakPolarHBondContact O-CG2 3.48Å; L457-T461 PolarHBondContact O-N 3.49Å; L457-T461 PolarHBondContact O-OG1 3.35Å; L457-L463 HydrophobicContact CD2-CD1 4.08Å; L457-L463 HydrophobicContact CG-CD1 4.4Å
458	R	89.8	Confident	88.2	Confident	18 Å²	18	68.2 Å²	68.2	7%	0.068	32%	0.321	C	S	.	.	H	α-helix	trans	-59.9	-34.1	175.3	-76.2	173.3	169	148.3	1.7	113.5	I454 C455 R456 L463 G464 E470 F555 F557 G558	I454-R458 WeakPolarHBondContact O-CG 3.31Å; I454-R458 PolarHBondContact O-N 2.85Å; C455-R458 PolarHBondContact O-N 3.14Å; R456-R458 VanDerWaalsContact C-N 3.28Å; R456-R458 PolarHBondContact O-N 3.46Å; R458-L463 HydrophobicContact CG-CB 4.38Å; R458-G464 WeakPolarHBondContact O-CA 3.4Å; R458-G464 PolarHBondContact O-N 3.27Å; R458-E470 IonicContact CZ-OE1 3.92Å; R458-E470 IonicContact NE-OE1 2.9Å; R458-E470 PolarHBondContact NE-OE1 3.09Å; R458-E470 IonicContact NE-OE2 3.36Å; R458-E470 IonicContact NH2-OE1 2.76Å; R458-E470 PolarHBondContact NH2-OE1 3.35Å; R458-F555 PolarHBondContact NH2-O 3.29Å; R458-F557 PolarHBondContact NH1-O 3.33Å; R458-G558 VanDerWaalsContact NH1-CA 3.26Å; R458-G558 PolarHBondContact NH1-O 3.16Å
459	K	84.8	Confident	88.2	Confident	110 Å²	110	75 Å²	75	48%	0.478	35%	0.346	S	S	.	.	H	α-helix	trans	-75.5	-34	178.4	-69.4	-169	179.2	-163.4	0	112.6	C455 R456 L457 L675 N676	C455-K459 PolarHBondContact O-N 3.48Å; R456-K459 PolarHBondContact O-N 3.31Å; L457-K459 VanDerWaalsContact C-N 3.27Å; L457-K459 PolarHBondContact O-N 2.91Å; K459-L675 HydrophobicContact CD-CD1 4.45Å; K459-L675 HydrophobicContact CD-CG 4.37Å; K459-L675 PolarHBondContact NZ-O 3.49Å; K459-N676 PolarHBondContact NZ-OD1 3.11Å
460	T	84.4	Confident	88.2	Confident	118 Å²	118	68.9 Å²	68.9	72%	0.724	32%	0.324	S	S	*	.	H	α-helix	trans	-94	-26.1	-175.4	56.5	0	0	0	0	114	R456 L457	R456-T460 PolarHBondContact O-N 3.48Å; R456-T460 VanDerWaalsContact O-N 3.16Å; R456-T460 PolarHBondContact O-OG1 3.01Å; L457-T460 PolarHBondContact O-N 2.71Å; L457-T460 PolarHBondContact O-OG1 2.82Å
461	T	85.9	Confident	88.2	Confident	56 Å²	56	67.2 Å²	67.2	34%	0.344	31%	0.31	S	S	.	.	S	Bend	trans	-106	176	-173.2	67.8	0	0	0	0	113.4	L457 L463 G464	L457-T461 HydrophobicContact CD1-CG2 3.42Å; L457-T461 VanDerWaalsContact CD1-CG2 3.42Å; L457-T461 HydrophobicContact CG-CG2 3.82Å; L457-T461 VanDerWaalsContact O-CB 3.3Å; L457-T461 WeakPolarHBondContact O-CB 3.3Å; L457-T461 WeakPolarHBondContact O-CG2 3.48Å; L457-T461 PolarHBondContact O-N 3.49Å; L457-T461 PolarHBondContact O-OG1 3.35Å; T461-L463 PolarHBondContact O-N 3Å; T461-G464 PolarHBondContact O-N 3.29Å
462	W	81.9	Confident	88.3	Confident	153 Å²	153	69 Å²	69	58%	0.58	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-58.2	-24.1	177.4	176.9	52.4	0	0	0	114.9	G464 K465 Y466	W462-G464 VanDerWaalsContact C-N 3.25Å; W462-G464 PolarHBondContact O-N 3.43Å; W462-K465 VanDerWaalsContact O-CB 3.29Å; W462-K465 WeakPolarHBondContact O-CB 3.21Å; W462-K465 PolarHBondContact O-N 2.79Å; W462-Y466 AromaticContact CE2-CD2 3.31Å; W462-Y466 AromaticContact CE2-CE2 3.42Å; W462-Y466 VanDerWaalsContact CE2-CE2 3.42Å; W462-Y466 AromaticContact CZ2-CD2 3.32Å; W462-Y466 HydrophobicContact CZ2-CD2 3.32Å; W462-Y466 AromaticContact CZ2-CE2 3.47Å; W462-Y466 HydrophobicContact CZ2-CE2 3.47Å; W462-Y466 VanDerWaalsContact CZ2-CE2 3.47Å; W462-Y466 AromaticContact NE1-CD2 2.99Å; W462-Y466 AromaticContact NE1-CE2 2.85Å; W462-Y466 AromaticContact NE1-CZ 3.91Å
463	L	75.9	Confident	88.5	Confident	74 Å²	74	72 Å²	72	39%	0.387	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-53.2	-41.1	-179.4	-77.2	155.9	0	0	0	112.2	L457 R458 T461 K465	L457-L463 HydrophobicContact CD2-CD1 4.08Å; L457-L463 HydrophobicContact CG-CD1 4.4Å; R458-L463 HydrophobicContact CG-CB 4.38Å; T461-L463 PolarHBondContact O-N 3Å; L463-K465 VanDerWaalsContact C-N 3.25Å; L463-K465 PolarHBondContact O-N 3.32Å
464	G	73.5	Confident	88.6	Confident	29 Å²	29	65.9 Å²	65.9	30%	0.299	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-68.7	-19.5	178.5	0	0	0	0	0	114.9	R458 T461 W462	R458-G464 WeakPolarHBondContact O-CA 3.4Å; R458-G464 PolarHBondContact O-N 3.27Å; T461-G464 PolarHBondContact O-N 3.29Å; W462-G464 VanDerWaalsContact C-N 3.25Å; W462-G464 PolarHBondContact O-N 3.43Å
465	K	83.1	Confident	88.7	Confident	148 Å²	148	64.9 Å²	64.9	64%	0.643	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-76.1	-33.2	-174.3	-153.2	174.5	-174.5	177.7	0	112.2	W462 L463 P467	W462-K465 VanDerWaalsContact O-CB 3.29Å; W462-K465 WeakPolarHBondContact O-CB 3.21Å; W462-K465 PolarHBondContact O-N 2.79Å; L463-K465 VanDerWaalsContact C-N 3.25Å; L463-K465 PolarHBondContact O-N 3.32Å; K465-P467 WeakPolarHBondContact O-CD 3.3Å
466	Y	89.3	Confident	89	Confident	111 Å²	111	68 Å²	68	44%	0.435	33%	0.327	S	S	.	.			trans	-122.4	71.7	-179.2	-59.5	-50.1	0	0	0	112.8	W462 V468 R469 E470	W462-Y466 AromaticContact CE2-CD2 3.31Å; W462-Y466 AromaticContact CE2-CE2 3.42Å; W462-Y466 VanDerWaalsContact CE2-CE2 3.42Å; W462-Y466 AromaticContact CZ2-CD2 3.32Å; W462-Y466 HydrophobicContact CZ2-CD2 3.32Å; W462-Y466 AromaticContact CZ2-CE2 3.47Å; W462-Y466 HydrophobicContact CZ2-CE2 3.47Å; W462-Y466 VanDerWaalsContact CZ2-CE2 3.47Å; W462-Y466 AromaticContact NE1-CD2 2.99Å; W462-Y466 AromaticContact NE1-CE2 2.85Å; W462-Y466 AromaticContact NE1-CZ 3.91Å; Y466-V468 VanDerWaalsContact C-N 3.3Å; Y466-V468 PolarHBondContact O-N 3.4Å; Y466-R469 PolarHBondContact O-N 2.88Å; Y466-E470 PolarHBondContact O-N 3.4Å
467	P	89.4	Confident	89.3	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.019	33%	0.325	C	S	.	.	H	α-helix	trans	-66.5	-29.5	-174.5	27.5	-36.2	0	0	0	113.7	K465 E470 V471 K560	K465-P467 WeakPolarHBondContact O-CD 3.3Å; P467-E470 PolarHBondContact O-N 2.85Å; P467-V471 VanDerWaalsContact O-CG2 3.31Å; P467-V471 WeakPolarHBondContact O-CG2 3.15Å; P467-V471 PolarHBondContact O-N 3.16Å; P467-K560 HydrophobicContact CB-CB 4.08Å; P467-K560 HydrophobicContact CB-CD 3.49Å; P467-K560 VanDerWaalsContact CB-CD 3.49Å; P467-K560 HydrophobicContact CB-CG 3.67Å; P467-K560 HydrophobicContact CG-CD 3.81Å
468	V	92.9	Very high	89.5	Confident	44 Å²	44	63.8 Å²	63.8	27%	0.267	31%	0.313	S	S	.	.	H	α-helix	trans	-64.6	-47	176.2	178.7	0	0	0	0	110	V266 Y466 E470 V471 L472	V266-V468 HydrophobicContact CG1-CB 4.33Å; V266-V468 HydrophobicContact CG1-CG1 3.9Å; V266-V468 HydrophobicContact CG1-CG2 4.24Å; V266-V468 HydrophobicContact CG2-CG2 4.14Å; Y466-V468 VanDerWaalsContact C-N 3.3Å; Y466-V468 PolarHBondContact O-N 3.4Å; V468-E470 VanDerWaalsContact C-N 3.33Å; V468-E470 PolarHBondContact O-N 2.89Å; V468-V471 PolarHBondContact O-N 3.25Å; V468-L472 HydrophobicContact CG1-CD1 4.14Å; V468-L472 VanDerWaalsContact O-CG 3.28Å; V468-L472 WeakPolarHBondContact O-CG 3.03Å; V468-L472 PolarHBondContact O-N 3.39Å; V468-L472 VanDerWaalsContact O-N 3.1Å
469	R	93.7	Very high	89.7	Confident	152 Å²	152	63.1 Å²	63.1	57%	0.574	31%	0.311	S	S	*	.	H	α-helix	trans	-63.8	-40.2	177.6	-69.8	-178.9	67.5	-179.5	1.1	111.4	Y466 L472 V473	Y466-R469 PolarHBondContact O-N 2.88Å; R469-L472 PolarHBondContact O-N 3.2Å; R469-V473 VanDerWaalsContact O-CG2 3.28Å; R469-V473 WeakPolarHBondContact O-CG2 2.92Å; R469-V473 PolarHBondContact O-N 2.84Å
470	E	93.3	Very high	90.1	Very high	24 Å²	24	61.3 Å²	61.3	11%	0.112	31%	0.306	C	S	.	.	H	α-helix	trans	-58.8	-50.6	176.2	-176.4	-177	-166	0	0	111.7	R458 Y466 P467 V468 L472 V473 V474	R458-E470 IonicContact CZ-OE1 3.92Å; R458-E470 IonicContact NE-OE1 2.9Å; R458-E470 PolarHBondContact NE-OE1 3.09Å; R458-E470 IonicContact NE-OE2 3.36Å; R458-E470 IonicContact NH2-OE1 2.76Å; R458-E470 PolarHBondContact NH2-OE1 3.35Å; Y466-E470 PolarHBondContact O-N 3.4Å; P467-E470 PolarHBondContact O-N 2.85Å; V468-E470 VanDerWaalsContact C-N 3.33Å; V468-E470 PolarHBondContact O-N 2.89Å; E470-L472 VanDerWaalsContact C-N 3.31Å; E470-L472 PolarHBondContact O-N 3.34Å; E470-V473 PolarHBondContact O-N 3.07Å; E470-V474 HydrophobicContact CG-CG2 4.4Å; E470-V474 WeakPolarHBondContact O-CG2 3.41Å; E470-V474 PolarHBondContact O-N 3.49Å
471	V	94.4	Very high	90.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-44.5	179	171.6	0	0	0	0	110.9	A262 V266 P467 V468 V474 T475 I559 V561	A262-V471 HydrophobicContact CB-CG1 4.1Å; V266-V471 HydrophobicContact CB-CB 4.32Å; V266-V471 HydrophobicContact CB-CG1 4.19Å; V266-V471 HydrophobicContact CB-CG2 4.29Å; V266-V471 HydrophobicContact CG1-CG1 4.44Å; V266-V471 HydrophobicContact CG2-CB 4.29Å; V266-V471 HydrophobicContact CG2-CG2 3.89Å; P467-V471 VanDerWaalsContact O-CG2 3.31Å; P467-V471 WeakPolarHBondContact O-CG2 3.15Å; P467-V471 PolarHBondContact O-N 3.16Å; V468-V471 PolarHBondContact O-N 3.25Å; V471-V474 PolarHBondContact O-N 3.02Å; V471-T475 WeakPolarHBondContact O-CB 3.5Å; V471-T475 PolarHBondContact O-N 3.26Å; V471-T475 PolarHBondContact O-OG1 3Å; V471-I559 HydrophobicContact CG2-CB 3.96Å; V471-I559 HydrophobicContact CG2-CD1 4.34Å; V471-I559 HydrophobicContact CG2-CG1 4.3Å; V471-V561 HydrophobicContact CB-CG2 4.5Å; V471-V561 HydrophobicContact CG1-CG2 3.84Å; V471-V561 HydrophobicContact CG2-CG2 3.76Å
472	L	95.6	Very high	90.8	Very high	39 Å²	39	56.4 Å²	56.4	20%	0.204	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-43	179.2	-65	171.7	0	0	0	112.2	V259 L263 V468 R469 E470 T475 L476	V259-L472 HydrophobicContact CG1-CD2 3.83Å; L263-L472 HydrophobicContact CB-CD2 3.72Å; L263-L472 HydrophobicContact CD1-CD1 4.11Å; L263-L472 HydrophobicContact CD1-CD2 3.98Å; L263-L472 HydrophobicContact CG-CD2 4.26Å; V468-L472 HydrophobicContact CG1-CD1 4.14Å; V468-L472 VanDerWaalsContact O-CG 3.28Å; V468-L472 WeakPolarHBondContact O-CG 3.03Å; V468-L472 PolarHBondContact O-N 3.39Å; V468-L472 VanDerWaalsContact O-N 3.1Å; R469-L472 PolarHBondContact O-N 3.2Å; E470-L472 VanDerWaalsContact C-N 3.31Å; E470-L472 PolarHBondContact O-N 3.34Å; L472-T475 PolarHBondContact O-N 3.42Å; L472-L476 VanDerWaalsContact O-CB 3.28Å; L472-L476 WeakPolarHBondContact O-CB 3.39Å; L472-L476 PolarHBondContact O-N 3.31Å
473	V	94.9	Very high	91.1	Very high	81 Å²	81	50 Å²	50	49%	0.491	25%	0.25	S	C	.	.	H	α-helix	trans	-66.1	-45.8	178.8	170.8	0	0	0	0	111.1	R469 E470 T475 L476 I477	R469-V473 VanDerWaalsContact O-CG2 3.28Å; R469-V473 WeakPolarHBondContact O-CG2 2.92Å; R469-V473 PolarHBondContact O-N 2.84Å; E470-V473 PolarHBondContact O-N 3.07Å; V473-T475 VanDerWaalsContact C-N 3.31Å; V473-T475 PolarHBondContact O-N 3.04Å; V473-L476 PolarHBondContact O-N 3.43Å; V473-I477 HydrophobicContact CG1-CD1 3.83Å; V473-I477 WeakPolarHBondContact O-CG1 3.49Å; V473-I477 PolarHBondContact O-N 3.33Å
474	V	94.8	Very high	91.8	Very high	18 Å²	18	50 Å²	50	11%	0.109	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-42.4	177.5	173.2	0	0	0	0	110.5	L317 E470 V471 I477 T478	L317-V474 HydrophobicContact CD2-CG1 4.27Å; E470-V474 HydrophobicContact CG-CG2 4.4Å; E470-V474 WeakPolarHBondContact O-CG2 3.41Å; E470-V474 PolarHBondContact O-N 3.49Å; V471-V474 PolarHBondContact O-N 3.02Å; V474-I477 PolarHBondContact O-N 3.28Å; V474-T478 WeakPolarHBondContact O-CB 3.37Å; V474-T478 PolarHBondContact O-N 3.48Å; V474-T478 PolarHBondContact O-OG1 3.44Å
475	T	95.5	Very high	92.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-44.3	177.6	-52	0	0	0	0	111.3	A258 A262 A315 L317 V471 L472 V473 T478 A479	A258-T475 HydrophobicContact CB-CG2 4.16Å; A258-T475 WeakPolarHBondContact O-CG2 3.43Å; A262-T475 HydrophobicContact CB-CG2 3.7Å; A262-T475 VanDerWaalsContact CB-OG1 3.26Å; A262-T475 WeakPolarHBondContact CB-OG1 3.4Å; A315-T475 HydrophobicContact CB-CG2 4.46Å; L317-T475 HydrophobicContact CD2-CG2 4.46Å; V471-T475 WeakPolarHBondContact O-CB 3.5Å; V471-T475 PolarHBondContact O-N 3.26Å; V471-T475 PolarHBondContact O-OG1 3Å; L472-T475 PolarHBondContact O-N 3.42Å; V473-T475 VanDerWaalsContact C-N 3.31Å; V473-T475 PolarHBondContact O-N 3.04Å; T475-T478 PolarHBondContact O-N 3.47Å; T475-A479 WeakPolarHBondContact O-CB 3.16Å; T475-A479 PolarHBondContact O-N 2.89Å
476	L	96.1	Very high	92.6	Very high	74 Å²	74	45.5 Å²	45.5	39%	0.387	23%	0.232	S	C	.	.	H	α-helix	trans	-60.1	-48	178	-180	63.7	0	0	0	111.3	I255 V259 L472 V473 T478 A479 I480	I255-L476 HydrophobicContact CG2-CD1 3.61Å; V259-L476 HydrophobicContact CG2-CB 4.37Å; V259-L476 HydrophobicContact CG2-CD1 4.28Å; L472-L476 VanDerWaalsContact O-CB 3.28Å; L472-L476 WeakPolarHBondContact O-CB 3.39Å; L472-L476 PolarHBondContact O-N 3.31Å; V473-L476 PolarHBondContact O-N 3.43Å; L476-T478 VanDerWaalsContact C-N 3.33Å; L476-T478 PolarHBondContact O-N 2.98Å; L476-A479 PolarHBondContact O-N 3.03Å; L476-I480 HydrophobicContact CD1-CD1 3.95Å; L476-I480 HydrophobicContact CD1-CG1 4.41Å; L476-I480 HydrophobicContact CG-CD1 3.87Å; L476-I480 WeakPolarHBondContact O-CB 3.48Å; L476-I480 WeakPolarHBondContact O-CD1 3.39Å; L476-I480 VanDerWaalsContact O-CG1 3.22Å; L476-I480 WeakPolarHBondContact O-CG1 3.48Å; L476-I480 PolarHBondContact O-N 3.17Å
477	I	95.5	Very high	92.6	Very high	82 Å²	82	40.6 Å²	40.6	42%	0.421	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-43.5	177.2	-66.9	168.2	0	0	0	110.5	V473 V474 A479 I480 L481	V473-I477 HydrophobicContact CG1-CD1 3.83Å; V473-I477 WeakPolarHBondContact O-CG1 3.49Å; V473-I477 PolarHBondContact O-N 3.33Å; V474-I477 PolarHBondContact O-N 3.28Å; I477-A479 PolarHBondContact O-N 3.4Å; I477-I480 PolarHBondContact O-N 3.01Å; I477-L481 HydrophobicContact CG2-CD1 3.8Å; I477-L481 HydrophobicContact CG2-CG 4.38Å; I477-L481 WeakPolarHBondContact O-CB 2.83Å; I477-L481 WeakPolarHBondContact O-CG 3.5Å; I477-L481 PolarHBondContact O-N 2.81Å
478	T	94.8	Very high	92.5	Very high	4 Å²	4	40.9 Å²	40.9	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-46	178.5	-54.5	0	0	0	0	110.6	V474 T475 L476 I480 L481 S482 L552	V474-T478 WeakPolarHBondContact O-CB 3.37Å; V474-T478 PolarHBondContact O-N 3.48Å; V474-T478 PolarHBondContact O-OG1 3.44Å; T475-T478 PolarHBondContact O-N 3.47Å; L476-T478 VanDerWaalsContact C-N 3.33Å; L476-T478 PolarHBondContact O-N 2.98Å; T478-I480 PolarHBondContact O-N 3.47Å; T478-L481 PolarHBondContact O-N 2.97Å; T478-S482 WeakPolarHBondContact O-CB 3.48Å; T478-S482 PolarHBondContact O-N 3.47Å; T478-S482 PolarHBondContact O-OG 3.38Å; T478-L552 HydrophobicContact CG2-CD1 4.37Å; T478-L552 HydrophobicContact CG2-CD2 4.42Å
479	A	93.9	Very high	92.3	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.033	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-40.3	179.6	0	0	0	0	0	112.5	Y254 I255 A258 T475 L476 I477 F483	Y254-A479 HydrophobicContact CD1-CB 4.29Å; Y254-A479 HydrophobicContact CE1-CB 4.09Å; I255-A479 HydrophobicContact CG1-CB 4.02Å; A258-A479 HydrophobicContact CB-CB 4.02Å; T475-A479 WeakPolarHBondContact O-CB 3.16Å; T475-A479 PolarHBondContact O-N 2.89Å; L476-A479 PolarHBondContact O-N 3.03Å; I477-A479 PolarHBondContact O-N 3.4Å; A479-F483 PolarHBondContact O-N 2.68Å
480	I	94.3	Very high	91.8	Very high	72 Å²	72	37.6 Å²	37.6	37%	0.369	20%	0.199	S	C	.	.	H	α-helix	trans	-62.9	-42.9	176.7	-72.6	168	0	0	0	111.4	Y251 I255 L476 I477 T478 P484	Y251-I480 VanDerWaalsContact OH-CA 3.26Å; Y251-I480 WeakPolarHBondContact OH-CA 3.49Å; Y251-I480 WeakPolarHBondContact OH-CG2 3.46Å; Y251-I480 PolarHBondContact OH-O 3.44Å; I255-I480 HydrophobicContact CD1-CG1 3.95Å; L476-I480 HydrophobicContact CD1-CD1 3.95Å; L476-I480 HydrophobicContact CD1-CG1 4.41Å; L476-I480 HydrophobicContact CG-CD1 3.87Å; L476-I480 WeakPolarHBondContact O-CB 3.48Å; L476-I480 WeakPolarHBondContact O-CD1 3.39Å; L476-I480 VanDerWaalsContact O-CG1 3.22Å; L476-I480 WeakPolarHBondContact O-CG1 3.48Å; L476-I480 PolarHBondContact O-N 3.17Å; I477-I480 PolarHBondContact O-N 3.01Å; T478-I480 PolarHBondContact O-N 3.47Å; I480-P484 WeakPolarHBondContact O-CD 3.26Å
481	L	93	Very high	91.3	Very high	68 Å²	68	38.5 Å²	38.5	36%	0.356	21%	0.205	S	C	.	.	H	α-helix	trans	-79.2	-31.9	-178.9	-66.7	175.8	0	0	0	113	I477 T478 L552	I477-L481 HydrophobicContact CG2-CD1 3.8Å; I477-L481 HydrophobicContact CG2-CG 4.38Å; I477-L481 WeakPolarHBondContact O-CB 2.83Å; I477-L481 WeakPolarHBondContact O-CG 3.5Å; I477-L481 PolarHBondContact O-N 2.81Å; T478-L481 PolarHBondContact O-N 2.97Å; L481-L552 HydrophobicContact CD1-CD2 4.39Å
482	S	91.4	Very high	91	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.028	21%	0.211	C	C	.	.	H	α-helix	trans	-74.8	-40.9	-176.1	-79.4	0	0	0	0	113.2	T478 H485 L488 R489	T478-S482 WeakPolarHBondContact O-CB 3.48Å; T478-S482 PolarHBondContact O-N 3.47Å; T478-S482 PolarHBondContact O-OG 3.38Å; S482-H485 CarbonylContact O-C 3.55Å; S482-H485 PolarHBondContact O-N 3.43Å; S482-L488 WeakPolarHBondContact CB-O 3.49Å; S482-L488 PolarHBondContact OG-O 3.42Å; S482-L488 VanDerWaalsContact OG-O 3.06Å; S482-R489 WeakPolarHBondContact O-CB 3.47Å; S482-R489 PolarHBondContact O-N 2.92Å
483	F	88.5	Confident	90.6	Very high	18 Å²	18	38.8 Å²	38.8	8%	0.079	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-43	-172.4	-170.1	-92.8	0	0	0	114.5	Y247 Y251 Y254 A479 H485	Y247-F483 HydrophobicContact CD1-CE1 4.39Å; Y247-F483 HydrophobicContact CD2-CE1 4.13Å; Y247-F483 HydrophobicContact CE1-CD1 4.27Å; Y247-F483 AromaticContact CE1-CE1 3.86Å; Y247-F483 HydrophobicContact CE1-CE1 3.86Å; Y247-F483 HydrophobicContact CE2-CD1 4.31Å; Y247-F483 AromaticContact CE2-CE1 3.58Å; Y247-F483 HydrophobicContact CE2-CE1 3.58Å; Y247-F483 HydrophobicContact CE2-CZ 4.39Å; Y247-F483 AromaticContact CZ-CD1 3.79Å; Y247-F483 AromaticContact CZ-CE1 3.42Å; Y247-F483 VanDerWaalsContact CZ-CE1 3.42Å; Y247-F483 WeakPolarHBondContact OH-CD1 3.45Å; Y251-F483 VanDerWaalsContact CB-CE1 3.47Å; Y251-F483 HydrophobicContact CD2-CB 3.44Å; Y251-F483 VanDerWaalsContact CD2-CB 3.44Å; Y251-F483 AromaticContact CD2-CD1 3.3Å; Y251-F483 HydrophobicContact CD2-CD1 3.3Å; Y251-F483 HydrophobicContact CD2-CD2 4.06Å; Y251-F483 HydrophobicContact CD2-CE1 4.01Å; Y251-F483 AromaticContact CD2-CG 3.33Å; Y251-F483 HydrophobicContact CD2-CG 3.33Å; Y251-F483 HydrophobicContact CE2-CB 3.48Å; Y251-F483 VanDerWaalsContact CE2-CB 3.48Å; Y251-F483 HydrophobicContact CE2-CD1 4.03Å; Y251-F483 AromaticContact CE2-CG 3.93Å; Y251-F483 HydrophobicContact CE2-CG 3.93Å; Y251-F483 AromaticContact CG-CD1 3.62Å; Y251-F483 HydrophobicContact CG-CD1 3.62Å; Y251-F483 AromaticContact CG-CE1 3.94Å; Y251-F483 HydrophobicContact CG-CE1 3.94Å; Y251-F483 HydrophobicContact CG-CG 4.12Å; Y254-F483 HydrophobicContact CD1-CB 4.14Å; Y254-F483 AromaticContact CD1-CD2 3.87Å; Y254-F483 HydrophobicContact CD1-CD2 3.87Å; Y254-F483 HydrophobicContact CD1-CG 4.45Å; Y254-F483 AromaticContact CD2-CD2 3.98Å; Y254-F483 HydrophobicContact CD2-CD2 3.98Å; Y254-F483 HydrophobicContact CD2-CE2 4.43Å; Y254-F483 HydrophobicContact CE1-CB 4.34Å; Y254-F483 HydrophobicContact CE1-CD2 4.49Å; Y254-F483 AromaticContact CG-CD2 3.59Å; Y254-F483 HydrophobicContact CG-CD2 3.59Å; Y254-F483 HydrophobicContact CG-CE2 4.18Å; A479-F483 PolarHBondContact O-N 2.68Å; F483-H485 PolarHBondContact O-N 3.49Å
484	P	89.4	Confident	90	Very high	75 Å²	75	38.3 Å²	38.3	49%	0.487	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.4	178.1	-19.9	33.5	0	0	0	113.5	I480	I480-P484 WeakPolarHBondContact O-CD 3.26Å
485	H	89.3	Confident	89.8	Confident	15 Å²	15	37.5 Å²	37.5	7%	0.069	20%	0.197	C	C	.	.	S	Bend	trans	-107.9	105.4	-170.8	-173.1	-51	0	0	0	110.5	S482 F483 Y487 L488 R489 L541	S482-H485 CarbonylContact O-C 3.55Å; S482-H485 PolarHBondContact O-N 3.43Å; F483-H485 PolarHBondContact O-N 3.49Å; H485-Y487 VanDerWaalsContact C-N 3.33Å; H485-Y487 AromaticContact CE1-CD2 3.87Å; H485-Y487 PolarHBondContact ND1-N 3.36Å; H485-Y487 PolarHBondContact O-N 3.48Å; H485-Y487 VanDerWaalsContact O-N 3.1Å; H485-L488 HydrophobicContact CB-CB 4.06Å; H485-L488 HydrophobicContact CB-CD1 3.88Å; H485-L488 HydrophobicContact CB-CG 4.33Å; H485-L488 PolarHBondContact ND1-N 3.24Å; H485-L488 WeakPolarHBondContact O-CA 3.19Å; H485-L488 PolarHBondContact O-N 2.9Å; H485-R489 PolarHBondContact O-N 3.41Å; H485-L541 VanDerWaalsContact CE1-CG 3.5Å; H485-L541 WeakPolarHBondContact CE1-CG 3.31Å; H485-L541 PolarHBondContact CE1-O 2.86Å; H485-L541 VanDerWaalsContact NE2-CD1 3.33Å; H485-L541 WeakPolarHBondContact NE2-CD1 3.4Å; H485-L541 PolarHBondContact NE2-O 2.91Å
486	T	85.4	Confident	89.6	Confident	66 Å²	66	37.7 Å²	37.7	41%	0.405	20%	0.198	S	C	.	.	H	α-helix	trans	-47.8	-47.9	-172.3	-43.2	0	0	0	0	114	L488 R489 M490	T486-L488 VanDerWaalsContact C-N 3.35Å; T486-L488 PolarHBondContact O-N 3.49Å; T486-R489 PolarHBondContact O-N 2.97Å; T486-M490 HydrophobicContact CG2-CE 4.39Å; T486-M490 PolarHBondContact O-N 3.48Å
487	Y	87.8	Confident	89.2	Confident	8 Å²	8	38.3 Å²	38.3	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-72.8	-19.9	179.6	-54.2	-56.3	0	0	0	115.2	H485 L495 L498 S510 A538 L541 L542	H485-Y487 VanDerWaalsContact C-N 3.33Å; H485-Y487 AromaticContact CE1-CD2 3.87Å; H485-Y487 PolarHBondContact ND1-N 3.36Å; H485-Y487 PolarHBondContact O-N 3.48Å; H485-Y487 VanDerWaalsContact O-N 3.1Å; Y487-L495 HydrophobicContact CD1-CD1 4.05Å; Y487-L495 HydrophobicContact CG-CD1 4.41Å; Y487-L498 HydrophobicContact CD1-CD2 4.46Å; Y487-L498 HydrophobicContact CE1-CD2 4.19Å; Y487-S510 PolarHBondContact OH-OG 3.28Å; Y487-A538 WeakPolarHBondContact OH-CB 3.1Å; Y487-L541 HydrophobicContact CD2-CB 4.26Å; Y487-L541 HydrophobicContact CD2-CD2 3.77Å; Y487-L541 HydrophobicContact CD2-CG 3.8Å; Y487-L541 HydrophobicContact CE2-CB 3.96Å; Y487-L541 HydrophobicContact CE2-CD2 3.58Å; Y487-L541 HydrophobicContact CE2-CG 3.85Å; Y487-L542 HydrophobicContact CD1-CD2 4.4Å; Y487-L542 HydrophobicContact CD2-CD2 3.73Å; Y487-L542 HydrophobicContact CD2-CG 4.15Å; Y487-L542 HydrophobicContact CE2-CD2 3.86Å; Y487-L542 HydrophobicContact CE2-CG 3.87Å; Y487-L542 HydrophobicContact CG-CD2 4.03Å
488	L	88.2	Confident	88.9	Confident	10 Å²	10	35.3 Å²	35.3	5%	0.052	18%	0.182	C	C	.	.	H	α-helix	trans	-89.4	-23.1	175.1	-76.2	168.5	0	0	0	111.9	S482 H485 T486 L548 K549 L552	S482-L488 WeakPolarHBondContact CB-O 3.49Å; S482-L488 PolarHBondContact OG-O 3.42Å; S482-L488 VanDerWaalsContact OG-O 3.06Å; H485-L488 HydrophobicContact CB-CB 4.06Å; H485-L488 HydrophobicContact CB-CD1 3.88Å; H485-L488 HydrophobicContact CB-CG 4.33Å; H485-L488 PolarHBondContact ND1-N 3.24Å; H485-L488 WeakPolarHBondContact O-CA 3.19Å; H485-L488 PolarHBondContact O-N 2.9Å; T486-L488 VanDerWaalsContact C-N 3.35Å; T486-L488 PolarHBondContact O-N 3.49Å; L488-L548 HydrophobicContact CD1-CB 3.88Å; L488-L548 HydrophobicContact CD1-CD1 3.56Å; L488-L548 HydrophobicContact CD1-CG 4.38Å; L488-K549 HydrophobicContact CD2-CD 4.44Å; L488-K549 HydrophobicContact CD2-CG 3.52Å; L488-L552 HydrophobicContact CD2-CD1 4.4Å
489	R	88.2	Confident	88.7	Confident	84 Å²	84	35.1 Å²	35.1	32%	0.317	18%	0.181	S	C	.	.	H	α-helix	trans	-70.9	-40.9	173	-169.2	173.1	68.9	-177.9	1.2	111.8	Y254 S482 H485 T486	Y254-R489 HydrophobicContact CE2-CG 4.3Å; S482-R489 WeakPolarHBondContact O-CB 3.47Å; S482-R489 PolarHBondContact O-N 2.92Å; H485-R489 PolarHBondContact O-N 3.41Å; T486-R489 PolarHBondContact O-N 2.97Å
490	M	83.7	Confident	88.4	Confident	42 Å²	42	35.3 Å²	35.3	21%	0.207	18%	0.182	C	C	.	.	S	Bend	trans	-59.7	145.5	178.9	-73.9	171.2	167.9	0	0	112.6	T486 L498	T486-M490 HydrophobicContact CG2-CE 4.39Å; T486-M490 PolarHBondContact O-N 3.48Å; M490-L498 HydrophobicContact SD-CD2 4.24Å
491	N	83	Confident	87.9	Confident	43 Å²	43	33.4 Å²	33.4	23%	0.23	18%	0.175	C	C	.	.			trans	-58.6	139.2	171.8	-75.4	-36	0	0	0	110.1	S195 S493 E494 L495	S195-N491 WeakPolarHBondContact CB-ND2 3.48Å; S195-N491 WeakPolarHBondContact CB-OD1 3.27Å; S195-N491 PolarHBondContact OG-OD1 3.34Å; S195-N491 VanDerWaalsContact OG-OD1 3.05Å; N491-S493 VanDerWaalsContact C-N 3.26Å; N491-S493 PolarHBondContact O-N 3.41Å; N491-E494 HydrophobicContact CB-CB 4.22Å; N491-E494 WeakPolarHBondContact O-CB 3.46Å; N491-E494 PolarHBondContact O-N 3.08Å; N491-E494 VanDerWaalsContact O-N 3.07Å; N491-L495 PolarHBondContact O-N 3.02Å
492	T	88.1	Confident	87.3	Confident	20 Å²	20	35 Å²	35	12%	0.123	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-33.4	-172.5	-54.5	0	0	0	0	113	I496 I567 A571	T492-I496 WeakPolarHBondContact O-CG1 3.47Å; T492-I496 PolarHBondContact O-N 2.87Å; T492-I496 VanDerWaalsContact O-N 3.14Å; T492-I567 HydrophobicContact CG2-CG2 3.47Å; T492-I567 VanDerWaalsContact CG2-CG2 3.47Å; T492-A571 HydrophobicContact CG2-CB 3.37Å
493	S	86.2	Confident	86.7	Confident	26 Å²	26	36.6 Å²	36.6	18%	0.182	19%	0.187	C	C	.	.	H	α-helix	trans	-69.1	-39.5	175.6	-54.8	0	0	0	0	112.7	N491 I496 K497	N491-S493 VanDerWaalsContact C-N 3.26Å; N491-S493 PolarHBondContact O-N 3.41Å; S493-I496 PolarHBondContact O-N 3.12Å; S493-K497 PolarHBondContact O-N 2.9Å
494	E	84	Confident	85.8	Confident	71 Å²	71	39.5 Å²	39.5	33%	0.332	21%	0.209	S	C	.	.	H	α-helix	trans	-67	-39.4	176	-170	-173.1	172	0	0	110.9	M416 N491 I496 K497 L498	M416-E494 HydrophobicContact CE-CB 4.14Å; M416-E494 HydrophobicContact CE-CG 4.23Å; M416-E494 HydrophobicContact SD-CB 4.48Å; N491-E494 HydrophobicContact CB-CB 4.22Å; N491-E494 WeakPolarHBondContact O-CB 3.46Å; N491-E494 PolarHBondContact O-N 3.08Å; N491-E494 VanDerWaalsContact O-N 3.07Å; E494-I496 VanDerWaalsContact C-N 3.31Å; E494-I496 PolarHBondContact O-N 2.96Å; E494-K497 WeakPolarHBondContact O-CB 3.3Å; E494-K497 PolarHBondContact O-N 3.09Å; E494-K497 VanDerWaalsContact O-N 3.16Å; E494-L498 PolarHBondContact O-N 2.95Å
495	L	90.2	Very high	84.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-41.9	173.1	179.1	65.1	0	0	0	111.8	Y487 N491 L498 L499 K549 I575	Y487-L495 HydrophobicContact CD1-CD1 4.05Å; Y487-L495 HydrophobicContact CG-CD1 4.41Å; N491-L495 PolarHBondContact O-N 3.02Å; L495-L498 PolarHBondContact O-N 3.35Å; L495-L499 HydrophobicContact CD1-CD1 4.1Å; L495-L499 HydrophobicContact CD1-CG 4.28Å; L495-L499 HydrophobicContact CG-CD1 3.84Å; L495-L499 HydrophobicContact CG-CG 4.45Å; L495-L499 WeakPolarHBondContact O-CB 3.12Å; L495-L499 WeakPolarHBondContact O-CD1 3.36Å; L495-L499 WeakPolarHBondContact O-CG 3.4Å; L495-L499 PolarHBondContact O-N 2.93Å; L495-K549 HydrophobicContact CD2-CD 4.48Å; L495-I575 HydrophobicContact CD2-CD1 4.29Å
496	I	91	Very high	83.3	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-45	175.5	-66.3	164.8	0	0	0	110.2	F417 T492 S493 E494 L498 L499 V500 I567 L570 A571	F417-I496 HydrophobicContact CB-CB 4.43Å; F417-I496 HydrophobicContact CB-CG2 4.01Å; F417-I496 HydrophobicContact CD2-CG2 4.03Å; F417-I496 HydrophobicContact CG-CG2 4.02Å; T492-I496 WeakPolarHBondContact O-CG1 3.47Å; T492-I496 PolarHBondContact O-N 2.87Å; T492-I496 VanDerWaalsContact O-N 3.14Å; S493-I496 PolarHBondContact O-N 3.12Å; E494-I496 VanDerWaalsContact C-N 3.31Å; E494-I496 PolarHBondContact O-N 2.96Å; I496-L498 VanDerWaalsContact C-N 3.3Å; I496-L498 PolarHBondContact O-N 3.02Å; I496-L499 PolarHBondContact O-N 3.43Å; I496-V500 HydrophobicContact CG2-CG2 4.11Å; I496-V500 WeakPolarHBondContact O-CB 3.33Å; I496-V500 VanDerWaalsContact O-CG2 3.32Å; I496-V500 WeakPolarHBondContact O-CG2 3.19Å; I496-V500 PolarHBondContact O-N 3.03Å; I496-I567 HydrophobicContact CD1-CD1 4.37Å; I496-I567 HydrophobicContact CD1-CG2 4.12Å; I496-L570 HydrophobicContact CD1-CB 3.93Å; I496-A571 HydrophobicContact CD1-CB 4.1Å; I496-A571 HydrophobicContact CG1-CB 3.89Å
497	K	87.7	Confident	82.4	Confident	87 Å²	87	42.1 Å²	42.1	38%	0.378	24%	0.243	S	C	.	.	H	α-helix	trans	-55.3	-46.4	175.8	-172.7	-170.4	-173.5	179.3	0	111	M416 F417 S493 E494 S501	M416-K497 VanDerWaalsContact O-CD 3.29Å; M416-K497 WeakPolarHBondContact O-CD 3.4Å; F417-K497 HydrophobicContact CB-CB 4.08Å; S493-K497 PolarHBondContact O-N 2.9Å; E494-K497 WeakPolarHBondContact O-CB 3.3Å; E494-K497 PolarHBondContact O-N 3.09Å; E494-K497 VanDerWaalsContact O-N 3.16Å; K497-S501 VanDerWaalsContact O-CB 3.3Å; K497-S501 WeakPolarHBondContact O-CB 3.35Å; K497-S501 PolarHBondContact O-N 3.47Å
498	L	88.2	Confident	81.3	Confident	18 Å²	18	48.5 Å²	48.5	9%	0.094	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-47.3	177.5	-177.7	67.5	0	0	0	112	Y487 M490 E494 L495 I496 V500 S501 F509	Y487-L498 HydrophobicContact CD1-CD2 4.46Å; Y487-L498 HydrophobicContact CE1-CD2 4.19Å; M490-L498 HydrophobicContact SD-CD2 4.24Å; E494-L498 PolarHBondContact O-N 2.95Å; L495-L498 PolarHBondContact O-N 3.35Å; I496-L498 VanDerWaalsContact C-N 3.3Å; I496-L498 PolarHBondContact O-N 3.02Å; L498-V500 VanDerWaalsContact C-N 3.34Å; L498-V500 PolarHBondContact O-N 3.13Å; L498-S501 PolarHBondContact O-N 2.88Å; L498-S501 PolarHBondContact O-OG 3.05Å; L498-F509 HydrophobicContact CD1-CB 4.38Å; L498-F509 HydrophobicContact CD1-CD1 3.91Å; L498-F509 HydrophobicContact CD1-CD2 3.86Å; L498-F509 HydrophobicContact CD1-CE1 4.14Å; L498-F509 HydrophobicContact CD1-CE2 4.11Å; L498-F509 HydrophobicContact CD1-CG 3.77Å; L498-F509 HydrophobicContact CD1-CZ 4.24Å
499	L	90.7	Very high	80.7	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-66.4	-35.5	-177.6	-69.6	165	0	0	0	113	L495 I496 L511 L542 A574 I575 R578 A614	L495-L499 HydrophobicContact CD1-CD1 4.1Å; L495-L499 HydrophobicContact CD1-CG 4.28Å; L495-L499 HydrophobicContact CG-CD1 3.84Å; L495-L499 HydrophobicContact CG-CG 4.45Å; L495-L499 WeakPolarHBondContact O-CB 3.12Å; L495-L499 WeakPolarHBondContact O-CD1 3.36Å; L495-L499 WeakPolarHBondContact O-CG 3.4Å; L495-L499 PolarHBondContact O-N 2.93Å; I496-L499 PolarHBondContact O-N 3.43Å; L499-L511 HydrophobicContact CD2-CD2 4.31Å; L499-L542 HydrophobicContact CD2-CD1 4.29Å; L499-L542 HydrophobicContact CD2-CD2 4.03Å; L499-A574 HydrophobicContact CB-CB 4.18Å; L499-A574 HydrophobicContact CD1-CB 3.77Å; L499-I575 HydrophobicContact CD1-CB 4.47Å; L499-I575 HydrophobicContact CD1-CG1 3.59Å; L499-I575 HydrophobicContact CD2-CG1 4.48Å; L499-R578 HydrophobicContact CD2-CB 3.9Å; L499-R578 HydrophobicContact CD2-CG 3.95Å; L499-R578 WeakPolarHBondContact O-CD 3.21Å; L499-R578 PolarHBondContact O-NH1 3.3Å; L499-A614 HydrophobicContact CB-CB 4.47Å; L499-A614 WeakPolarHBondContact O-CB 3.45Å
500	V	89	Confident	80.2	Confident	7 Å²	7	51.5 Å²	51.5	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-85.8	-12.8	177.9	-176.7	0	0	0	0	111.2	V419 Y421 I496 L498 A614 M615	V419-V500 HydrophobicContact CB-CG1 3.98Å; V419-V500 HydrophobicContact CG1-CG1 4.42Å; V419-V500 HydrophobicContact CG2-CB 4.2Å; V419-V500 HydrophobicContact CG2-CG1 3.65Å; Y421-V500 HydrophobicContact CE2-CG1 3.78Å; Y421-V500 WeakPolarHBondContact OH-CG1 3.46Å; Y421-V500 PolarHBondContact OH-O 2.98Å; I496-V500 HydrophobicContact CG2-CG2 4.11Å; I496-V500 WeakPolarHBondContact O-CB 3.33Å; I496-V500 VanDerWaalsContact O-CG2 3.32Å; I496-V500 WeakPolarHBondContact O-CG2 3.19Å; I496-V500 PolarHBondContact O-N 3.03Å; L498-V500 VanDerWaalsContact C-N 3.34Å; L498-V500 PolarHBondContact O-N 3.13Å; V500-A614 HydrophobicContact CG2-CB 4.21Å; V500-M615 HydrophobicContact CB-CG 4.28Å; V500-M615 HydrophobicContact CG1-CG 3.35Å; V500-M615 HydrophobicContact CG1-SD 3.51Å; V500-M615 VanDerWaalsContact CG1-SD 3.51Å; V500-M615 HydrophobicContact CG2-CG 3.87Å
501	S	83.3	Confident	80.2	Confident	32 Å²	32	49.6 Å²	49.6	22%	0.224	29%	0.29	C	S	.	.	S	Bend	trans	-67.8	152	177.3	72.2	0	0	0	0	112.7	K497 L498 R578	K497-S501 VanDerWaalsContact O-CB 3.3Å; K497-S501 WeakPolarHBondContact O-CB 3.35Å; K497-S501 PolarHBondContact O-N 3.47Å; L498-S501 PolarHBondContact O-N 2.88Å; L498-S501 PolarHBondContact O-OG 3.05Å; S501-R578 PolarHBondContact O-NH1 2.96Å
502	R	79.5	Confident	80.1	Confident	102 Å²	102	47.9 Å²	47.9	39%	0.385	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-84.1	143.3	170.4	-62.9	179.1	-179.2	-170.7	-7.3	109.3	Y421 S504 N609	Y421-R502 VanDerWaalsContact CA-NH2 3.26Å; Y421-R502 VanDerWaalsContact CD1-NH2 3.3Å; Y421-R502 HydrophobicContact CE1-CG 4.23Å; R502-S504 PolarHBondContact O-N 3.5Å; R502-N609 PolarHBondContact NE-ND2 3.38Å
503	C	78.9	Confident	79.9	Confident	37 Å²	37	49.5 Å²	49.5	25%	0.25	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-78	121.6	171.3	-66.1	0	0	0	0	109.4	C512 Y514 R578	C503-C512 WeakPolarHBondContact CA-SG 3.46Å; C503-C512 HydrophobicContact CB-CB 3.58Å; C503-C512 WeakPolarHBondContact CB-SG 3.38Å; C503-C512 WeakPolarHBondContact SG-CA 3.44Å; C503-C512 WeakPolarHBondContact SG-CB 3.44Å; C503-C512 CovalentContact SG-SG 2.05Å; C503-C512 PolarHBondContact SG-SG 2.96Å; C503-Y514 HydrophobicContact CB-CD2 4.42Å; C503-Y514 HydrophobicContact CB-CE2 4.24Å; C503-R578 PolarHBondContact SG-NH2 3.18Å; C503-R578 VanDerWaalsContact SG-NH2 3.36Å
504	S	70.9	Confident	79.6	Confident	79 Å²	79	49 Å²	49	55%	0.552	28%	0.283	S	S	*	.			trans	-106.2	148.1	173.4	-150.1	0	0	0	0	108.9	R502 G506 S507	R502-S504 PolarHBondContact O-N 3.5Å; S504-G506 PolarHBondContact O-N 3.29Å; S504-S507 PolarHBondContact O-N 2.88Å; S504-S507 VanDerWaalsContact O-N 3.15Å; S504-S507 PolarHBondContact O-OG 3.22Å
505	P	62.9	Low	79.4	Confident	103 Å²	103	50.8 Å²	50.8	67%	0.669	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	123.8	174.4	11.2	-14	0	0	0	110
506	G	62.4	Low	78.6	Confident	74 Å²	74	54 Å²	54	76%	0.763	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.3	10.3	-175.1	0	0	0	0	0	115.6	S504	S504-G506 PolarHBondContact O-N 3.29Å
507	S	66.7	Low	77.5	Confident	34 Å²	34	60.6 Å²	60.6	24%	0.238	34%	0.341	C	S	.	.			trans	-86.3	116.6	171.6	47.3	0	0	0	0	111.3	S504 F509 C512	S504-S507 PolarHBondContact O-N 2.88Å; S504-S507 VanDerWaalsContact O-N 3.15Å; S504-S507 PolarHBondContact O-OG 3.22Å; S507-F509 PolarHBondContact O-N 3.45Å; S507-C512 WeakPolarHBondContact OG-CB 3.31Å
508	D	64.5	Low	76.5	Confident	143 Å²	143	57.8 Å²	57.8	77%	0.765	33%	0.331	S	S	*	.			trans	-77.7	15.8	-174	-78.7	-3.6	0	0	0	114.9
509	F	74.9	Confident	75.6	Confident	109 Å²	109	62.5 Å²	62.5	48%	0.478	37%	0.365	S	S	.	.			trans	-82.5	135.9	177.7	-56.4	-67.3	0	0	0	110.7	L498 S507 L511 C512	L498-F509 HydrophobicContact CD1-CB 4.38Å; L498-F509 HydrophobicContact CD1-CD1 3.91Å; L498-F509 HydrophobicContact CD1-CD2 3.86Å; L498-F509 HydrophobicContact CD1-CE1 4.14Å; L498-F509 HydrophobicContact CD1-CE2 4.11Å; L498-F509 HydrophobicContact CD1-CG 3.77Å; L498-F509 HydrophobicContact CD1-CZ 4.24Å; S507-F509 PolarHBondContact O-N 3.45Å; F509-L511 PolarHBondContact O-N 3.11Å; F509-C512 WeakPolarHBondContact O-CA 3.48Å; F509-C512 PolarHBondContact O-N 3.35Å
510	S	79.3	Confident	74.6	Confident	48 Å²	48	65.9 Å²	65.9	34%	0.336	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-56.6	-19.6	174	58.6	0	0	0	0	114.1	Y487 C512 L535	Y487-S510 PolarHBondContact OH-OG 3.28Å; S510-C512 VanDerWaalsContact C-N 3.29Å; S510-L535 WeakPolarHBondContact O-CA 3.45Å
511	L	81.8	Confident	73.5	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.01	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-77.6	-13.3	175	-163.9	65.8	0	0	0	113.4	L499 F509 L535 L542 R578 I582	L499-L511 HydrophobicContact CD2-CD2 4.31Å; F509-L511 PolarHBondContact O-N 3.11Å; L511-L535 HydrophobicContact CD1-CD1 4.11Å; L511-L535 WeakPolarHBondContact O-CD1 3.28Å; L511-L542 HydrophobicContact CD1-CD1 3.71Å; L511-R578 HydrophobicContact CD1-CG 4.42Å; L511-R578 HydrophobicContact CD2-CG 4.13Å; L511-I582 HydrophobicContact CD1-CD1 3.72Å
512	C	81.1	Confident	72.8	Confident	7 Å²	7	71.1 Å²	71.1	5%	0.047	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-115.4	16.2	-178.3	-66.1	0	0	0	0	113.2	C503 S507 F509 S510 Y514	C503-C512 WeakPolarHBondContact CA-SG 3.46Å; C503-C512 HydrophobicContact CB-CB 3.58Å; C503-C512 WeakPolarHBondContact CB-SG 3.38Å; C503-C512 WeakPolarHBondContact SG-CA 3.44Å; C503-C512 WeakPolarHBondContact SG-CB 3.44Å; C503-C512 CovalentContact SG-SG 2.05Å; C503-C512 PolarHBondContact SG-SG 2.96Å; S507-C512 WeakPolarHBondContact OG-CB 3.31Å; F509-C512 WeakPolarHBondContact O-CA 3.48Å; F509-C512 PolarHBondContact O-N 3.35Å; S510-C512 VanDerWaalsContact C-N 3.29Å; C512-Y514 WeakPolarHBondContact O-CD2 3.42Å; C512-Y514 PolarHBondContact O-N 3.14Å
513	D	83.9	Confident	72.3	Confident	54 Å²	54	66.7 Å²	66.7	29%	0.289	40%	0.397	S	S	.	.			trans	-74.9	89	172.7	-179.3	28.1	0	0	0	111.3	G532 S534	D513-G532 WeakPolarHBondContact O-CA 3.49Å; D513-G532 PolarHBondContact O-N 3.46Å; D513-S534 WeakPolarHBondContact CB-OG 3.47Å; D513-S534 VanDerWaalsContact OD2-CB 3.3Å; D513-S534 WeakPolarHBondContact OD2-CB 3.36Å; D513-S534 PolarHBondContact OD2-N 2.98Å; D513-S534 PolarHBondContact OD2-OG 2.72Å
514	Y	80.6	Confident	71.7	Confident	14 Å²	14	70.6 Å²	70.6	6%	0.055	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-118.4	140.9	178.5	-73.7	-84.9	0	0	0	110.5	C503 C512 F516 Y529 L535 E585	C503-Y514 HydrophobicContact CB-CD2 4.42Å; C503-Y514 HydrophobicContact CB-CE2 4.24Å; C512-Y514 WeakPolarHBondContact O-CD2 3.42Å; C512-Y514 PolarHBondContact O-N 3.14Å; Y514-F516 WeakPolarHBondContact O-CD2 3.13Å; Y514-F516 WeakPolarHBondContact O-CE2 3.44Å; Y514-F516 PolarHBondContact O-N 2.82Å; Y514-Y529 WeakPolarHBondContact CD1-O 3.41Å; Y514-L535 HydrophobicContact CD1-CD2 4.46Å; Y514-L535 HydrophobicContact CE1-CD2 3.98Å; Y514-L535 HydrophobicContact CE2-CD2 4.43Å; Y514-E585 WeakPolarHBondContact CE1-OE1 3.38Å; Y514-E585 PolarHBondContact OH-OE2 2.92Å
515	H	79.7	Confident	71.7	Confident	110 Å²	110	69.5 Å²	69.5	51%	0.509	40%	0.4	S	S	.	.			trans	-82.6	84.4	-179.7	-163.5	-84.6	0	0	0	111.7	N517 T518 P530	H515-N517 VanDerWaalsContact C-N 3.25Å; H515-N517 PolarHBondContact O-N 3.01Å; H515-T518 PolarHBondContact ND1-OG1 3.26Å; H515-T518 PolarHBondContact O-OG1 2.75Å; H515-P530 HydrophobicContact CB-CG 4.26Å; H515-P530 PolarHBondContact N-O 3.29Å; H515-P530 VanDerWaalsContact N-O 3.1Å
516	F	73.3	Confident	71.9	Confident	66 Å²	66	65.8 Å²	65.8	29%	0.289	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.1	-176.9	-62.9	-74.1	0	0	0	114.2	Y514 T518 Y529	Y514-F516 WeakPolarHBondContact O-CD2 3.13Å; Y514-F516 WeakPolarHBondContact O-CE2 3.44Å; Y514-F516 PolarHBondContact O-N 2.82Å; F516-T518 VanDerWaalsContact C-N 3.27Å; F516-T518 PolarHBondContact O-N 2.86Å; F516-T518 VanDerWaalsContact O-N 3.17Å; F516-Y529 HydrophobicContact CB-CE1 4.42Å; F516-Y529 HydrophobicContact CD1-CD1 4.16Å; F516-Y529 AromaticContact CD1-CD2 3.58Å; F516-Y529 HydrophobicContact CD1-CD2 3.58Å; F516-Y529 HydrophobicContact CD1-CE1 4.05Å; F516-Y529 AromaticContact CD1-CE2 3.47Å; F516-Y529 HydrophobicContact CD1-CE2 3.47Å; F516-Y529 VanDerWaalsContact CD1-CE2 3.47Å; F516-Y529 AromaticContact CD1-CG 3.93Å; F516-Y529 HydrophobicContact CD1-CG 3.93Å; F516-Y529 AromaticContact CD1-CZ 3.72Å; F516-Y529 AromaticContact CE1-CD2 3.66Å; F516-Y529 HydrophobicContact CE1-CD2 3.66Å; F516-Y529 AromaticContact CE1-CE2 3.71Å; F516-Y529 HydrophobicContact CE1-CE2 3.71Å; F516-Y529 HydrophobicContact CE1-CG 4.33Å
517	N	68	Low	72.4	Confident	145 Å²	145	67 Å²	67	78%	0.775	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	28.4	-174.4	-83	-14.5	0	0	0	115.2	H515	H515-N517 VanDerWaalsContact C-N 3.25Å; H515-N517 PolarHBondContact O-N 3.01Å
518	T	66.6	Low	72.8	Confident	28 Å²	28	65.5 Å²	65.5	17%	0.172	35%	0.348	C	S	.	.			trans	-76	134.2	-175.9	-55.5	0	0	0	0	111.8	H515 F516 N520 K524	H515-T518 PolarHBondContact ND1-OG1 3.26Å; H515-T518 PolarHBondContact O-OG1 2.75Å; F516-T518 VanDerWaalsContact C-N 3.27Å; F516-T518 PolarHBondContact O-N 2.86Å; F516-T518 VanDerWaalsContact O-N 3.17Å; T518-N520 VanDerWaalsContact C-N 3.26Å; T518-N520 HydrophobicContact CG2-CB 3.91Å; T518-N520 PolarHBondContact O-N 3.39Å; T518-K524 VanDerWaalsContact O-CE 3.26Å; T518-K524 WeakPolarHBondContact O-CE 3.32Å
519	S	68.8	Low	73.5	Confident	117 Å²	117	61 Å²	61	82%	0.818	32%	0.32	S	S	*	.			trans	-75.1	-12.9	179.7	56.5	0	0	0	0	113.9	P521	S519-P521 VanDerWaalsContact O-CD 3.29Å; S519-P521 WeakPolarHBondContact O-CD 3.45Å
520	N	69.5	Low	73.9	Confident	72 Å²	72	57.7 Å²	57.7	39%	0.385	31%	0.31	S	S	.	.			trans	-68.5	113.6	179.6	-171.4	-11.6	0	0	0	109.9	T518 M522 T523	T518-N520 VanDerWaalsContact C-N 3.26Å; T518-N520 HydrophobicContact CG2-CB 3.91Å; T518-N520 PolarHBondContact O-N 3.39Å; N520-M522 PolarHBondContact O-N 3.34Å; N520-M522 WeakPolarHBondContact OD1-CB 3.41Å; N520-M522 PolarHBondContact OD1-N 3.11Å; N520-T523 WeakPolarHBondContact CB-OG1 3.22Å; N520-T523 PolarHBondContact ND2-OG1 3.1Å; N520-T523 PolarHBondContact O-N 3.06Å
521	P	67.6	Low	74.1	Confident	92 Å²	92	57.6 Å²	57.6	60%	0.597	31%	0.312	S	S	*	.	H	α-helix	trans	-62.4	-31.2	-176.2	24.9	-33.8	0	0	0	111.7	S519 T523 K524 V525	S519-P521 VanDerWaalsContact O-CD 3.29Å; S519-P521 WeakPolarHBondContact O-CD 3.45Å; P521-T523 PolarHBondContact O-N 3.27Å; P521-K524 PolarHBondContact O-N 3.41Å; P521-V525 WeakPolarHBondContact O-CG2 3.35Å; P521-V525 PolarHBondContact O-N 3.33Å
522	M	68.2	Low	74.2	Confident	58 Å²	58	57.9 Å²	57.9	29%	0.286	32%	0.316	S	S	.	.	H	α-helix	trans	-66.8	-38.9	-176.5	-167.2	165.1	-81.9	0	0	112.4	N520 K524 V525 Y526 A592 V598	N520-M522 PolarHBondContact O-N 3.34Å; N520-M522 WeakPolarHBondContact OD1-CB 3.41Å; N520-M522 PolarHBondContact OD1-N 3.11Å; M522-K524 VanDerWaalsContact C-N 3.34Å; M522-K524 PolarHBondContact O-N 2.84Å; M522-V525 PolarHBondContact O-N 3.15Å; M522-Y526 HydrophobicContact CG-CD2 3.76Å; M522-Y526 HydrophobicContact CG-CE2 3.24Å; M522-Y526 WeakPolarHBondContact O-CD2 3.36Å; M522-Y526 PolarHBondContact O-N 3.46Å; M522-Y526 VanDerWaalsContact O-N 3.14Å; M522-Y526 HydrophobicContact SD-CE2 4.09Å; M522-A592 HydrophobicContact CG-CB 4.25Å; M522-A592 VanDerWaalsContact SD-C 3.53Å; M522-A592 HydrophobicContact SD-CB 3.88Å; M522-V598 HydrophobicContact CE-CG2 4.21Å; M522-V598 HydrophobicContact SD-CG2 4.38Å
523	T	69.4	Low	74.4	Confident	9 Å²	9	62.7 Å²	62.7	6%	0.055	35%	0.347	C	S	.	.	H	α-helix	trans	-63.8	-39.6	176.3	-42.2	0	0	0	0	111.3	N520 P521 Q527 N528 Y529	N520-T523 WeakPolarHBondContact CB-OG1 3.22Å; N520-T523 PolarHBondContact ND2-OG1 3.1Å; N520-T523 PolarHBondContact O-N 3.06Å; P521-T523 PolarHBondContact O-N 3.27Å; T523-Q527 PolarHBondContact O-N 3.08Å; T523-Q527 VanDerWaalsContact O-N 3.12Å; T523-N528 WeakPolarHBondContact CG2-O 3.35Å; T523-Y529 HydrophobicContact CG2-CD1 4.35Å
524	K	66.2	Low	74.4	Confident	118 Å²	118	61.9 Å²	61.9	51%	0.513	35%	0.346	S	S	.	.	H	α-helix	trans	-68.9	-38.8	174.2	-74.4	-176.9	174.5	177.4	0	112.7	T518 P521 M522 Y526 Q527	T518-K524 VanDerWaalsContact O-CE 3.26Å; T518-K524 WeakPolarHBondContact O-CE 3.32Å; P521-K524 PolarHBondContact O-N 3.41Å; M522-K524 VanDerWaalsContact C-N 3.34Å; M522-K524 PolarHBondContact O-N 2.84Å; K524-Y526 VanDerWaalsContact C-N 3.33Å; K524-Y526 PolarHBondContact O-N 2.83Å; K524-Q527 PolarHBondContact O-N 3.3Å
525	V	69.4	Low	74.8	Confident	57 Å²	57	61.3 Å²	61.3	35%	0.345	34%	0.343	S	S	.	.	H	α-helix	trans	-62.7	-41.2	178.7	174.7	0	0	0	0	111.5	P521 M522 S603	P521-V525 WeakPolarHBondContact O-CG2 3.35Å; P521-V525 PolarHBondContact O-N 3.33Å; M522-V525 PolarHBondContact O-N 3.15Å; V525-S603 VanDerWaalsContact CG1-OG 3.3Å; V525-S603 WeakPolarHBondContact CG1-OG 3.03Å
526	Y	68.5	Low	75.2	Confident	25 Å²	25	59.5 Å²	59.5	10%	0.098	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	1.2	-177.2	-54.7	-50.2	0	0	0	114.5	M522 K524 N528 C601 P606 C607	M522-Y526 HydrophobicContact CG-CD2 3.76Å; M522-Y526 HydrophobicContact CG-CE2 3.24Å; M522-Y526 WeakPolarHBondContact O-CD2 3.36Å; M522-Y526 PolarHBondContact O-N 3.46Å; M522-Y526 VanDerWaalsContact O-N 3.14Å; M522-Y526 HydrophobicContact SD-CE2 4.09Å; K524-Y526 VanDerWaalsContact C-N 3.33Å; K524-Y526 PolarHBondContact O-N 2.83Å; Y526-N528 PolarHBondContact O-N 3.33Å; Y526-N528 PolarHBondContact O-OD1 2.87Å; Y526-N528 VanDerWaalsContact O-OD1 3.06Å; Y526-C601 HydrophobicContact CD1-CB 3.53Å; Y526-C601 HydrophobicContact CE1-CB 3.69Å; Y526-C601 HydrophobicContact CG-CB 4.11Å; Y526-P606 WeakPolarHBondContact O-CA 3.38Å; Y526-C607 PolarHBondContact O-N 2.98Å
527	Q	73.2	Confident	75.9	Confident	98 Å²	98	60.5 Å²	60.5	46%	0.458	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	20	-179.1	-61.7	-174.4	-17.5	0	0	115.9	T523 K524 Y529 P606	T523-Q527 PolarHBondContact O-N 3.08Å; T523-Q527 VanDerWaalsContact O-N 3.12Å; K524-Q527 PolarHBondContact O-N 3.3Å; Q527-Y529 WeakPolarHBondContact O-CE2 3.1Å; Q527-P606 HydrophobicContact CB-CB 4.4Å
528	N	75.2	Confident	77	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.021	32%	0.318	C	S	.	.			trans	-106	128.3	174.4	-70.7	22.1	0	0	0	108.2	T523 Y526 E585 V589 C607 I608	T523-N528 WeakPolarHBondContact CG2-O 3.35Å; Y526-N528 PolarHBondContact O-N 3.33Å; Y526-N528 PolarHBondContact O-OD1 2.87Å; Y526-N528 VanDerWaalsContact O-OD1 3.06Å; N528-E585 HydrophobicContact CB-CG 4.29Å; N528-V589 HydrophobicContact CB-CG2 3.8Å; N528-C607 PolarHBondContact OD1-N 2.78Å; N528-C607 VanDerWaalsContact OD1-N 3.15Å; N528-I608 PolarHBondContact ND2-N 3.33Å
529	Y	79.1	Confident	78.2	Confident	47 Å²	47	54.4 Å²	54.4	18%	0.184	32%	0.32	C	S	.	.			trans	-114.2	152	-171.9	-61.4	-84.2	0	0	0	111.5	Y514 F516 T523 Q527 Q586	Y514-Y529 WeakPolarHBondContact CD1-O 3.41Å; F516-Y529 HydrophobicContact CB-CE1 4.42Å; F516-Y529 HydrophobicContact CD1-CD1 4.16Å; F516-Y529 AromaticContact CD1-CD2 3.58Å; F516-Y529 HydrophobicContact CD1-CD2 3.58Å; F516-Y529 HydrophobicContact CD1-CE1 4.05Å; F516-Y529 AromaticContact CD1-CE2 3.47Å; F516-Y529 HydrophobicContact CD1-CE2 3.47Å; F516-Y529 VanDerWaalsContact CD1-CE2 3.47Å; F516-Y529 AromaticContact CD1-CG 3.93Å; F516-Y529 HydrophobicContact CD1-CG 3.93Å; F516-Y529 AromaticContact CD1-CZ 3.72Å; F516-Y529 AromaticContact CE1-CD2 3.66Å; F516-Y529 HydrophobicContact CE1-CD2 3.66Å; F516-Y529 AromaticContact CE1-CE2 3.71Å; F516-Y529 HydrophobicContact CE1-CE2 3.71Å; F516-Y529 HydrophobicContact CE1-CG 4.33Å; T523-Y529 HydrophobicContact CG2-CD1 4.35Å; Q527-Y529 WeakPolarHBondContact O-CE2 3.1Å; Y529-Q586 PolarHBondContact O-NE2 2.9Å; Y529-Q586 VanDerWaalsContact O-NE2 3.17Å
530	P	81.9	Confident	79.4	Confident	40 Å²	40	53.2 Å²	53.2	26%	0.26	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-66.2	144.4	174.5	27.6	-32.9	0	0	0	110.9	H515 V589	H515-P530 HydrophobicContact CB-CG 4.26Å; H515-P530 PolarHBondContact N-O 3.29Å; H515-P530 VanDerWaalsContact N-O 3.1Å; P530-V589 HydrophobicContact CB-CG1 4.3Å
531	A	84	Confident	80.5	Confident	46 Å²	46	52.3 Å²	52.3	38%	0.38	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-60.1	133.7	179	0	0	0	0	0	112.6	L535 Q586	A531-L535 HydrophobicContact CB-CB 4.43Å; A531-L535 HydrophobicContact CB-CD2 3.69Å; A531-L535 HydrophobicContact CB-CG 4.44Å; A531-Q586 HydrophobicContact CB-CG 4.27Å
532	G	84.1	Confident	81.7	Confident	9 Å²	9	48 Å²	48	9%	0.093	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-75.3	167.8	166.4	0	0	0	0	0	112.7	D513 S534 L535	D513-G532 WeakPolarHBondContact O-CA 3.49Å; D513-G532 PolarHBondContact O-N 3.46Å; G532-S534 VanDerWaalsContact C-N 3.3Å; G532-S534 PolarHBondContact O-N 3.31Å; G532-L535 PolarHBondContact O-N 3.23Å
533	P	84.9	Confident	83	Confident	107 Å²	107	47.2 Å²	47.2	70%	0.695	28%	0.277	S	S	*	.	H	α-helix	trans	-62.9	-36.3	179.6	25.6	-32.8	0	0	0	112.1	L535 S536	P533-L535 VanDerWaalsContact C-N 3.32Å; P533-L535 PolarHBondContact O-N 2.99Å; P533-S536 PolarHBondContact O-N 2.99Å; P533-S536 PolarHBondContact O-OG 2.79Å
534	S	85.1	Confident	84.2	Confident	38 Å²	38	50.6 Å²	50.6	27%	0.266	29%	0.294	S	S	.	.	H	α-helix	trans	-73.1	-26.8	-177.7	77.3	0	0	0	0	112.2	D513 G532 S536 T537 A538	D513-S534 WeakPolarHBondContact CB-OG 3.47Å; D513-S534 VanDerWaalsContact OD2-CB 3.3Å; D513-S534 WeakPolarHBondContact OD2-CB 3.36Å; D513-S534 PolarHBondContact OD2-N 2.98Å; D513-S534 PolarHBondContact OD2-OG 2.72Å; G532-S534 VanDerWaalsContact C-N 3.3Å; G532-S534 PolarHBondContact O-N 3.31Å; S534-S536 VanDerWaalsContact C-N 3.3Å; S534-S536 PolarHBondContact O-N 3.44Å; S534-T537 PolarHBondContact O-N 3.43Å; S534-T537 VanDerWaalsContact O-N 3.16Å; S534-T537 PolarHBondContact O-OG1 3.13Å; S534-A538 PolarHBondContact O-N 3.37Å
535	L	88.4	Confident	85.6	Confident	2 Å²	2	45 Å²	45	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-39.2	173	-174.1	59.6	0	0	0	112	S510 L511 Y514 A531 G532 P533 T537 A538 M539 I582	S510-L535 WeakPolarHBondContact O-CA 3.45Å; L511-L535 HydrophobicContact CD1-CD1 4.11Å; L511-L535 WeakPolarHBondContact O-CD1 3.28Å; Y514-L535 HydrophobicContact CD1-CD2 4.46Å; Y514-L535 HydrophobicContact CE1-CD2 3.98Å; Y514-L535 HydrophobicContact CE2-CD2 4.43Å; A531-L535 HydrophobicContact CB-CB 4.43Å; A531-L535 HydrophobicContact CB-CD2 3.69Å; A531-L535 HydrophobicContact CB-CG 4.44Å; G532-L535 PolarHBondContact O-N 3.23Å; P533-L535 VanDerWaalsContact C-N 3.32Å; P533-L535 PolarHBondContact O-N 2.99Å; L535-T537 VanDerWaalsContact C-N 3.33Å; L535-T537 PolarHBondContact O-N 2.73Å; L535-A538 WeakPolarHBondContact O-CB 3.36Å; L535-A538 PolarHBondContact O-N 2.85Å; L535-M539 VanDerWaalsContact O-CG 3.31Å; L535-M539 WeakPolarHBondContact O-CG 3.15Å; L535-M539 PolarHBondContact O-N 3.31Å; L535-I582 HydrophobicContact CD1-CD1 4.14Å; L535-I582 HydrophobicContact CD2-CG2 4.1Å
536	S	86.6	Confident	86.8	Confident	71 Å²	71	43.5 Å²	43.5	50%	0.497	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-39.9	176.6	74.4	0	0	0	0	112	P533 S534 M539 V540	P533-S536 PolarHBondContact O-N 2.99Å; P533-S536 PolarHBondContact O-OG 2.79Å; S534-S536 VanDerWaalsContact C-N 3.3Å; S534-S536 PolarHBondContact O-N 3.44Å; S536-M539 PolarHBondContact O-N 2.91Å; S536-V540 PolarHBondContact O-N 3.24Å
537	T	89.5	Confident	88.1	Confident	87 Å²	87	46.4 Å²	46.4	53%	0.534	28%	0.28	S	S	.	.	H	α-helix	trans	-68.1	-39	175.3	65.4	0	0	0	0	111.8	S534 L535 M539 V540 L541	S534-T537 PolarHBondContact O-N 3.43Å; S534-T537 VanDerWaalsContact O-N 3.16Å; S534-T537 PolarHBondContact O-OG1 3.13Å; L535-T537 VanDerWaalsContact C-N 3.33Å; L535-T537 PolarHBondContact O-N 2.73Å; T537-M539 VanDerWaalsContact C-N 3.33Å; T537-M539 PolarHBondContact O-N 2.87Å; T537-V540 PolarHBondContact O-N 3.09Å; T537-L541 WeakPolarHBondContact O-CB 3.33Å; T537-L541 PolarHBondContact O-N 3.33Å
538	A	90.4	Very high	89.1	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-40.9	174.6	0	0	0	0	0	111.6	Y487 S534 L535 L541 L542	Y487-A538 WeakPolarHBondContact OH-CB 3.1Å; S534-A538 PolarHBondContact O-N 3.37Å; L535-A538 WeakPolarHBondContact O-CB 3.36Å; L535-A538 PolarHBondContact O-N 2.85Å; A538-L541 PolarHBondContact O-N 2.93Å; A538-L542 WeakPolarHBondContact O-CB 3.37Å; A538-L542 WeakPolarHBondContact O-CG 3.35Å; A538-L542 PolarHBondContact O-N 3.03Å
539	M	91.7	Very high	90	Very high	45 Å²	45	43.9 Å²	43.9	22%	0.222	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-43.2	176.6	-74.8	-70.7	-68.9	0	0	112.6	L535 S536 T537 L542 A543 M579 I582	L535-M539 VanDerWaalsContact O-CG 3.31Å; L535-M539 WeakPolarHBondContact O-CG 3.15Å; L535-M539 PolarHBondContact O-N 3.31Å; S536-M539 PolarHBondContact O-N 2.91Å; T537-M539 VanDerWaalsContact C-N 3.33Å; T537-M539 PolarHBondContact O-N 2.87Å; M539-L542 PolarHBondContact O-N 3.39Å; M539-A543 PolarHBondContact O-N 3.07Å; M539-M579 HydrophobicContact CE-CB 3.76Å; M539-M579 HydrophobicContact CE-CG 3.9Å; M539-M579 HydrophobicContact SD-CB 4.35Å; M539-M579 HydrophobicContact SD-CG 4.06Å; M539-I582 HydrophobicContact CE-CB 4.4Å; M539-I582 HydrophobicContact CE-CG2 4.46Å; M539-I582 HydrophobicContact SD-CB 4.06Å; M539-I582 HydrophobicContact SD-CD1 3.6Å; M539-I582 VanDerWaalsContact SD-CD1 3.6Å; M539-I582 HydrophobicContact SD-CG1 4.43Å; M539-I582 HydrophobicContact SD-CG2 4.1Å
540	V	93.3	Very high	90.7	Very high	91 Å²	91	43.3 Å²	43.3	55%	0.552	27%	0.269	S	S	*	.	H	α-helix	trans	-64.6	-43.1	174.9	175.2	0	0	0	0	110.7	S536 T537 L542 A543 I544	S536-V540 PolarHBondContact O-N 3.24Å; T537-V540 PolarHBondContact O-N 3.09Å; V540-L542 VanDerWaalsContact C-N 3.33Å; V540-L542 PolarHBondContact O-N 2.73Å; V540-A543 WeakPolarHBondContact O-CB 3.4Å; V540-A543 PolarHBondContact O-N 2.97Å; V540-I544 HydrophobicContact CG1-CD1 4.12Å; V540-I544 WeakPolarHBondContact O-CG1 3.11Å; V540-I544 PolarHBondContact O-N 3.21Å
541	L	92.8	Very high	91.3	Very high	54 Å²	54	45.3 Å²	45.3	28%	0.283	28%	0.277	S	S	.	.	H	α-helix	trans	-64.2	-37.8	178.4	-167	67.7	0	0	0	111.5	H485 Y487 T537 A538 I544 A545	H485-L541 VanDerWaalsContact CE1-CG 3.5Å; H485-L541 WeakPolarHBondContact CE1-CG 3.31Å; H485-L541 PolarHBondContact CE1-O 2.86Å; H485-L541 VanDerWaalsContact NE2-CD1 3.33Å; H485-L541 WeakPolarHBondContact NE2-CD1 3.4Å; H485-L541 PolarHBondContact NE2-O 2.91Å; Y487-L541 HydrophobicContact CD2-CB 4.26Å; Y487-L541 HydrophobicContact CD2-CD2 3.77Å; Y487-L541 HydrophobicContact CD2-CG 3.8Å; Y487-L541 HydrophobicContact CE2-CB 3.96Å; Y487-L541 HydrophobicContact CE2-CD2 3.58Å; Y487-L541 HydrophobicContact CE2-CG 3.85Å; T537-L541 WeakPolarHBondContact O-CB 3.33Å; T537-L541 PolarHBondContact O-N 3.33Å; A538-L541 PolarHBondContact O-N 2.93Å; L541-I544 PolarHBondContact O-N 3.39Å; L541-A545 WeakPolarHBondContact O-CB 3.43Å; L541-A545 PolarHBondContact O-N 3.36Å
542	L	94	Very high	91.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-40.4	172.2	-77.6	177.8	0	0	0	112.6	Y487 L499 L511 A538 M539 V540 A545 L546 I575 M579	Y487-L542 HydrophobicContact CD1-CD2 4.4Å; Y487-L542 HydrophobicContact CD2-CD2 3.73Å; Y487-L542 HydrophobicContact CD2-CG 4.15Å; Y487-L542 HydrophobicContact CE2-CD2 3.86Å; Y487-L542 HydrophobicContact CE2-CG 3.87Å; Y487-L542 HydrophobicContact CG-CD2 4.03Å; L499-L542 HydrophobicContact CD2-CD1 4.29Å; L499-L542 HydrophobicContact CD2-CD2 4.03Å; L511-L542 HydrophobicContact CD1-CD1 3.71Å; A538-L542 WeakPolarHBondContact O-CB 3.37Å; A538-L542 WeakPolarHBondContact O-CG 3.35Å; A538-L542 PolarHBondContact O-N 3.03Å; M539-L542 PolarHBondContact O-N 3.39Å; V540-L542 VanDerWaalsContact C-N 3.33Å; V540-L542 PolarHBondContact O-N 2.73Å; L542-A545 WeakPolarHBondContact O-CB 3.47Å; L542-A545 PolarHBondContact O-N 2.79Å; L542-L546 PolarHBondContact O-N 3.49Å; L542-I575 HydrophobicContact CB-CG2 4.04Å; L542-I575 HydrophobicContact CD2-CG1 4.34Å; L542-I575 HydrophobicContact CD2-CG2 4.27Å; L542-I575 WeakPolarHBondContact O-CG2 3.42Å; L542-M579 HydrophobicContact CB-CG 4.32Å; L542-M579 HydrophobicContact CB-SD 4.24Å
543	A	95.2	Very high	92.3	Very high	42 Å²	42	43.6 Å²	43.6	35%	0.347	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-41.9	176.2	0	0	0	0	0	111.8	M539 V540 L546 V547 M579	M539-A543 PolarHBondContact O-N 3.07Å; V540-A543 WeakPolarHBondContact O-CB 3.4Å; V540-A543 PolarHBondContact O-N 2.97Å; A543-L546 PolarHBondContact O-N 3.48Å; A543-V547 PolarHBondContact O-N 3.41Å; A543-M579 HydrophobicContact CB-SD 4.12Å
544	I	95.1	Very high	92.7	Very high	81 Å²	81	39 Å²	39	42%	0.415	23%	0.229	S	C	.	.	H	α-helix	trans	-63.1	-44.4	173.2	-66.3	168.5	0	0	0	110.3	V540 L541 L546 V547 L548	V540-I544 HydrophobicContact CG1-CD1 4.12Å; V540-I544 WeakPolarHBondContact O-CG1 3.11Å; V540-I544 PolarHBondContact O-N 3.21Å; L541-I544 PolarHBondContact O-N 3.39Å; I544-L546 VanDerWaalsContact C-N 3.29Å; I544-L546 PolarHBondContact O-N 3.15Å; I544-V547 PolarHBondContact O-N 3.39Å; I544-L548 HydrophobicContact CG2-CD1 3.73Å; I544-L548 HydrophobicContact CG2-CG 4.25Å; I544-L548 WeakPolarHBondContact O-CB 3.31Å; I544-L548 WeakPolarHBondContact O-CG 3.3Å; I544-L548 PolarHBondContact O-N 3.28Å
545	A	94.1	Very high	93.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.8	-40.7	176.6	0	0	0	0	0	112.2	L541 L542 K549 I575	L541-A545 WeakPolarHBondContact O-CB 3.43Å; L541-A545 PolarHBondContact O-N 3.36Å; L542-A545 WeakPolarHBondContact O-CB 3.47Å; L542-A545 PolarHBondContact O-N 2.79Å; A545-K549 WeakPolarHBondContact O-CB 3.46Å; A545-K549 WeakPolarHBondContact O-CG 3.46Å; A545-K549 PolarHBondContact O-N 3.41Å; A545-I575 HydrophobicContact CB-CD1 4.42Å
546	L	95.5	Very high	93.3	Very high	25 Å²	25	41.5 Å²	41.5	13%	0.131	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-47.9	178.8	-179	63.2	0	0	0	111.5	F443 L542 A543 I544 L550 A572 I575 M576 M579	F443-L546 HydrophobicContact CE2-CD1 4.06Å; L542-L546 PolarHBondContact O-N 3.49Å; A543-L546 PolarHBondContact O-N 3.48Å; I544-L546 VanDerWaalsContact C-N 3.29Å; I544-L546 PolarHBondContact O-N 3.15Å; L546-L550 WeakPolarHBondContact O-CB 3.46Å; L546-L550 PolarHBondContact O-N 3.47Å; L546-A572 HydrophobicContact CD1-CB 3.89Å; L546-A572 WeakPolarHBondContact CD1-O 3.45Å; L546-I575 HydrophobicContact CB-CG2 4.03Å; L546-I575 HydrophobicContact CD1-CB 4.49Å; L546-M576 HydrophobicContact CD2-CE 4.48Å; L546-M579 HydrophobicContact CD2-CE 4.49Å
547	V	95.6	Very high	93.4	Very high	86 Å²	86	38.9 Å²	38.9	52%	0.521	22%	0.215	S	C	.	.	H	α-helix	trans	-65.1	-47.4	179.2	176.2	0	0	0	0	110.8	A543 I544 L550 I551	A543-V547 PolarHBondContact O-N 3.41Å; I544-V547 PolarHBondContact O-N 3.39Å; V547-L550 PolarHBondContact O-N 2.94Å; V547-I551 HydrophobicContact CG1-CD1 4.09Å; V547-I551 WeakPolarHBondContact O-CG1 3.4Å; V547-I551 PolarHBondContact O-N 3.09Å; V547-I551 VanDerWaalsContact O-N 3.09Å
548	L	94.3	Very high	93.3	Very high	43 Å²	43	36.1 Å²	36.1	23%	0.225	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-42.2	178.9	-71.2	177.7	0	0	0	111.7	L488 I544 L550 I551 L552	L488-L548 HydrophobicContact CD1-CB 3.88Å; L488-L548 HydrophobicContact CD1-CD1 3.56Å; L488-L548 HydrophobicContact CD1-CG 4.38Å; I544-L548 HydrophobicContact CG2-CD1 3.73Å; I544-L548 HydrophobicContact CG2-CG 4.25Å; I544-L548 WeakPolarHBondContact O-CB 3.31Å; I544-L548 WeakPolarHBondContact O-CG 3.3Å; I544-L548 PolarHBondContact O-N 3.28Å; L548-L550 VanDerWaalsContact C-N 3.35Å; L548-L550 PolarHBondContact O-N 3.49Å; L548-I551 PolarHBondContact O-N 3.36Å; L548-L552 VanDerWaalsContact O-CB 3.31Å; L548-L552 WeakPolarHBondContact O-CB 3.39Å; L548-L552 WeakPolarHBondContact O-CG 2.92Å; L548-L552 PolarHBondContact O-N 3.08Å
549	K	93.7	Very high	93.4	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-43.9	174.8	-81.2	-166.3	178.6	-82.9	0	111	N318 L488 L495 A545 I551 L552 T553 I575	N318-K549 PolarHBondContact ND2-O 3.31Å; L488-K549 HydrophobicContact CD2-CD 4.44Å; L488-K549 HydrophobicContact CD2-CG 3.52Å; L495-K549 HydrophobicContact CD2-CD 4.48Å; A545-K549 WeakPolarHBondContact O-CB 3.46Å; A545-K549 WeakPolarHBondContact O-CG 3.46Å; A545-K549 PolarHBondContact O-N 3.41Å; K549-I551 VanDerWaalsContact C-N 3.35Å; K549-I551 PolarHBondContact O-N 3.48Å; K549-L552 PolarHBondContact O-N 3.16Å; K549-T553 WeakPolarHBondContact O-CB 3.33Å; K549-T553 VanDerWaalsContact O-CG2 3.28Å; K549-T553 WeakPolarHBondContact O-CG2 3.43Å; K549-T553 PolarHBondContact O-N 2.86Å; K549-T553 PolarHBondContact O-OG1 3.3Å; K549-I575 HydrophobicContact CD-CD1 4.14Å
550	L	94.5	Very high	93.4	Very high	35 Å²	35	38.4 Å²	38.4	18%	0.183	21%	0.212	C	C	.	.	H	α-helix	trans	-56.7	-47.7	176.5	173.9	64.6	0	0	0	111.7	F443 V446 F447 L546 V547 L548 T553 V554	F443-L550 HydrophobicContact CE1-CD1 4.19Å; F443-L550 HydrophobicContact CE2-CB 4.01Å; F443-L550 HydrophobicContact CE2-CD1 3.79Å; F443-L550 HydrophobicContact CE2-CD2 4.16Å; F443-L550 HydrophobicContact CE2-CG 4.19Å; F443-L550 HydrophobicContact CZ-CB 4.14Å; F443-L550 HydrophobicContact CZ-CD1 3.59Å; F443-L550 HydrophobicContact CZ-CG 4.35Å; V446-L550 HydrophobicContact CG1-CD2 4.47Å; F447-L550 HydrophobicContact CB-CD1 3.99Å; F447-L550 HydrophobicContact CD2-CD1 3.92Å; F447-L550 HydrophobicContact CG-CD1 4.46Å; L546-L550 WeakPolarHBondContact O-CB 3.46Å; L546-L550 PolarHBondContact O-N 3.47Å; V547-L550 PolarHBondContact O-N 2.94Å; L548-L550 VanDerWaalsContact C-N 3.35Å; L548-L550 PolarHBondContact O-N 3.49Å; L550-T553 PolarHBondContact O-OG1 3.29Å; L550-V554 HydrophobicContact CD1-CG2 4.32Å; L550-V554 WeakPolarHBondContact O-CB 3.47Å; L550-V554 WeakPolarHBondContact O-CG2 3.44Å; L550-V554 PolarHBondContact O-N 2.97Å; L550-V554 VanDerWaalsContact O-N 3.11Å
551	I	94.9	Very high	93.4	Very high	83 Å²	83	34.1 Å²	34.1	43%	0.426	19%	0.186	S	C	.	.	H	α-helix	trans	-64.7	-49.3	179.5	-64.6	168.1	0	0	0	110	V547 L548 K549 T553 V554 F555	V547-I551 HydrophobicContact CG1-CD1 4.09Å; V547-I551 WeakPolarHBondContact O-CG1 3.4Å; V547-I551 PolarHBondContact O-N 3.09Å; V547-I551 VanDerWaalsContact O-N 3.09Å; L548-I551 PolarHBondContact O-N 3.36Å; K549-I551 VanDerWaalsContact C-N 3.35Å; K549-I551 PolarHBondContact O-N 3.48Å; I551-T553 PolarHBondContact O-N 3.05Å; I551-V554 PolarHBondContact O-N 2.89Å; I551-F555 HydrophobicContact CG2-CD2 3.94Å; I551-F555 HydrophobicContact CG2-CE2 3.88Å; I551-F555 VanDerWaalsContact O-CD2 3.28Å; I551-F555 WeakPolarHBondContact O-CD2 3.38Å; I551-F555 PolarHBondContact O-N 2.9Å
552	L	94.2	Very high	93.5	Very high	11 Å²	11	31.5 Å²	31.5	6%	0.058	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-41.2	-178.8	-69.6	171.3	0	0	0	112.2	N318 T478 L481 L488 L548 K549 F555 T556	N318-L552 HydrophobicContact CB-CB 4.41Å; T478-L552 HydrophobicContact CG2-CD1 4.37Å; T478-L552 HydrophobicContact CG2-CD2 4.42Å; L481-L552 HydrophobicContact CD1-CD2 4.39Å; L488-L552 HydrophobicContact CD2-CD1 4.4Å; L548-L552 VanDerWaalsContact O-CB 3.31Å; L548-L552 WeakPolarHBondContact O-CB 3.39Å; L548-L552 WeakPolarHBondContact O-CG 2.92Å; L548-L552 PolarHBondContact O-N 3.08Å; K549-L552 PolarHBondContact O-N 3.16Å; L552-F555 PolarHBondContact O-N 3.08Å; L552-T556 WeakPolarHBondContact O-CB 3.35Å; L552-T556 PolarHBondContact O-N 3.47Å; L552-T556 PolarHBondContact O-OG1 3.2Å
553	T	94.1	Very high	93.5	Very high	8 Å²	8	31.6 Å²	31.6	5%	0.049	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-39.6	176.7	53.1	0	0	0	0	111.8	N318 F447 K549 L550 I551 F555 T556 F557 P568	N318-T553 HydrophobicContact CB-CG2 4.21Å; N318-T553 WeakPolarHBondContact ND2-CG2 2.79Å; F447-T553 WeakPolarHBondContact CE2-OG1 3.33Å; K549-T553 WeakPolarHBondContact O-CB 3.33Å; K549-T553 VanDerWaalsContact O-CG2 3.28Å; K549-T553 WeakPolarHBondContact O-CG2 3.43Å; K549-T553 PolarHBondContact O-N 2.86Å; K549-T553 PolarHBondContact O-OG1 3.3Å; L550-T553 PolarHBondContact O-OG1 3.29Å; I551-T553 PolarHBondContact O-N 3.05Å; T553-F555 VanDerWaalsContact C-N 3.33Å; T553-F555 PolarHBondContact O-N 3.42Å; T553-T556 PolarHBondContact O-N 3.5Å; T553-F557 WeakPolarHBondContact O-CB 3.28Å; T553-F557 PolarHBondContact O-N 2.9Å; T553-P568 HydrophobicContact CG2-CB 3.41Å; T553-P568 VanDerWaalsContact CG2-CB 3.41Å; T553-P568 HydrophobicContact CG2-CG 4.37Å
554	V	94.7	Very high	93.3	Very high	10 Å²	10	29.7 Å²	29.7	6%	0.061	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-44.2	178.1	165.5	0	0	0	0	111	F447 A450 N451 I454 L550 I551	F447-V554 HydrophobicContact CD2-CG2 3.54Å; F447-V554 HydrophobicContact CE2-CG2 3.7Å; A450-V554 HydrophobicContact CB-CG1 3.98Å; A450-V554 HydrophobicContact CB-CG2 3.97Å; N451-V554 PolarHBondContact ND2-O 3.16Å; N451-V554 VanDerWaalsContact ND2-O 3.12Å; I454-V554 HydrophobicContact CG1-CG1 3.91Å; L550-V554 HydrophobicContact CD1-CG2 4.32Å; L550-V554 WeakPolarHBondContact O-CB 3.47Å; L550-V554 WeakPolarHBondContact O-CG2 3.44Å; L550-V554 PolarHBondContact O-N 2.97Å; L550-V554 VanDerWaalsContact O-N 3.11Å; I551-V554 PolarHBondContact O-N 2.89Å
555	F	92.8	Very high	93.2	Very high	92 Å²	92	26 Å²	26	40%	0.404	14%	0.139	S	C	.	.	H	α-helix	trans	-74.5	-39.6	176.5	-76.3	-74	0	0	0	112.5	I454 R458 I551 L552 T553 F557 I559	I454-F555 HydrophobicContact CD1-CE1 3.78Å; I454-F555 HydrophobicContact CD1-CZ 4.13Å; I454-F555 HydrophobicContact CG1-CE1 4.41Å; I454-F555 HydrophobicContact CG2-CD1 4.34Å; R458-F555 PolarHBondContact NH2-O 3.29Å; I551-F555 HydrophobicContact CG2-CD2 3.94Å; I551-F555 HydrophobicContact CG2-CE2 3.88Å; I551-F555 VanDerWaalsContact O-CD2 3.28Å; I551-F555 WeakPolarHBondContact O-CD2 3.38Å; I551-F555 PolarHBondContact O-N 2.9Å; L552-F555 PolarHBondContact O-N 3.08Å; T553-F555 VanDerWaalsContact C-N 3.33Å; T553-F555 PolarHBondContact O-N 3.42Å; F555-F557 VanDerWaalsContact C-N 3.34Å; F555-F557 PolarHBondContact O-N 3.1Å; F555-I559 WeakPolarHBondContact O-CG2 3.37Å
556	T	93.3	Very high	93.2	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-66.9	-38.1	-179.6	-55.9	0	0	0	0	110.9	L317 L319 L552 T553 G558 I559	L317-T556 HydrophobicContact CB-CG2 4.12Å; L317-T556 HydrophobicContact CD2-CG2 4.36Å; L319-T556 HydrophobicContact CB-CG2 4.31Å; L552-T556 WeakPolarHBondContact O-CB 3.35Å; L552-T556 PolarHBondContact O-N 3.47Å; L552-T556 PolarHBondContact O-OG1 3.2Å; T553-T556 PolarHBondContact O-N 3.5Å; T556-G558 PolarHBondContact O-N 3.49Å; T556-G558 VanDerWaalsContact O-N 3.13Å; T556-I559 HydrophobicContact CG2-CD1 3.99Å; T556-I559 VanDerWaalsContact O-CG1 3.29Å; T556-I559 WeakPolarHBondContact O-CG1 3.31Å; T556-I559 PolarHBondContact O-N 3.4Å
557	F	88.7	Confident	93	Very high	16 Å²	16	25.2 Å²	25.2	7%	0.07	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	110.1	179.5	-169.5	-121.9	0	0	0	110.2	F447 N451 R458 T553 F555 L565 I668 H672	F447-F557 HydrophobicContact CE1-CD1 4.5Å; F447-F557 HydrophobicContact CZ-CB 4.41Å; F447-F557 HydrophobicContact CZ-CD1 4.15Å; N451-F557 HydrophobicContact CB-CD1 4.48Å; N451-F557 VanDerWaalsContact ND2-CD1 3.27Å; N451-F557 WeakPolarHBondContact ND2-CD1 3.36Å; N451-F557 PolarHBondContact ND2-O 2.83Å; N451-F557 VanDerWaalsContact OD1-CD1 3.27Å; N451-F557 WeakPolarHBondContact OD1-CD1 3.43Å; R458-F557 PolarHBondContact NH1-O 3.33Å; T553-F557 WeakPolarHBondContact O-CB 3.28Å; T553-F557 PolarHBondContact O-N 2.9Å; F555-F557 VanDerWaalsContact C-N 3.34Å; F555-F557 PolarHBondContact O-N 3.1Å; F557-L565 HydrophobicContact CD1-CD2 4.34Å; F557-L565 HydrophobicContact CD2-CB 4.31Å; F557-L565 HydrophobicContact CE1-CD2 4.05Å; F557-L565 HydrophobicContact CE2-CB 4.06Å; F557-L565 HydrophobicContact CE2-CD2 4.36Å; F557-L565 HydrophobicContact CG-CD1 4.49Å; F557-L565 HydrophobicContact CZ-CD2 4.06Å; F557-I668 HydrophobicContact CE1-CD1 3.97Å; F557-I668 HydrophobicContact CE1-CG1 3.63Å; F557-I668 HydrophobicContact CZ-CG1 4.27Å; F557-H672 AromaticContact CE1-CD2 3.77Å; F557-H672 AromaticContact CE1-NE2 3.31Å; F557-H672 VanDerWaalsContact CE1-NE2 3.31Å; F557-H672 WeakPolarHBondContact CE1-NE2 3.05Å
558	G	86.9	Confident	93	Very high	29 Å²	29	21.3 Å²	21.3	30%	0.299	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.7	1.5	-179	0	0	0	0	0	115.7	R458 T556	R458-G558 VanDerWaalsContact NH1-CA 3.26Å; R458-G558 PolarHBondContact NH1-O 3.16Å; T556-G558 PolarHBondContact O-N 3.49Å; T556-G558 VanDerWaalsContact O-N 3.13Å
559	I	91.7	Very high	93	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-68.3	160.1	164.1	71	-172.6	0	0	0	110.2	L317 V471 F555 T556 V561 T563	L317-I559 HydrophobicContact CD1-CD1 4.02Å; V471-I559 HydrophobicContact CG2-CB 3.96Å; V471-I559 HydrophobicContact CG2-CD1 4.34Å; V471-I559 HydrophobicContact CG2-CG1 4.3Å; F555-I559 WeakPolarHBondContact O-CG2 3.37Å; T556-I559 HydrophobicContact CG2-CD1 3.99Å; T556-I559 VanDerWaalsContact O-CG1 3.29Å; T556-I559 WeakPolarHBondContact O-CG1 3.31Å; T556-I559 PolarHBondContact O-N 3.4Å; I559-V561 HydrophobicContact CD1-CB 4.16Å; I559-V561 HydrophobicContact CD1-CG2 4.1Å; I559-V561 HydrophobicContact CG1-CB 3.95Å; I559-V561 HydrophobicContact CG1-CG2 4.09Å; I559-V561 PolarHBondContact O-N 3.06Å; I559-T563 HydrophobicContact CG1-CG2 4.32Å
560	K	91.7	Very high	93	Very high	93 Å²	93	19.3 Å²	19.3	40%	0.404	10%	0.101	S	C	.	.	S	Bend	trans	-79.7	54.9	-177.8	-60.1	-157.5	-173.5	-176.7	0	113.8	P467	P467-K560 HydrophobicContact CB-CB 4.08Å; P467-K560 HydrophobicContact CB-CD 3.49Å; P467-K560 VanDerWaalsContact CB-CD 3.49Å; P467-K560 HydrophobicContact CB-CG 3.67Å; P467-K560 HydrophobicContact CG-CD 3.81Å
561	V	93.8	Very high	93.1	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	9%	0.092	C	C	.	.	S	Bend	trans	-133.1	155.5	178.9	174.7	0	0	0	0	108	V266 G278 L319 V471 I559 T563	V266-V561 HydrophobicContact CB-CG2 4.44Å; G278-V561 PolarHBondContact N-O 2.89Å; L319-V561 HydrophobicContact CD2-CG1 4.3Å; V471-V561 HydrophobicContact CB-CG2 4.5Å; V471-V561 HydrophobicContact CG1-CG2 3.84Å; V471-V561 HydrophobicContact CG2-CG2 3.76Å; I559-V561 HydrophobicContact CD1-CB 4.16Å; I559-V561 HydrophobicContact CD1-CG2 4.1Å; I559-V561 HydrophobicContact CG1-CB 3.95Å; I559-V561 HydrophobicContact CG1-CG2 4.09Å; I559-V561 PolarHBondContact O-N 3.06Å; V561-T563 HydrophobicContact CB-CG2 4.36Å; V561-T563 PolarHBondContact O-N 2.99Å
562	P	95.1	Very high	93.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.			trans	-65.5	119.5	170.8	-19	34.6	0	0	0	109.6	V269 K305 M309	V269-P562 HydrophobicContact CG2-CG 4.15Å; K305-P562 HydrophobicContact CG-CB 3.98Å; K305-P562 HydrophobicContact CG-CG 4.19Å; M309-P562 HydrophobicContact SD-CB 4.19Å
563	T	92.8	Very high	93.2	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.012	7%	0.07	C	C	.	.			trans	-139.3	127.3	-174.1	61.7	0	0	0	0	111.1	G278 S279 L319 I559 V561	G278-T563 CarbonylContact C-O 3.52Å; G278-T563 PolarHBondContact O-N 3.5Å; S279-T563 WeakPolarHBondContact CA-O 3.47Å; S279-T563 VanDerWaalsContact CB-O 3.3Å; S279-T563 WeakPolarHBondContact CB-O 3.44Å; S279-T563 PolarHBondContact N-O 3.08Å; L319-T563 HydrophobicContact CB-CG2 4.17Å; L319-T563 HydrophobicContact CD2-CG2 3.88Å; I559-T563 HydrophobicContact CG1-CG2 4.32Å; V561-T563 HydrophobicContact CB-CG2 4.36Å; V561-T563 PolarHBondContact O-N 2.99Å
564	G	92.8	Very high	93.3	Very high	2 Å²	2	12.9 Å²	12.9	2%	0.021	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-102.6	152.3	166.5	0	0	0	0	0	112.1	G320	G320-G564 PolarHBondContact N-O 3.48Å; G320-G564 WeakPolarHBondContact O-CA 3.45Å; G320-G564 PolarHBondContact O-N 3.45Å
565	L	93.1	Very high	93.3	Very high	3 Å²	3	12.4 Å²	12.4	2%	0.016	7%	0.065	C	C	.	.	S	Bend	trans	-106	-17.4	-175.2	-179.2	59.5	0	0	0	113.7	F447 F557 P568 S569 V625 I668	F447-L565 HydrophobicContact CE1-CD1 3.66Å; F447-L565 HydrophobicContact CE1-CD2 3.66Å; F447-L565 HydrophobicContact CE1-CG 4.26Å; F447-L565 HydrophobicContact CE2-CD1 4.18Å; F447-L565 HydrophobicContact CZ-CD1 3.34Å; F447-L565 HydrophobicContact CZ-CD2 4.12Å; F447-L565 HydrophobicContact CZ-CG 4.37Å; F557-L565 HydrophobicContact CD1-CD2 4.34Å; F557-L565 HydrophobicContact CD2-CB 4.31Å; F557-L565 HydrophobicContact CE1-CD2 4.05Å; F557-L565 HydrophobicContact CE2-CB 4.06Å; F557-L565 HydrophobicContact CE2-CD2 4.36Å; F557-L565 HydrophobicContact CG-CD1 4.49Å; F557-L565 HydrophobicContact CZ-CD2 4.06Å; L565-P568 WeakPolarHBondContact O-CD 3.43Å; L565-S569 WeakPolarHBondContact O-CB 2.93Å; L565-S569 PolarHBondContact O-N 2.96Å; L565-S569 PolarHBondContact O-OG 3.07Å; L565-V625 HydrophobicContact CD2-CG1 3.65Å; L565-V625 HydrophobicContact CG-CG1 4.2Å; L565-I668 HydrophobicContact CD2-CB 4.35Å; L565-I668 HydrophobicContact CD2-CG1 3.88Å; L565-I668 HydrophobicContact CD2-CG2 3.8Å
566	F	92.9	Very high	93.5	Very high	5 Å²	5	9 Å²	9	2%	0.022	5%	0.051	C	C	.	.	H	α-helix	trans	-56.2	-60.2	-176	-71	-73.2	0	0	0	113.1	I281 E322 F366 F375 S569 L570 L622 T626 M628 Y669	I281-F566 HydrophobicContact CD1-CE2 3.51Å; I281-F566 HydrophobicContact CD1-CZ 3.99Å; E322-F566 HydrophobicContact CB-CB 4.23Å; E322-F566 HydrophobicContact CB-CD2 4.07Å; E322-F566 HydrophobicContact CG-CB 4.44Å; F366-F566 HydrophobicContact CE1-CB 4.43Å; F366-F566 HydrophobicContact CZ-CB 3.84Å; F366-F566 HydrophobicContact CZ-CD1 4.07Å; F366-F566 HydrophobicContact CZ-CD2 4.28Å; F366-F566 AromaticContact CZ-CG 3.83Å; F366-F566 HydrophobicContact CZ-CG 3.83Å; F375-F566 HydrophobicContact CE2-CE1 4.22Å; F375-F566 AromaticContact CE2-CZ 3.67Å; F375-F566 HydrophobicContact CE2-CZ 3.67Å; F375-F566 AromaticContact CZ-CZ 3.97Å; F375-F566 HydrophobicContact CZ-CZ 3.97Å; F566-S569 WeakPolarHBondContact O-CB 2.98Å; F566-S569 PolarHBondContact O-N 3.24Å; F566-S569 VanDerWaalsContact O-N 3.13Å; F566-L570 WeakPolarHBondContact O-CG 3.45Å; F566-L570 PolarHBondContact O-N 3.5Å; F566-L622 HydrophobicContact CD1-CD1 3.57Å; F566-L622 HydrophobicContact CD1-CD2 3.8Å; F566-L622 HydrophobicContact CD1-CG 4.26Å; F566-L622 HydrophobicContact CE1-CD1 4.2Å; F566-L622 HydrophobicContact CE1-CD2 4.5Å; F566-L622 HydrophobicContact CG-CD1 4.48Å; F566-T626 HydrophobicContact CE1-CG2 4.12Å; F566-M628 HydrophobicContact CE1-CE 4.48Å; F566-M628 HydrophobicContact CE1-SD 4.02Å; F566-M628 HydrophobicContact CZ-CE 4.39Å; F566-M628 HydrophobicContact CZ-SD 4.47Å; F566-Y669 WeakPolarHBondContact CE2-OH 3.18Å; F566-Y669 HydrophobicContact CZ-CE2 4.25Å; F566-Y669 WeakPolarHBondContact CZ-OH 3.45Å
567	I	92.5	Very high	93.7	Very high	3 Å²	3	9 Å²	9	2%	0.015	5%	0.05	C	C	.	.	H	α-helix	trans	-61.8	-45.7	-174.6	-67	-73.2	0	0	0	112.9	E322 F417 T492 I496 S569 L570 A571	E322-I567 HydrophobicContact CG-CD1 4Å; E322-I567 HydrophobicContact CG-CG1 3.49Å; E322-I567 VanDerWaalsContact CG-CG1 3.49Å; F417-I567 HydrophobicContact CE1-CD1 4.03Å; F417-I567 HydrophobicContact CZ-CD1 4.3Å; T492-I567 HydrophobicContact CG2-CG2 3.47Å; T492-I567 VanDerWaalsContact CG2-CG2 3.47Å; I496-I567 HydrophobicContact CD1-CD1 4.37Å; I496-I567 HydrophobicContact CD1-CG2 4.12Å; I567-S569 PolarHBondContact O-N 3.12Å; I567-L570 HydrophobicContact CD1-CD1 4.28Å; I567-L570 PolarHBondContact O-N 3.04Å; I567-A571 WeakPolarHBondContact O-CB 3.16Å; I567-A571 PolarHBondContact O-N 3.26Å
568	P	94.1	Very high	93.9	Very high	5 Å²	5	8.2 Å²	8.2	3%	0.032	5%	0.047	C	C	.	.	H	α-helix	trans	-60.9	-33.4	175.3	-23.9	33	0	0	0	113.9	T553 L565 A572	T553-P568 HydrophobicContact CG2-CB 3.41Å; T553-P568 VanDerWaalsContact CG2-CB 3.41Å; T553-P568 HydrophobicContact CG2-CG 4.37Å; L565-P568 WeakPolarHBondContact O-CD 3.43Å; P568-A572 PolarHBondContact O-N 3.03Å; P568-A572 VanDerWaalsContact O-N 3.07Å
569	S	95	Very high	94.3	Very high	3 Å²	3	8.8 Å²	8.8	2%	0.021	4%	0.043	C	C	.	.	H	α-helix	trans	-73.1	-40	177.6	-51.1	0	0	0	0	111.5	L565 F566 I567 A572 G573 T621	L565-S569 WeakPolarHBondContact O-CB 2.93Å; L565-S569 PolarHBondContact O-N 2.96Å; L565-S569 PolarHBondContact O-OG 3.07Å; F566-S569 WeakPolarHBondContact O-CB 2.98Å; F566-S569 PolarHBondContact O-N 3.24Å; F566-S569 VanDerWaalsContact O-N 3.13Å; I567-S569 PolarHBondContact O-N 3.12Å; S569-A572 PolarHBondContact O-N 3.28Å; S569-G573 PolarHBondContact O-N 2.88Å; S569-T621 WeakPolarHBondContact O-CG2 3.29Å
570	L	94.6	Very high	94.5	Very high	3 Å²	3	10.5 Å²	10.5	2%	0.016	5%	0.051	C	C	.	.	H	α-helix	trans	-60.9	-45	172.2	-72.5	175.4	0	0	0	111.7	F366 I496 F566 I567 G573 A574 A618 L622 M636	F366-L570 HydrophobicContact CE1-CD1 4.14Å; I496-L570 HydrophobicContact CD1-CB 3.93Å; F566-L570 WeakPolarHBondContact O-CG 3.45Å; F566-L570 PolarHBondContact O-N 3.5Å; I567-L570 HydrophobicContact CD1-CD1 4.28Å; I567-L570 PolarHBondContact O-N 3.04Å; L570-G573 PolarHBondContact O-N 2.95Å; L570-A574 VanDerWaalsContact O-CB 3.32Å; L570-A574 WeakPolarHBondContact O-CB 3.49Å; L570-A574 PolarHBondContact O-N 3.29Å; L570-A618 HydrophobicContact CB-CB 4.46Å; L570-A618 HydrophobicContact CD2-CB 3.91Å; L570-A618 WeakPolarHBondContact O-CB 3.29Å; L570-L622 HydrophobicContact CD1-CD2 4.26Å; L570-L622 HydrophobicContact CD2-CB 3.8Å; L570-L622 HydrophobicContact CD2-CD2 3.61Å; L570-L622 HydrophobicContact CD2-CG 4.32Å; L570-L622 HydrophobicContact CG-CB 4.37Å; L570-L622 HydrophobicContact CG-CD2 3.87Å; L570-M636 HydrophobicContact CD1-CE 4.29Å; L570-M636 HydrophobicContact CD2-CE 3.16Å; L570-M636 HydrophobicContact CG-CE 4.36Å
571	A	94.8	Very high	94.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-64	-43.5	178.3	0	0	0	0	0	112.3	T492 I496 I567 G573 A574 I575	T492-A571 HydrophobicContact CG2-CB 3.37Å; I496-A571 HydrophobicContact CD1-CB 4.1Å; I496-A571 HydrophobicContact CG1-CB 3.89Å; I567-A571 WeakPolarHBondContact O-CB 3.16Å; I567-A571 PolarHBondContact O-N 3.26Å; A571-G573 VanDerWaalsContact C-N 3.3Å; A571-G573 PolarHBondContact O-N 3.13Å; A571-A574 PolarHBondContact O-N 3.45Å; A571-I575 VanDerWaalsContact O-CG1 3.27Å; A571-I575 WeakPolarHBondContact O-CG1 3.37Å; A571-I575 PolarHBondContact O-N 3.22Å
572	A	95.9	Very high	94.5	Very high	3 Å²	3	6.3 Å²	6.3	3%	0.025	3%	0.033	C	C	.	.	H	α-helix	trans	-59.1	-43.6	175.2	0	0	0	0	0	111.6	F443 L546 P568 S569 I575 M576 T621	F443-A572 HydrophobicContact CE1-CB 3.93Å; F443-A572 HydrophobicContact CE2-CB 4.16Å; F443-A572 HydrophobicContact CZ-CB 3.51Å; L546-A572 HydrophobicContact CD1-CB 3.89Å; L546-A572 WeakPolarHBondContact CD1-O 3.45Å; P568-A572 PolarHBondContact O-N 3.03Å; P568-A572 VanDerWaalsContact O-N 3.07Å; S569-A572 PolarHBondContact O-N 3.28Å; A572-I575 PolarHBondContact O-N 2.64Å; A572-M576 PolarHBondContact O-N 3.13Å; A572-M576 VanDerWaalsContact O-N 3.09Å; A572-T621 HydrophobicContact CB-CG2 4.43Å
573	G	96.4	Very high	94.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-68.4	-36.4	175.6	0	0	0	0	0	114.1	S569 L570 A571 I575 M576 G577 G617 A618 T621	S569-G573 PolarHBondContact O-N 2.88Å; L570-G573 PolarHBondContact O-N 2.95Å; A571-G573 VanDerWaalsContact C-N 3.3Å; A571-G573 PolarHBondContact O-N 3.13Å; G573-I575 VanDerWaalsContact C-N 3.34Å; G573-M576 PolarHBondContact O-N 2.66Å; G573-G577 PolarHBondContact O-N 2.94Å; G573-G617 CarbonylContact C-O 3.19Å; G573-G617 WeakPolarHBondContact CA-O 3.35Å; G573-G617 CarbonylContact O-C 3.51Å; G573-G617 WeakPolarHBondContact O-CA 3.48Å; G573-A618 VanDerWaalsContact C-N 3.34Å; G573-A618 PolarHBondContact O-N 2.61Å; G573-T621 WeakPolarHBondContact CA-OG1 3.49Å
574	A	95.7	Very high	94.3	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.4	-39.9	175.3	0	0	0	0	0	111.5	L499 L570 A571 R578 A614 A618	L499-A574 HydrophobicContact CB-CB 4.18Å; L499-A574 HydrophobicContact CD1-CB 3.77Å; L570-A574 VanDerWaalsContact O-CB 3.32Å; L570-A574 WeakPolarHBondContact O-CB 3.49Å; L570-A574 PolarHBondContact O-N 3.29Å; A571-A574 PolarHBondContact O-N 3.45Å; A574-R578 VanDerWaalsContact O-CB 3.24Å; A574-R578 WeakPolarHBondContact O-CB 3.34Å; A574-R578 PolarHBondContact O-N 3.27Å; A574-A614 WeakPolarHBondContact CA-O 3.38Å; A574-A614 HydrophobicContact CB-CB 4.49Å; A574-A618 HydrophobicContact CB-CB 4.19Å
575	I	96	Very high	94.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.1	-51.4	174.4	-66.6	165.5	0	0	0	109.8	L495 L499 L542 A545 L546 K549 A571 A572 G573 G577 R578 M579	L495-I575 HydrophobicContact CD2-CD1 4.29Å; L499-I575 HydrophobicContact CD1-CB 4.47Å; L499-I575 HydrophobicContact CD1-CG1 3.59Å; L499-I575 HydrophobicContact CD2-CG1 4.48Å; L542-I575 HydrophobicContact CB-CG2 4.04Å; L542-I575 HydrophobicContact CD2-CG1 4.34Å; L542-I575 HydrophobicContact CD2-CG2 4.27Å; L542-I575 WeakPolarHBondContact O-CG2 3.42Å; A545-I575 HydrophobicContact CB-CD1 4.42Å; L546-I575 HydrophobicContact CB-CG2 4.03Å; L546-I575 HydrophobicContact CD1-CB 4.49Å; K549-I575 HydrophobicContact CD-CD1 4.14Å; A571-I575 VanDerWaalsContact O-CG1 3.27Å; A571-I575 WeakPolarHBondContact O-CG1 3.37Å; A571-I575 PolarHBondContact O-N 3.22Å; A572-I575 PolarHBondContact O-N 2.64Å; G573-I575 VanDerWaalsContact C-N 3.34Å; I575-G577 VanDerWaalsContact C-N 3.33Å; I575-G577 PolarHBondContact O-N 3.31Å; I575-R578 PolarHBondContact O-N 2.76Å; I575-M579 HydrophobicContact CG2-CG 4.5Å; I575-M579 HydrophobicContact CG2-SD 4.17Å; I575-M579 VanDerWaalsContact O-CG 3.31Å; I575-M579 WeakPolarHBondContact O-CG 3.38Å; I575-M579 PolarHBondContact O-N 3.44Å
576	M	96.4	Very high	93.9	Very high	20 Å²	20	12.1 Å²	12.1	10%	0.099	7%	0.07	C	C	.	.	H	α-helix	trans	-61	-42.8	-179.8	-169.9	-173	-51.6	0	0	112.2	L436 L439 F443 L546 A572 G573 M579 L580	L436-M576 HydrophobicContact CD2-CG 4.49Å; L439-M576 HydrophobicContact CB-SD 3.46Å; L439-M576 WeakPolarHBondContact CB-SD 3.49Å; L439-M576 HydrophobicContact CD1-SD 4.32Å; F443-M576 HydrophobicContact CB-CE 3.99Å; F443-M576 HydrophobicContact CD2-CE 3.99Å; F443-M576 HydrophobicContact CG-CE 4.16Å; L546-M576 HydrophobicContact CD2-CE 4.48Å; A572-M576 PolarHBondContact O-N 3.13Å; A572-M576 VanDerWaalsContact O-N 3.09Å; G573-M576 PolarHBondContact O-N 2.66Å; M576-M579 PolarHBondContact O-N 3.49Å; M576-L580 PolarHBondContact O-N 2.92Å
577	G	96.2	Very high	93.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63	-47.5	175.6	0	0	0	0	0	112.2	G573 I575 M579 L580 G581 Y613	G573-G577 PolarHBondContact O-N 2.94Å; I575-G577 VanDerWaalsContact C-N 3.33Å; I575-G577 PolarHBondContact O-N 3.31Å; G577-M579 VanDerWaalsContact C-N 3.33Å; G577-M579 PolarHBondContact O-N 3.37Å; G577-L580 PolarHBondContact O-N 3.32Å; G577-G581 PolarHBondContact O-N 3.17Å; G577-Y613 WeakPolarHBondContact CA-O 3.2Å; G577-Y613 WeakPolarHBondContact O-CB 3.33Å
578	R	94.5	Very high	93.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.2	-42	178.2	-172.6	61.9	178.2	-145.2	4.9	111.7	L499 S501 C503 L511 A574 I575 G581 I582 A614	L499-R578 HydrophobicContact CD2-CB 3.9Å; L499-R578 HydrophobicContact CD2-CG 3.95Å; L499-R578 WeakPolarHBondContact O-CD 3.21Å; L499-R578 PolarHBondContact O-NH1 3.3Å; S501-R578 PolarHBondContact O-NH1 2.96Å; C503-R578 PolarHBondContact SG-NH2 3.18Å; C503-R578 VanDerWaalsContact SG-NH2 3.36Å; L511-R578 HydrophobicContact CD1-CG 4.42Å; L511-R578 HydrophobicContact CD2-CG 4.13Å; A574-R578 VanDerWaalsContact O-CB 3.24Å; A574-R578 WeakPolarHBondContact O-CB 3.34Å; A574-R578 PolarHBondContact O-N 3.27Å; I575-R578 PolarHBondContact O-N 2.76Å; R578-G581 PolarHBondContact O-N 3.49Å; R578-I582 HydrophobicContact CG-CD1 4Å; R578-I582 WeakPolarHBondContact O-CG1 3.43Å; R578-I582 PolarHBondContact O-N 3.5Å; R578-A614 HydrophobicContact CB-CB 4.02Å
579	M	94.8	Very high	92.9	Very high	42 Å²	42	18.6 Å²	18.6	21%	0.207	11%	0.106	C	C	.	.	H	α-helix	trans	-61.4	-46.9	176.2	-71.6	-177.6	-9.9	0	0	111.7	M539 L542 A543 L546 I575 M576 G577 G581 I582 A583	M539-M579 HydrophobicContact CE-CB 3.76Å; M539-M579 HydrophobicContact CE-CG 3.9Å; M539-M579 HydrophobicContact SD-CB 4.35Å; M539-M579 HydrophobicContact SD-CG 4.06Å; L542-M579 HydrophobicContact CB-CG 4.32Å; L542-M579 HydrophobicContact CB-SD 4.24Å; A543-M579 HydrophobicContact CB-SD 4.12Å; L546-M579 HydrophobicContact CD2-CE 4.49Å; I575-M579 HydrophobicContact CG2-CG 4.5Å; I575-M579 HydrophobicContact CG2-SD 4.17Å; I575-M579 VanDerWaalsContact O-CG 3.31Å; I575-M579 WeakPolarHBondContact O-CG 3.38Å; I575-M579 PolarHBondContact O-N 3.44Å; M576-M579 PolarHBondContact O-N 3.49Å; G577-M579 VanDerWaalsContact C-N 3.33Å; G577-M579 PolarHBondContact O-N 3.37Å; M579-G581 VanDerWaalsContact C-N 3.33Å; M579-I582 PolarHBondContact O-N 2.98Å; M579-A583 WeakPolarHBondContact O-CB 3.21Å; M579-A583 PolarHBondContact O-N 3.2Å
580	L	95.3	Very high	92.4	Very high	35 Å²	35	22 Å²	22	18%	0.183	13%	0.134	C	C	.	.	H	α-helix	trans	-66	-38.6	177.4	-169.2	71.2	0	0	0	111.5	P432 L435 L436 M576 G577 A583 T584	P432-L580 HydrophobicContact CB-CD2 4.15Å; L435-L580 HydrophobicContact CD2-CD1 4.34Å; L435-L580 HydrophobicContact CD2-CD2 4.39Å; L436-L580 HydrophobicContact CD1-CD2 4.11Å; L436-L580 HydrophobicContact CD2-CB 3.9Å; L436-L580 HydrophobicContact CD2-CD2 3.53Å; L436-L580 HydrophobicContact CD2-CG 4.36Å; L436-L580 HydrophobicContact CG-CD2 3.46Å; L436-L580 VanDerWaalsContact CG-CD2 3.46Å; M576-L580 PolarHBondContact O-N 2.92Å; G577-L580 PolarHBondContact O-N 3.32Å; L580-A583 WeakPolarHBondContact O-CB 3.47Å; L580-A583 PolarHBondContact O-N 3.29Å; L580-T584 HydrophobicContact CG-CG2 4.4Å; L580-T584 WeakPolarHBondContact O-CG2 3.18Å; L580-T584 PolarHBondContact O-N 3.27Å; L580-T584 PolarHBondContact O-OG1 2.85Å
581	G	93.2	Very high	91.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-42.1	177.6	0	0	0	0	0	113.1	G577 R578 M579 T584 E585	G577-G581 PolarHBondContact O-N 3.17Å; R578-G581 PolarHBondContact O-N 3.49Å; M579-G581 VanDerWaalsContact C-N 3.33Å; G581-T584 WeakPolarHBondContact CA-OG1 3.4Å; G581-T584 PolarHBondContact O-OG1 3.3Å; G581-E585 VanDerWaalsContact O-CB 3.29Å; G581-E585 WeakPolarHBondContact O-CB 3.27Å; G581-E585 PolarHBondContact O-N 2.99Å
582	I	91.9	Very high	90.9	Very high	6 Å²	6	29 Å²	29	3%	0.031	16%	0.164	C	C	.	.	H	α-helix	trans	-66.6	-41.7	173.6	-67.6	164.4	0	0	0	109.7	L511 L535 M539 R578 M579 T584 E585 Q586 P610	L511-I582 HydrophobicContact CD1-CD1 3.72Å; L535-I582 HydrophobicContact CD1-CD1 4.14Å; L535-I582 HydrophobicContact CD2-CG2 4.1Å; M539-I582 HydrophobicContact CE-CB 4.4Å; M539-I582 HydrophobicContact CE-CG2 4.46Å; M539-I582 HydrophobicContact SD-CB 4.06Å; M539-I582 HydrophobicContact SD-CD1 3.6Å; M539-I582 VanDerWaalsContact SD-CD1 3.6Å; M539-I582 HydrophobicContact SD-CG1 4.43Å; M539-I582 HydrophobicContact SD-CG2 4.1Å; R578-I582 HydrophobicContact CG-CD1 4Å; R578-I582 WeakPolarHBondContact O-CG1 3.43Å; R578-I582 PolarHBondContact O-N 3.5Å; M579-I582 PolarHBondContact O-N 2.98Å; I582-T584 PolarHBondContact O-N 3.46Å; I582-E585 PolarHBondContact O-N 3.32Å; I582-Q586 HydrophobicContact CG2-CG 4.21Å; I582-Q586 WeakPolarHBondContact O-CB 3.49Å; I582-Q586 VanDerWaalsContact O-CG 3.28Å; I582-Q586 WeakPolarHBondContact O-CG 3.38Å; I582-Q586 PolarHBondContact O-N 3.35Å; I582-P610 HydrophobicContact CG1-CB 4.01Å
583	A	92.6	Very high	89.9	Confident	51 Å²	51	33.8 Å²	33.8	42%	0.421	20%	0.197	S	C	.	.	H	α-helix	trans	-62.1	-42.2	178	0	0	0	0	0	112.6	M579 L580 L587	M579-A583 WeakPolarHBondContact O-CB 3.21Å; M579-A583 PolarHBondContact O-N 3.2Å; L580-A583 WeakPolarHBondContact O-CB 3.47Å; L580-A583 PolarHBondContact O-N 3.29Å; A583-L587 WeakPolarHBondContact O-CB 3.08Å; A583-L587 PolarHBondContact O-N 2.67Å
584	T	91	Very high	89.2	Confident	25 Å²	25	38.8 Å²	38.8	15%	0.153	22%	0.22	C	C	.	.	H	α-helix	trans	-69.2	-39.6	176.6	54.2	0	0	0	0	111.8	P432 L580 G581 I582 L587 V588 Y613	P432-T584 HydrophobicContact CB-CG2 4.11Å; P432-T584 HydrophobicContact CG-CG2 4.45Å; L580-T584 HydrophobicContact CG-CG2 4.4Å; L580-T584 WeakPolarHBondContact O-CG2 3.18Å; L580-T584 PolarHBondContact O-N 3.27Å; L580-T584 PolarHBondContact O-OG1 2.85Å; G581-T584 WeakPolarHBondContact CA-OG1 3.4Å; G581-T584 PolarHBondContact O-OG1 3.3Å; I582-T584 PolarHBondContact O-N 3.46Å; T584-L587 PolarHBondContact O-N 3.16Å; T584-V588 PolarHBondContact O-N 3.36Å; T584-Y613 HydrophobicContact CG2-CE1 4.13Å
585	E	88.4	Confident	88.2	Confident	11 Å²	11	43.4 Å²	43.4	5%	0.051	25%	0.25	C	S	.	.	H	α-helix	trans	-57.7	-51.4	173.4	-173.3	-167.5	179	0	0	111.2	Y514 N528 G581 I582 L587 V588 V589 I608	Y514-E585 WeakPolarHBondContact CE1-OE1 3.38Å; Y514-E585 PolarHBondContact OH-OE2 2.92Å; N528-E585 HydrophobicContact CB-CG 4.29Å; G581-E585 VanDerWaalsContact O-CB 3.29Å; G581-E585 WeakPolarHBondContact O-CB 3.27Å; G581-E585 PolarHBondContact O-N 2.99Å; I582-E585 PolarHBondContact O-N 3.32Å; E585-L587 VanDerWaalsContact C-N 3.31Å; E585-L587 PolarHBondContact O-N 3.06Å; E585-V588 PolarHBondContact O-N 3.19Å; E585-V588 VanDerWaalsContact O-N 3.14Å; E585-V589 WeakPolarHBondContact O-CG2 3.46Å; E585-V589 PolarHBondContact O-N 3.05Å; E585-I608 HydrophobicContact CB-CB 4.39Å; E585-I608 HydrophobicContact CB-CG2 4.1Å
586	Q	88.8	Confident	87.4	Confident	43 Å²	43	49 Å²	49	20%	0.201	28%	0.275	C	S	.	.	H	α-helix	trans	-66.4	-33.2	-178.8	-65.9	-51.1	-58.1	0	0	112.3	Y529 A531 I582 V589 A590	Y529-Q586 PolarHBondContact O-NE2 2.9Å; Y529-Q586 VanDerWaalsContact O-NE2 3.17Å; A531-Q586 HydrophobicContact CB-CG 4.27Å; I582-Q586 HydrophobicContact CG2-CG 4.21Å; I582-Q586 WeakPolarHBondContact O-CB 3.49Å; I582-Q586 VanDerWaalsContact O-CG 3.28Å; I582-Q586 WeakPolarHBondContact O-CG 3.38Å; I582-Q586 PolarHBondContact O-N 3.35Å; Q586-V589 PolarHBondContact O-N 3.25Å; Q586-A590 WeakPolarHBondContact O-CB 3.42Å; Q586-A590 PolarHBondContact O-N 3.25Å
587	L	88.5	Confident	86.5	Confident	102 Å²	102	48.8 Å²	48.8	53%	0.534	27%	0.274	S	S	.	.	H	α-helix	trans	-64.1	-42.1	172.8	-169.7	150.7	0	0	0	111.2	A583 T584 E585 A590 Y591	A583-L587 WeakPolarHBondContact O-CB 3.08Å; A583-L587 PolarHBondContact O-N 2.67Å; T584-L587 PolarHBondContact O-N 3.16Å; E585-L587 VanDerWaalsContact C-N 3.31Å; E585-L587 PolarHBondContact O-N 3.06Å; L587-A590 PolarHBondContact O-N 3.15Å; L587-Y591 HydrophobicContact CD2-CD2 4.08Å; L587-Y591 HydrophobicContact CG-CD2 4.13Å; L587-Y591 HydrophobicContact CG-CE2 4.34Å; L587-Y591 WeakPolarHBondContact O-CD2 3.13Å; L587-Y591 PolarHBondContact O-N 2.79Å; L587-Y591 VanDerWaalsContact O-N 3.08Å
588	V	85.8	Confident	85.4	Confident	17 Å²	17	51.4 Å²	51.4	10%	0.103	29%	0.29	C	S	.	.	H	α-helix	trans	-64.9	-40	175.6	163.1	0	0	0	0	111.9	T584 E585 Y591 A592 I597 I608	T584-V588 PolarHBondContact O-N 3.36Å; E585-V588 PolarHBondContact O-N 3.19Å; E585-V588 VanDerWaalsContact O-N 3.14Å; V588-Y591 CarbonylContact O-C 3.53Å; V588-Y591 PolarHBondContact O-N 3.4Å; V588-A592 WeakPolarHBondContact O-CA 3.4Å; V588-A592 PolarHBondContact O-N 3.39Å; V588-I597 HydrophobicContact CG1-CG2 3.78Å; V588-I608 HydrophobicContact CB-CD1 4.01Å; V588-I608 HydrophobicContact CG2-CD1 3.41Å; V588-I608 VanDerWaalsContact CG2-CD1 3.41Å; V588-I608 HydrophobicContact CG2-CG1 4.45Å
589	V	84.1	Confident	84.5	Confident	29 Å²	29	60.7 Å²	60.7	18%	0.176	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-42.7	175.6	174.4	0	0	0	0	111.1	N528 P530 E585 Q586 Y591 A592	N528-V589 HydrophobicContact CB-CG2 3.8Å; P530-V589 HydrophobicContact CB-CG1 4.3Å; E585-V589 WeakPolarHBondContact O-CG2 3.46Å; E585-V589 PolarHBondContact O-N 3.05Å; Q586-V589 PolarHBondContact O-N 3.25Å; V589-Y591 VanDerWaalsContact C-N 3.34Å; V589-Y591 PolarHBondContact O-N 3.2Å; V589-A592 WeakPolarHBondContact O-CB 3.38Å; V589-A592 PolarHBondContact O-N 3.1Å
590	A	84.6	Confident	83.7	Confident	75 Å²	75	60.3 Å²	60.3	62%	0.62	33%	0.328	S	S	*	.	H	α-helix	trans	-64.4	-36.5	179.6	0	0	0	0	0	112.9	Q586 L587	Q586-A590 WeakPolarHBondContact O-CB 3.42Å; Q586-A590 PolarHBondContact O-N 3.25Å; L587-A590 PolarHBondContact O-N 3.15Å
591	Y	84.1	Confident	82.7	Confident	140 Å²	140	59 Å²	59	55%	0.549	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	25.5	-179.6	-65.1	-74.7	0	0	0	113.4	L587 V588 V589 S593 H594 I597	L587-Y591 HydrophobicContact CD2-CD2 4.08Å; L587-Y591 HydrophobicContact CG-CD2 4.13Å; L587-Y591 HydrophobicContact CG-CE2 4.34Å; L587-Y591 WeakPolarHBondContact O-CD2 3.13Å; L587-Y591 PolarHBondContact O-N 2.79Å; L587-Y591 VanDerWaalsContact O-N 3.08Å; V588-Y591 CarbonylContact O-C 3.53Å; V588-Y591 PolarHBondContact O-N 3.4Å; V589-Y591 VanDerWaalsContact C-N 3.34Å; V589-Y591 PolarHBondContact O-N 3.2Å; Y591-S593 PolarHBondContact O-N 3.11Å; Y591-H594 WeakPolarHBondContact O-CB 3.48Å; Y591-H594 PolarHBondContact O-N 3.41Å; Y591-I597 VanDerWaalsContact O-CD1 3.31Å; Y591-I597 WeakPolarHBondContact O-CD1 3.37Å
592	A	74.9	Confident	81.5	Confident	11 Å²	11	65.9 Å²	65.9	9%	0.091	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-31	-173.4	0	0	0	0	0	114	M522 V588 V589 H594 V598	M522-A592 HydrophobicContact CG-CB 4.25Å; M522-A592 VanDerWaalsContact SD-C 3.53Å; M522-A592 HydrophobicContact SD-CB 3.88Å; V588-A592 WeakPolarHBondContact O-CA 3.4Å; V588-A592 PolarHBondContact O-N 3.39Å; V589-A592 WeakPolarHBondContact O-CB 3.38Å; V589-A592 PolarHBondContact O-N 3.1Å; A592-H594 VanDerWaalsContact C-N 3.27Å; A592-H594 PolarHBondContact O-N 3.04Å; A592-V598 WeakPolarHBondContact O-CG2 3.45Å
593	S	74.5	Confident	80.1	Confident	103 Å²	103	70 Å²	70	72%	0.72	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.4	178.9	58	0	0	0	0	114.5	Y591	Y591-S593 PolarHBondContact O-N 3.11Å
594	H	80.8	Confident	78.8	Confident	104 Å²	104	72.2 Å²	72.2	48%	0.481	39%	0.393	S	S	.	.	S	Bend	trans	-70.6	128.3	-177.6	-144.1	-69.9	0	0	0	109.8	Y591 A592 F596 I597 V598	Y591-H594 WeakPolarHBondContact O-CB 3.48Å; Y591-H594 PolarHBondContact O-N 3.41Å; A592-H594 VanDerWaalsContact C-N 3.27Å; A592-H594 PolarHBondContact O-N 3.04Å; H594-F596 PolarHBondContact O-N 3.44Å; H594-I597 HydrophobicContact CB-CD1 4.43Å; H594-I597 PolarHBondContact O-N 3.47Å; H594-V598 PolarHBondContact O-N 3.1Å
595	P	75.8	Confident	77.7	Confident	97 Å²	97	75.2 Å²	75.2	63%	0.63	41%	0.406	S	S	*	.	H	α-helix	trans	-58.3	-25.3	-173.5	18.5	-32.5	0	0	0	114	K599	P595-K599 PolarHBondContact O-N 2.85Å
596	F	78.6	Confident	76.9	Confident	118 Å²	118	76.7 Å²	76.7	52%	0.518	42%	0.416	S	S	.	.	H	α-helix	trans	-65.2	-43.5	175.5	-176.8	-97.7	0	0	0	112.6	M428 H594 K599 M600	M428-F596 HydrophobicContact CE-CE2 3.74Å; M428-F596 HydrophobicContact CE-CZ 3.58Å; M428-F596 HydrophobicContact CG-CE1 4.37Å; M428-F596 HydrophobicContact CG-CZ 3.86Å; M428-F596 HydrophobicContact SD-CZ 3.86Å; H594-F596 PolarHBondContact O-N 3.44Å; F596-K599 PolarHBondContact O-N 2.88Å; F596-M600 PolarHBondContact O-N 3.29Å
597	I	77.1	Confident	76.5	Confident	15 Å²	15	74.8 Å²	74.8	8%	0.077	41%	0.408	C	S	.	.	H	α-helix	trans	-73.3	-41.9	-178.6	-72.1	168	0	0	0	110.3	V588 Y591 H594 K599 M600 C601	V588-I597 HydrophobicContact CG1-CG2 3.78Å; Y591-I597 VanDerWaalsContact O-CD1 3.31Å; Y591-I597 WeakPolarHBondContact O-CD1 3.37Å; H594-I597 HydrophobicContact CB-CD1 4.43Å; H594-I597 PolarHBondContact O-N 3.47Å; I597-K599 PolarHBondContact O-N 3.25Å; I597-M600 WeakPolarHBondContact O-CB 3.2Å; I597-M600 PolarHBondContact O-N 2.9Å; I597-C601 PolarHBondContact O-N 3.13Å; I597-C601 VanDerWaalsContact O-N 3.11Å
598	V	73.4	Confident	76.4	Confident	55 Å²	55	70.3 Å²	70.3	33%	0.333	38%	0.384	S	S	.	.	H	α-helix	trans	-57.1	-37.3	175.4	174.8	0	0	0	0	111.7	M522 A592 H594	M522-V598 HydrophobicContact CE-CG2 4.21Å; M522-V598 HydrophobicContact SD-CG2 4.38Å; A592-V598 WeakPolarHBondContact O-CG2 3.45Å; H594-V598 PolarHBondContact O-N 3.1Å
599	K	77	Confident	76.4	Confident	196 Å²	196	70.2 Å²	70.2	85%	0.852	38%	0.383	S	S	*	.	H	α-helix	trans	-74.5	-26.7	177.6	-168.4	174.6	-179.2	179.3	0	113.2	P595 F596 I597	P595-K599 PolarHBondContact O-N 2.85Å; F596-K599 PolarHBondContact O-N 2.88Å; I597-K599 PolarHBondContact O-N 3.25Å
600	M	77	Confident	76.7	Confident	34 Å²	34	69.3 Å²	69.3	17%	0.167	38%	0.378	C	S	.	.	H	α-helix	trans	-76.4	-46.2	-178.1	-176	176.8	174.1	0	0	111.4	H426 M428 E429 F596 I597	H426-M600 HydrophobicContact CB-CE 3.52Å; H426-M600 HydrophobicContact CB-CG 4.07Å; H426-M600 PolarHBondContact CE1-O 3.47Å; H426-M600 PolarHBondContact ND1-O 3.38Å; M428-M600 HydrophobicContact CB-CE 3.65Å; M428-M600 HydrophobicContact CB-SD 3.91Å; M428-M600 HydrophobicContact CG-CE 4.49Å; M428-M600 HydrophobicContact CG-SD 4.27Å; E429-M600 HydrophobicContact CG-CE 3.71Å; F596-M600 PolarHBondContact O-N 3.29Å; I597-M600 WeakPolarHBondContact O-CB 3.2Å; I597-M600 PolarHBondContact O-N 2.9Å
601	C	75.2	Confident	76.9	Confident	8 Å²	8	65.8 Å²	65.8	5%	0.054	35%	0.349	C	S	.	.	S	Bend	trans	-84.2	119.4	-174.7	-53.4	0	0	0	0	111.6	Y526 I597 C607	Y526-C601 HydrophobicContact CD1-CB 3.53Å; Y526-C601 HydrophobicContact CE1-CB 3.69Å; Y526-C601 HydrophobicContact CG-CB 4.11Å; I597-C601 PolarHBondContact O-N 3.13Å; I597-C601 VanDerWaalsContact O-N 3.11Å; C601-C607 VanDerWaalsContact CA-SG 3.57Å; C601-C607 HydrophobicContact CB-CB 3.61Å; C601-C607 WeakPolarHBondContact CB-SG 3.41Å; C601-C607 WeakPolarHBondContact SG-CB 3.28Å; C601-C607 CovalentContact SG-SG 2.02Å; C601-C607 PolarHBondContact SG-SG 3.04Å
602	K	66.3	Low	77.1	Confident	143 Å²	143	59.5 Å²	59.5	62%	0.622	32%	0.324	S	S	*	.			trans	-76.1	141	172.4	-74	-179.1	-178.1	172.7	0	110.6	S604	K602-S604 PolarHBondContact O-N 3.07Å
603	S	63.9	Low	78	Confident	93 Å²	93	59.1 Å²	59.1	65%	0.65	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	21.5	-165.7	-169.5	0	0	0	0	118.1	V525	V525-S603 VanDerWaalsContact CG1-OG 3.3Å; V525-S603 WeakPolarHBondContact CG1-OG 3.03Å
604	S	65.7	Low	79	Confident	97 Å²	97	54.2 Å²	54.2	68%	0.678	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-156.7	8.2	-178.9	-167.7	0	0	0	0	115.9	K602	K602-S604 PolarHBondContact O-N 3.07Å
605	Q	67.7	Low	79.5	Confident	89 Å²	89	49.9 Å²	49.9	42%	0.416	27%	0.266	S	S	.	.	S	Bend	trans	-130.4	152.3	176.6	-72.5	-163.1	-8.2	0	0	110.1	C607	Q605-C607 PolarHBondContact O-N 3.25Å; Q605-C607 VanDerWaalsContact O-N 3.16Å
606	P	71.5	Confident	80.4	Confident	41 Å²	41	45.2 Å²	45.2	27%	0.266	24%	0.236	S	C	.	.			trans	-56.9	121.7	174.2	24.6	-33.3	0	0	0	108.9	Y526 Q527 I608	Y526-P606 WeakPolarHBondContact O-CA 3.38Å; Q527-P606 HydrophobicContact CB-CB 4.4Å; P606-I608 VanDerWaalsContact C-N 3.33Å; P606-I608 PolarHBondContact O-N 3.22Å
607	C	80.1	Confident	81.3	Confident	4 Å²	4	39.7 Å²	39.7	3%	0.027	21%	0.212	C	C	.	.	S	Bend	trans	-68.3	-35.7	-171.6	-174	0	0	0	0	112.3	Y526 N528 C601 Q605	Y526-C607 PolarHBondContact O-N 2.98Å; N528-C607 PolarHBondContact OD1-N 2.78Å; N528-C607 VanDerWaalsContact OD1-N 3.15Å; C601-C607 VanDerWaalsContact CA-SG 3.57Å; C601-C607 HydrophobicContact CB-CB 3.61Å; C601-C607 WeakPolarHBondContact CB-SG 3.41Å; C601-C607 WeakPolarHBondContact SG-CB 3.28Å; C601-C607 CovalentContact SG-SG 2.02Å; C601-C607 PolarHBondContact SG-SG 3.04Å; Q605-C607 PolarHBondContact O-N 3.25Å; Q605-C607 VanDerWaalsContact O-N 3.16Å
608	I	86.6	Confident	82.2	Confident	7 Å²	7	39.2 Å²	39.2	4%	0.036	21%	0.211	C	C	.	.			trans	-129.8	129.3	176.3	-66.9	-178	0	0	0	107.4	N528 E585 V588 P606 Y613	N528-I608 PolarHBondContact ND2-N 3.33Å; E585-I608 HydrophobicContact CB-CB 4.39Å; E585-I608 HydrophobicContact CB-CG2 4.1Å; V588-I608 HydrophobicContact CB-CD1 4.01Å; V588-I608 HydrophobicContact CG2-CD1 3.41Å; V588-I608 VanDerWaalsContact CG2-CD1 3.41Å; V588-I608 HydrophobicContact CG2-CG1 4.45Å; P606-I608 VanDerWaalsContact C-N 3.33Å; P606-I608 PolarHBondContact O-N 3.22Å; I608-Y613 HydrophobicContact CG2-CD2 4.44Å; I608-Y613 HydrophobicContact CG2-CE2 3.88Å
609	N	86.5	Confident	83.2	Confident	16 Å²	16	36.6 Å²	36.6	9%	0.086	20%	0.195	C	C	.	.			trans	-108.7	107.7	174.4	-167.2	-31.6	0	0	0	110	R502 G611 L612 Y613	R502-N609 PolarHBondContact NE-ND2 3.38Å; N609-G611 PolarHBondContact O-N 3.46Å; N609-G611 VanDerWaalsContact O-N 3.16Å; N609-G611 PolarHBondContact OD1-N 3.38Å; N609-G611 VanDerWaalsContact OD1-N 3.08Å; N609-L612 HydrophobicContact CB-CB 4.43Å; N609-L612 WeakPolarHBondContact O-CB 3.5Å; N609-L612 PolarHBondContact O-N 2.86Å; N609-Y613 WeakPolarHBondContact O-CD2 3.44Å
610	P	89.2	Confident	84.2	Confident	10 Å²	10	27.2 Å²	27.2	7%	0.065	15%	0.154	C	C	.	.	H	α-helix	trans	-64.8	-21.6	-177.1	27.3	-35.8	0	0	0	113	I582 Y613 A614	I582-P610 HydrophobicContact CG1-CB 4.01Å; P610-Y613 PolarHBondContact O-N 3.09Å; P610-A614 PolarHBondContact O-N 3.34Å; P610-A614 VanDerWaalsContact O-N 3.13Å
611	G	88.5	Confident	85.1	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.5	-36	173.3	0	0	0	0	0	113	Y421 N609 Y613 A614 M615	Y421-G611 WeakPolarHBondContact OH-CA 3.48Å; Y421-G611 PolarHBondContact OH-O 3.18Å; N609-G611 PolarHBondContact O-N 3.46Å; N609-G611 VanDerWaalsContact O-N 3.16Å; N609-G611 PolarHBondContact OD1-N 3.38Å; N609-G611 VanDerWaalsContact OD1-N 3.08Å; G611-Y613 VanDerWaalsContact C-N 3.32Å; G611-Y613 PolarHBondContact O-N 3.43Å; G611-A614 VanDerWaalsContact O-CB 3.32Å; G611-A614 WeakPolarHBondContact O-CB 3.1Å; G611-A614 PolarHBondContact O-N 2.89Å; G611-A614 VanDerWaalsContact O-N 3.16Å; G611-M615 WeakPolarHBondContact O-CG 3.36Å; G611-M615 PolarHBondContact O-N 2.89Å; G611-M615 VanDerWaalsContact O-N 3.11Å
612	L	89.8	Confident	86.1	Confident	8 Å²	8	25.5 Å²	25.5	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-41.1	175.2	176.9	60.5	0	0	0	111.2	Y421 W425 F433 N609 A614 M615 V616 Y645	Y421-L612 PolarHBondContact OH-N 3.18Å; W425-L612 HydrophobicContact CB-CD2 4.1Å; F433-L612 HydrophobicContact CE1-CG 4.5Å; F433-L612 HydrophobicContact CZ-CD2 3.93Å; F433-L612 HydrophobicContact CZ-CG 4.18Å; N609-L612 HydrophobicContact CB-CB 4.43Å; N609-L612 WeakPolarHBondContact O-CB 3.5Å; N609-L612 PolarHBondContact O-N 2.86Å; L612-A614 VanDerWaalsContact C-N 3.3Å; L612-A614 PolarHBondContact O-N 3.34Å; L612-M615 HydrophobicContact CD1-CE 3.68Å; L612-M615 PolarHBondContact O-N 3.28Å; L612-V616 HydrophobicContact CD1-CG2 4.34Å; L612-V616 WeakPolarHBondContact O-CG2 3.07Å; L612-V616 PolarHBondContact O-N 3.07Å; L612-Y645 HydrophobicContact CD1-CD1 3.42Å; L612-Y645 VanDerWaalsContact CD1-CD1 3.42Å; L612-Y645 HydrophobicContact CD1-CD2 4.43Å; L612-Y645 HydrophobicContact CD1-CE1 3.82Å; L612-Y645 HydrophobicContact CD1-CG 3.77Å; L612-Y645 HydrophobicContact CD2-CD1 3.91Å; L612-Y645 HydrophobicContact CD2-CE1 3.85Å; L612-Y645 HydrophobicContact CG-CD1 4.34Å; L612-Y645 HydrophobicContact CG-CE1 4.48Å
613	Y	93.8	Very high	87.4	Confident	3 Å²	3	18.7 Å²	18.7	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-64.1	-37.3	176	-74.7	-113.2	0	0	0	111.3	E429 P432 F433 L436 G577 T584 I608 N609 P610 G611 M615 V616 G617	E429-Y613 WeakPolarHBondContact CB-OH 3.42Å; E429-Y613 WeakPolarHBondContact CG-OH 3.04Å; E429-Y613 WeakPolarHBondContact OE2-CE2 3.35Å; E429-Y613 PolarHBondContact OE2-OH 3.41Å; P432-Y613 HydrophobicContact CB-CE1 3.89Å; P432-Y613 HydrophobicContact CG-CE1 3.88Å; F433-Y613 HydrophobicContact CD1-CD1 4.3Å; F433-Y613 HydrophobicContact CD1-CE1 4.2Å; F433-Y613 AromaticContact CE1-CD1 3.98Å; F433-Y613 HydrophobicContact CE1-CD1 3.98Å; F433-Y613 AromaticContact CE1-CD2 3.87Å; F433-Y613 HydrophobicContact CE1-CD2 3.87Å; F433-Y613 AromaticContact CE1-CE1 3.87Å; F433-Y613 HydrophobicContact CE1-CE1 3.87Å; F433-Y613 AromaticContact CE1-CE2 3.73Å; F433-Y613 HydrophobicContact CE1-CE2 3.73Å; F433-Y613 AromaticContact CE1-CG 3.96Å; F433-Y613 HydrophobicContact CE1-CG 3.96Å; F433-Y613 AromaticContact CE1-CZ 3.71Å; F433-Y613 HydrophobicContact CZ-CD2 4.43Å; F433-Y613 AromaticContact CZ-CE2 3.98Å; F433-Y613 HydrophobicContact CZ-CE2 3.98Å; L436-Y613 HydrophobicContact CD1-CD1 4.02Å; G577-Y613 WeakPolarHBondContact CA-O 3.2Å; G577-Y613 WeakPolarHBondContact O-CB 3.33Å; T584-Y613 HydrophobicContact CG2-CE1 4.13Å; I608-Y613 HydrophobicContact CG2-CD2 4.44Å; I608-Y613 HydrophobicContact CG2-CE2 3.88Å; N609-Y613 WeakPolarHBondContact O-CD2 3.44Å; P610-Y613 PolarHBondContact O-N 3.09Å; G611-Y613 VanDerWaalsContact C-N 3.32Å; G611-Y613 PolarHBondContact O-N 3.43Å; Y613-M615 VanDerWaalsContact C-N 3.34Å; Y613-M615 PolarHBondContact O-N 2.94Å; Y613-V616 PolarHBondContact O-N 3.05Å; Y613-G617 PolarHBondContact O-N 3.04Å
614	A	94.3	Very high	88.9	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.1	-44.5	173.1	0	0	0	0	0	111.6	L499 V500 A574 R578 P610 G611 L612 G617 A618	L499-A614 HydrophobicContact CB-CB 4.47Å; L499-A614 WeakPolarHBondContact O-CB 3.45Å; V500-A614 HydrophobicContact CG2-CB 4.21Å; A574-A614 WeakPolarHBondContact CA-O 3.38Å; A574-A614 HydrophobicContact CB-CB 4.49Å; R578-A614 HydrophobicContact CB-CB 4.02Å; P610-A614 PolarHBondContact O-N 3.34Å; P610-A614 VanDerWaalsContact O-N 3.13Å; G611-A614 VanDerWaalsContact O-CB 3.32Å; G611-A614 WeakPolarHBondContact O-CB 3.1Å; G611-A614 PolarHBondContact O-N 2.89Å; G611-A614 VanDerWaalsContact O-N 3.16Å; L612-A614 VanDerWaalsContact C-N 3.3Å; L612-A614 PolarHBondContact O-N 3.34Å; A614-G617 PolarHBondContact O-N 3.23Å; A614-A618 WeakPolarHBondContact O-CB 3.49Å; A614-A618 PolarHBondContact O-N 2.84Å
615	M	92.4	Very high	90.3	Very high	13 Å²	13	9.6 Å²	9.6	6%	0.064	5%	0.052	C	C	.	.	H	α-helix	trans	-64.9	-46.5	177.3	-60.2	-167.3	-61.7	0	0	112.7	Y421 V500 G611 L612 Y613 G617 A618 A619 T640	Y421-M615 HydrophobicContact CD2-CE 3.46Å; Y421-M615 VanDerWaalsContact CD2-CE 3.46Å; Y421-M615 HydrophobicContact CD2-SD 3.97Å; Y421-M615 HydrophobicContact CE1-CE 4.42Å; Y421-M615 HydrophobicContact CE2-CE 3.22Å; Y421-M615 HydrophobicContact CE2-CG 4.48Å; Y421-M615 HydrophobicContact CE2-SD 3.38Å; Y421-M615 WeakPolarHBondContact CE2-SD 3.33Å; Y421-M615 HydrophobicContact CG-CE 4.15Å; V500-M615 HydrophobicContact CB-CG 4.28Å; V500-M615 HydrophobicContact CG1-CG 3.35Å; V500-M615 HydrophobicContact CG1-SD 3.51Å; V500-M615 VanDerWaalsContact CG1-SD 3.51Å; V500-M615 HydrophobicContact CG2-CG 3.87Å; G611-M615 WeakPolarHBondContact O-CG 3.36Å; G611-M615 PolarHBondContact O-N 2.89Å; G611-M615 VanDerWaalsContact O-N 3.11Å; L612-M615 HydrophobicContact CD1-CE 3.68Å; L612-M615 PolarHBondContact O-N 3.28Å; Y613-M615 VanDerWaalsContact C-N 3.34Å; Y613-M615 PolarHBondContact O-N 2.94Å; M615-G617 VanDerWaalsContact C-N 3.31Å; M615-G617 PolarHBondContact O-N 3.46Å; M615-A618 WeakPolarHBondContact O-CB 3.47Å; M615-A618 PolarHBondContact O-N 3.39Å; M615-A619 PolarHBondContact O-N 3.16Å; M615-T640 HydrophobicContact CE-CG2 3.78Å; M615-T640 HydrophobicContact SD-CG2 3.2Å; M615-T640 WeakPolarHBondContact SD-CG2 3.44Å
616	V	94.8	Very high	91.5	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-63.3	-40.3	178.2	176.6	0	0	0	0	110.7	F433 L436 L612 Y613 A619 A620 P648 L649 A652	F433-V616 HydrophobicContact CB-CG1 4.15Å; F433-V616 HydrophobicContact CD1-CB 4.07Å; F433-V616 HydrophobicContact CD1-CG1 3.8Å; F433-V616 HydrophobicContact CD1-CG2 4.05Å; F433-V616 HydrophobicContact CE1-CB 4.39Å; F433-V616 HydrophobicContact CE1-CG2 4.05Å; F433-V616 HydrophobicContact CG-CG1 4.18Å; L436-V616 HydrophobicContact CD1-CB 4.41Å; L436-V616 HydrophobicContact CD1-CG1 4.31Å; L612-V616 HydrophobicContact CD1-CG2 4.34Å; L612-V616 WeakPolarHBondContact O-CG2 3.07Å; L612-V616 PolarHBondContact O-N 3.07Å; Y613-V616 PolarHBondContact O-N 3.05Å; V616-A619 PolarHBondContact O-N 3.07Å; V616-A620 VanDerWaalsContact O-CB 3.32Å; V616-A620 WeakPolarHBondContact O-CB 3.37Å; V616-A620 PolarHBondContact O-N 3.3Å; V616-P648 HydrophobicContact CG2-CB 4.16Å; V616-L649 HydrophobicContact CG2-CD2 4.19Å; V616-A652 HydrophobicContact CG1-CB 3.39Å
617	G	96.4	Very high	92.5	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.01	2%	0.022	C	C	.	.	H	α-helix	trans	-64.8	-39.1	174.7	0	0	0	0	0	113.1	G573 Y613 A614 M615 A620 T621	G573-G617 CarbonylContact C-O 3.19Å; G573-G617 WeakPolarHBondContact CA-O 3.35Å; G573-G617 CarbonylContact O-C 3.51Å; G573-G617 WeakPolarHBondContact O-CA 3.48Å; Y613-G617 PolarHBondContact O-N 3.04Å; A614-G617 PolarHBondContact O-N 3.23Å; M615-G617 VanDerWaalsContact C-N 3.31Å; M615-G617 PolarHBondContact O-N 3.46Å; G617-A620 PolarHBondContact O-N 3.3Å; G617-T621 WeakPolarHBondContact O-CB 3.1Å; G617-T621 PolarHBondContact O-N 2.99Å; G617-T621 PolarHBondContact O-OG1 3.05Å
618	A	95.5	Very high	93	Very high	5 Å²	5	4.1 Å²	4.1	4%	0.041	2%	0.022	C	C	.	.	H	α-helix	trans	-60.8	-49.3	174.2	0	0	0	0	0	111	L570 G573 A574 A614 M615 T621 L622	L570-A618 HydrophobicContact CB-CB 4.46Å; L570-A618 HydrophobicContact CD2-CB 3.91Å; L570-A618 WeakPolarHBondContact O-CB 3.29Å; G573-A618 VanDerWaalsContact C-N 3.34Å; G573-A618 PolarHBondContact O-N 2.61Å; A574-A618 HydrophobicContact CB-CB 4.19Å; A614-A618 WeakPolarHBondContact O-CB 3.49Å; A614-A618 PolarHBondContact O-N 2.84Å; M615-A618 WeakPolarHBondContact O-CB 3.47Å; M615-A618 PolarHBondContact O-N 3.39Å; A618-T621 PolarHBondContact O-N 2.81Å; A618-L622 WeakPolarHBondContact O-CB 3.38Å; A618-L622 PolarHBondContact O-N 3.26Å
619	A	95.6	Very high	93.2	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-61	-46.3	175	0	0	0	0	0	111.9	M615 V616 T621 L622 G623 L632 M636 L649	M615-A619 PolarHBondContact O-N 3.16Å; V616-A619 PolarHBondContact O-N 3.07Å; A619-T621 PolarHBondContact O-N 2.93Å; A619-L622 PolarHBondContact O-N 3.44Å; A619-G623 PolarHBondContact O-N 3.49Å; A619-L632 VanDerWaalsContact O-CD2 3.29Å; A619-L632 WeakPolarHBondContact O-CD2 3.27Å; A619-M636 HydrophobicContact CB-CE 4.49Å; A619-M636 HydrophobicContact CB-CG 4.02Å; A619-L649 HydrophobicContact CB-CD2 3.75Å
620	A	97.3	Very high	93.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-57.8	-47.3	178.6	0	0	0	0	0	112	L436 V616 G617 G623 G624 A652 S656	L436-A620 WeakPolarHBondContact O-CB 3.47Å; V616-A620 VanDerWaalsContact O-CB 3.32Å; V616-A620 WeakPolarHBondContact O-CB 3.37Å; V616-A620 PolarHBondContact O-N 3.3Å; G617-A620 PolarHBondContact O-N 3.3Å; A620-G623 PolarHBondContact O-N 2.88Å; A620-G624 PolarHBondContact O-N 2.86Å; A620-A652 HydrophobicContact CB-CB 4.25Å; A620-S656 VanDerWaalsContact O-CB 3.27Å; A620-S656 WeakPolarHBondContact O-CB 3.27Å; A620-S656 PolarHBondContact O-OG 3.24Å
621	T	96.7	Very high	93.8	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.006	5%	0.049	C	C	.	.	H	α-helix	trans	-70.9	-41	-176.7	-56.1	0	0	0	0	111.6	F443 S569 A572 G573 G617 A618 A619 G624 V625	F443-T621 HydrophobicContact CB-CG2 4.46Å; F443-T621 HydrophobicContact CD1-CG2 3.31Å; F443-T621 HydrophobicContact CE1-CG2 3.69Å; F443-T621 HydrophobicContact CG-CG2 4.02Å; S569-T621 WeakPolarHBondContact O-CG2 3.29Å; A572-T621 HydrophobicContact CB-CG2 4.43Å; G573-T621 WeakPolarHBondContact CA-OG1 3.49Å; G617-T621 WeakPolarHBondContact O-CB 3.1Å; G617-T621 PolarHBondContact O-N 2.99Å; G617-T621 PolarHBondContact O-OG1 3.05Å; A618-T621 PolarHBondContact O-N 2.81Å; A619-T621 PolarHBondContact O-N 2.93Å; T621-G624 PolarHBondContact O-N 3.14Å; T621-V625 WeakPolarHBondContact O-CG2 3.46Å; T621-V625 PolarHBondContact O-N 2.87Å
622	L	95.1	Very high	94.1	Very high	4 Å²	4	9.6 Å²	9.6	2%	0.021	5%	0.051	C	C	.	.	H	α-helix	trans	-63.9	-45.6	175.3	179.1	58.3	0	0	0	111.5	F566 L570 A618 A619 G624 V625 T626 L632	F566-L622 HydrophobicContact CD1-CD1 3.57Å; F566-L622 HydrophobicContact CD1-CD2 3.8Å; F566-L622 HydrophobicContact CD1-CG 4.26Å; F566-L622 HydrophobicContact CE1-CD1 4.2Å; F566-L622 HydrophobicContact CE1-CD2 4.5Å; F566-L622 HydrophobicContact CG-CD1 4.48Å; L570-L622 HydrophobicContact CD1-CD2 4.26Å; L570-L622 HydrophobicContact CD2-CB 3.8Å; L570-L622 HydrophobicContact CD2-CD2 3.61Å; L570-L622 HydrophobicContact CD2-CG 4.32Å; L570-L622 HydrophobicContact CG-CB 4.37Å; L570-L622 HydrophobicContact CG-CD2 3.87Å; A618-L622 WeakPolarHBondContact O-CB 3.38Å; A618-L622 PolarHBondContact O-N 3.26Å; A619-L622 PolarHBondContact O-N 3.44Å; L622-G624 PolarHBondContact O-N 3.37Å; L622-V625 PolarHBondContact O-N 3.49Å; L622-V625 VanDerWaalsContact O-N 3.16Å; L622-T626 HydrophobicContact CD1-CG2 3.72Å; L622-T626 PolarHBondContact O-N 2.99Å; L622-T626 PolarHBondContact O-OG1 3.15Å; L622-L632 HydrophobicContact CB-CD1 4.42Å; L622-L632 HydrophobicContact CB-CD2 4.3Å; L622-L632 HydrophobicContact CD2-CD1 3.47Å; L622-L632 VanDerWaalsContact CD2-CD1 3.47Å; L622-L632 HydrophobicContact CG-CD1 4.07Å; L622-L632 HydrophobicContact CG-CD2 4.31Å
623	G	94.8	Very high	94.3	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.1	-31.3	175	0	0	0	0	0	112.9	A619 A620 R627	A619-G623 PolarHBondContact O-N 3.49Å; A620-G623 PolarHBondContact O-N 2.88Å; G623-R627 WeakPolarHBondContact O-CA 3.05Å; G623-R627 PolarHBondContact O-N 2.94Å
624	G	95	Very high	94.3	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-70.4	-37.4	175.2	0	0	0	0	0	113.2	A620 T621 L622 R627 S656	A620-G624 PolarHBondContact O-N 2.86Å; T621-G624 PolarHBondContact O-N 3.14Å; L622-G624 PolarHBondContact O-N 3.37Å; G624-R627 PolarHBondContact O-NH1 2.92Å; G624-R627 PolarHBondContact O-NH2 3.15Å; G624-S656 WeakPolarHBondContact CA-OG 3.32Å; G624-S656 PolarHBondContact N-OG 3.44Å
625	V	94.8	Very high	94.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-76.6	-47.9	178.7	172.3	0	0	0	0	111.5	F447 N448 L565 T621 L622 I668	F447-V625 HydrophobicContact CD1-CG1 3.96Å; F447-V625 HydrophobicContact CD1-CG2 4.15Å; F447-V625 HydrophobicContact CE1-CG1 4.13Å; N448-V625 PolarHBondContact ND2-O 3.34Å; N448-V625 VanDerWaalsContact ND2-O 3.13Å; L565-V625 HydrophobicContact CD2-CG1 3.65Å; L565-V625 HydrophobicContact CG-CG1 4.2Å; T621-V625 WeakPolarHBondContact O-CG2 3.46Å; T621-V625 PolarHBondContact O-N 2.87Å; L622-V625 PolarHBondContact O-N 3.49Å; L622-V625 VanDerWaalsContact O-N 3.16Å; V625-I668 HydrophobicContact CG1-CB 4.41Å; V625-I668 HydrophobicContact CG1-CG2 4.05Å; V625-I668 PolarHBondContact O-N 3.24Å
626	T	92.7	Very high	94.2	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.006	6%	0.062	C	C	.	.	H	α-helix	trans	-95.6	-13.4	-173.1	63.2	0	0	0	0	114.8	F566 L622 M628 S667 Y669	F566-T626 HydrophobicContact CE1-CG2 4.12Å; L622-T626 HydrophobicContact CD1-CG2 3.72Å; L622-T626 PolarHBondContact O-N 2.99Å; L622-T626 PolarHBondContact O-OG1 3.15Å; T626-M628 HydrophobicContact CG2-SD 4.24Å; T626-M628 PolarHBondContact O-N 3.47Å; T626-M628 WeakPolarHBondContact OG1-CG 3.35Å; T626-M628 PolarHBondContact OG1-SD 2.85Å; T626-S667 WeakPolarHBondContact O-CB 3.42Å; T626-Y669 HydrophobicContact CG2-CE2 3.91Å
627	R	92	Very high	94	Very high	13 Å²	13	12.2 Å²	12.2	5%	0.049	7%	0.066	C	C	.	.			trans	63.7	16.2	-174.7	-50.6	-61.7	-178.2	-159.6	-17	115.5	G623 G624 S656 K657 G660 D661 T664	G623-R627 WeakPolarHBondContact O-CA 3.05Å; G623-R627 PolarHBondContact O-N 2.94Å; G624-R627 PolarHBondContact O-NH1 2.92Å; G624-R627 PolarHBondContact O-NH2 3.15Å; R627-S656 PolarHBondContact NH1-O 3.42Å; R627-K657 PolarHBondContact NH1-O 3.06Å; R627-K657 VanDerWaalsContact NH1-O 3.15Å; R627-K657 PolarHBondContact O-NZ 3.25Å; R627-K657 VanDerWaalsContact O-NZ 3.14Å; R627-G660 PolarHBondContact NH2-O 3.33Å; R627-D661 VanDerWaalsContact CD-OD1 3.22Å; R627-D661 WeakPolarHBondContact CD-OD1 3.47Å; R627-D661 IonicContact CZ-OD1 2.64Å; R627-D661 IonicContact NE-OD1 3.72Å; R627-D661 PolarHBondContact NE-OD1 3.41Å; R627-T664 PolarHBondContact NH2-OG1 2.96Å
628	M	90.6	Very high	93.6	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.02	8%	0.077	C	C	.	.			trans	-80.7	142.6	176.5	-67	161.1	179.7	0	0	111.3	F375 E379 F566 T626 L632 Y669	F375-M628 HydrophobicContact CD2-CE 3.97Å; F375-M628 HydrophobicContact CD2-SD 3.99Å; F375-M628 HydrophobicContact CE2-CE 3.15Å; F375-M628 HydrophobicContact CE2-SD 3.57Å; F375-M628 VanDerWaalsContact CE2-SD 3.57Å; F375-M628 HydrophobicContact CZ-CE 3.73Å; E379-M628 HydrophobicContact CB-CE 3.72Å; E379-M628 HydrophobicContact CG-CE 3.34Å; F566-M628 HydrophobicContact CE1-CE 4.48Å; F566-M628 HydrophobicContact CE1-SD 4.02Å; F566-M628 HydrophobicContact CZ-CE 4.39Å; F566-M628 HydrophobicContact CZ-SD 4.47Å; T626-M628 HydrophobicContact CG2-SD 4.24Å; T626-M628 PolarHBondContact O-N 3.47Å; T626-M628 WeakPolarHBondContact OG1-CG 3.35Å; T626-M628 PolarHBondContact OG1-SD 2.85Å; M628-L632 HydrophobicContact CB-CB 4.24Å; M628-Y669 HydrophobicContact CE-CD2 4.38Å; M628-Y669 HydrophobicContact CE-CE2 4.06Å
629	T	91.9	Very high	93.1	Very high	28 Å²	28	14.7 Å²	14.7	17%	0.172	8%	0.077	C	C	.	.			trans	-123.1	-71.9	179.2	55.2	0	0	0	0	112.6	E378 L632 V633 K657	E378-T629 PolarHBondContact OE1-N 3.22Å; E378-T629 PolarHBondContact OE1-OG1 3.33Å; T629-L632 PolarHBondContact O-N 3.19Å; T629-V633 WeakPolarHBondContact O-CG2 3.11Å; T629-V633 PolarHBondContact O-N 2.77Å; T629-V633 VanDerWaalsContact O-N 3.08Å; T629-K657 HydrophobicContact CG2-CB 4.18Å; T629-K657 HydrophobicContact CG2-CD 3.39Å; T629-K657 HydrophobicContact CG2-CG 4.41Å
630	I	93.6	Very high	92.5	Very high	111 Å²	111	15 Å²	15	57%	0.569	8%	0.079	S	C	*	.	H	α-helix	trans	-69.1	-50.8	-166.9	-62.5	172.1	0	0	0	110.2	L374 E378 L632 V633 V634	L374-I630 HydrophobicContact CD1-CG2 4.34Å; E378-I630 PolarHBondContact OE2-N 3.46Å; I630-L632 VanDerWaalsContact C-N 3.29Å; I630-L632 PolarHBondContact O-N 3.36Å; I630-V633 PolarHBondContact O-N 2.04Å; I630-V634 WeakPolarHBondContact O-CG2 2.94Å; I630-V634 PolarHBondContact O-N 3.25Å; I630-V634 VanDerWaalsContact O-N 3.09Å
631	S	93.9	Very high	91.7	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.014	11%	0.105	C	C	.	.	H	α-helix	trans	-56.9	-43.4	177.6	53.1	0	0	0	0	111.8	E378 V634 V635	E378-S631 WeakPolarHBondContact OE2-CB 3.43Å; E378-S631 PolarHBondContact OE2-N 3.47Å; E378-S631 PolarHBondContact OE2-OG 3.39Å; S631-V634 PolarHBondContact O-N 2.96Å; S631-V635 VanDerWaalsContact O-CG2 3.27Å; S631-V635 WeakPolarHBondContact O-CG2 3.5Å; S631-V635 PolarHBondContact O-N 2.91Å
632	L	94.2	Very high	90.8	Very high	7 Å²	7	17.9 Å²	17.9	4%	0.037	11%	0.109	C	C	.	.	H	α-helix	trans	-62.5	-45.3	179.5	176.6	58.5	0	0	0	112.6	A619 L622 M628 T629 I630 V634 V635 M636	A619-L632 VanDerWaalsContact O-CD2 3.29Å; A619-L632 WeakPolarHBondContact O-CD2 3.27Å; L622-L632 HydrophobicContact CB-CD1 4.42Å; L622-L632 HydrophobicContact CB-CD2 4.3Å; L622-L632 HydrophobicContact CD2-CD1 3.47Å; L622-L632 VanDerWaalsContact CD2-CD1 3.47Å; L622-L632 HydrophobicContact CG-CD1 4.07Å; L622-L632 HydrophobicContact CG-CD2 4.31Å; M628-L632 HydrophobicContact CB-CB 4.24Å; T629-L632 PolarHBondContact O-N 3.19Å; I630-L632 VanDerWaalsContact C-N 3.29Å; I630-L632 PolarHBondContact O-N 3.36Å; L632-V634 VanDerWaalsContact C-N 3.33Å; L632-V634 PolarHBondContact O-N 2.95Å; L632-V635 PolarHBondContact O-N 2.96Å; L632-M636 HydrophobicContact CD1-CE 4.07Å; L632-M636 HydrophobicContact CD1-CG 4.32Å; L632-M636 WeakPolarHBondContact O-CG 3.46Å; L632-M636 PolarHBondContact O-N 3.13Å
633	V	94.9	Very high	90.3	Very high	9 Å²	9	24.1 Å²	24.1	6%	0.055	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-44.6	177.6	172.1	0	0	0	0	110.3	T629 I630 M636 L637 I646 L649 M650 A653	T629-V633 WeakPolarHBondContact O-CG2 3.11Å; T629-V633 PolarHBondContact O-N 2.77Å; T629-V633 VanDerWaalsContact O-N 3.08Å; I630-V633 PolarHBondContact O-N 2.04Å; V633-M636 PolarHBondContact O-N 3Å; V633-L637 HydrophobicContact CG1-CD1 4.08Å; V633-L637 HydrophobicContact CG1-CG 4.42Å; V633-L637 WeakPolarHBondContact O-CG 3.5Å; V633-L637 PolarHBondContact O-N 2.95Å; V633-I646 HydrophobicContact CG1-CG1 4.32Å; V633-L649 HydrophobicContact CG1-CB 4.15Å; V633-L649 HydrophobicContact CG2-CB 4.34Å; V633-M650 HydrophobicContact CG1-CG 3.96Å; V633-M650 HydrophobicContact CG2-CG 4.14Å; V633-A653 HydrophobicContact CG2-CB 4.12Å
634	V	95	Very high	89.9	Confident	32 Å²	32	28.6 Å²	28.6	19%	0.194	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-41.9	179.6	176.1	0	0	0	0	111.8	I370 L374 I630 S631 L632 M636 L637 E638	I370-V634 HydrophobicContact CB-CG1 4.07Å; I370-V634 HydrophobicContact CG2-CG1 3.85Å; L374-V634 HydrophobicContact CD1-CB 3.95Å; L374-V634 HydrophobicContact CD1-CG1 4.05Å; L374-V634 HydrophobicContact CD1-CG2 3.62Å; I630-V634 WeakPolarHBondContact O-CG2 2.94Å; I630-V634 PolarHBondContact O-N 3.25Å; I630-V634 VanDerWaalsContact O-N 3.09Å; S631-V634 PolarHBondContact O-N 2.96Å; L632-V634 VanDerWaalsContact C-N 3.33Å; L632-V634 PolarHBondContact O-N 2.95Å; V634-M636 VanDerWaalsContact C-N 3.29Å; V634-M636 PolarHBondContact O-N 3.34Å; V634-L637 PolarHBondContact O-N 2.83Å; V634-L637 VanDerWaalsContact O-N 3.16Å; V634-E638 PolarHBondContact O-N 3.4Å
635	V	92.6	Very high	89.5	Confident	9 Å²	9	28.7 Å²	28.7	6%	0.055	17%	0.166	C	C	.	.	H	α-helix	trans	-55.6	-47.1	172.7	168.7	0	0	0	0	110.2	F366 A368 S631 L632 L637 E638 L639	F366-V635 HydrophobicContact CB-CG1 3.82Å; F366-V635 HydrophobicContact CD1-CG1 4.12Å; F366-V635 HydrophobicContact CD2-CG1 4.29Å; F366-V635 HydrophobicContact CG-CG1 3.82Å; A368-V635 HydrophobicContact CB-CB 4.39Å; A368-V635 HydrophobicContact CB-CG1 4.21Å; A368-V635 HydrophobicContact CB-CG2 4.13Å; S631-V635 VanDerWaalsContact O-CG2 3.27Å; S631-V635 WeakPolarHBondContact O-CG2 3.5Å; S631-V635 PolarHBondContact O-N 2.91Å; L632-V635 PolarHBondContact O-N 2.96Å; V635-L637 VanDerWaalsContact C-N 3.33Å; V635-L637 PolarHBondContact O-N 3.36Å; V635-E638 PolarHBondContact O-N 3.23Å; V635-L639 HydrophobicContact CG1-CD1 3.7Å; V635-L639 HydrophobicContact CG1-CG 4.3Å; V635-L639 WeakPolarHBondContact O-CB 3.39Å; V635-L639 WeakPolarHBondContact O-CD1 3.39Å; V635-L639 WeakPolarHBondContact O-CG 3.21Å; V635-L639 PolarHBondContact O-N 3.15Å
636	M	91	Very high	89.4	Confident	13 Å²	13	32 Å²	32	6%	0.064	18%	0.183	C	C	.	.	H	α-helix	trans	-64.2	-34.2	178.4	-71.1	-65.8	167.1	0	0	113.6	L570 A619 L632 V633 V634 L639 T640 L649	L570-M636 HydrophobicContact CD1-CE 4.29Å; L570-M636 HydrophobicContact CD2-CE 3.16Å; L570-M636 HydrophobicContact CG-CE 4.36Å; A619-M636 HydrophobicContact CB-CE 4.49Å; A619-M636 HydrophobicContact CB-CG 4.02Å; L632-M636 HydrophobicContact CD1-CE 4.07Å; L632-M636 HydrophobicContact CD1-CG 4.32Å; L632-M636 WeakPolarHBondContact O-CG 3.46Å; L632-M636 PolarHBondContact O-N 3.13Å; V633-M636 PolarHBondContact O-N 3Å; V634-M636 VanDerWaalsContact C-N 3.29Å; V634-M636 PolarHBondContact O-N 3.34Å; M636-L639 HydrophobicContact SD-CD1 4.09Å; M636-T640 WeakPolarHBondContact O-CB 3.39Å; M636-T640 VanDerWaalsContact O-CG2 3.25Å; M636-T640 WeakPolarHBondContact O-CG2 3.48Å; M636-T640 PolarHBondContact O-N 3.46Å; M636-T640 VanDerWaalsContact O-N 3.16Å; M636-T640 PolarHBondContact O-OG1 2.83Å; M636-L649 HydrophobicContact CB-CD1 3.9Å; M636-L649 HydrophobicContact CB-CD2 4.23Å
637	L	89.8	Confident	89.4	Confident	16 Å²	16	35.8 Å²	35.8	8%	0.084	20%	0.203	C	C	.	.	H	α-helix	trans	-69.4	-42.6	175.5	-68.9	172.6	0	0	0	112.1	V633 V634 V635 L639 T640 G641 G642 L643 I646 L649	V633-L637 HydrophobicContact CG1-CD1 4.08Å; V633-L637 HydrophobicContact CG1-CG 4.42Å; V633-L637 WeakPolarHBondContact O-CG 3.5Å; V633-L637 PolarHBondContact O-N 2.95Å; V634-L637 PolarHBondContact O-N 2.83Å; V634-L637 VanDerWaalsContact O-N 3.16Å; V635-L637 VanDerWaalsContact C-N 3.33Å; V635-L637 PolarHBondContact O-N 3.36Å; L637-L639 VanDerWaalsContact C-N 3.28Å; L637-L639 PolarHBondContact O-N 3.4Å; L637-T640 PolarHBondContact O-N 3.03Å; L637-T640 PolarHBondContact O-OG1 2.99Å; L637-G641 PolarHBondContact O-N 3.31Å; L637-G642 WeakPolarHBondContact CD2-O 3.34Å; L637-L643 HydrophobicContact CD1-CD2 4.43Å; L637-I646 HydrophobicContact CD1-CB 4.11Å; L637-I646 HydrophobicContact CD1-CD1 3.88Å; L637-I646 HydrophobicContact CD1-CG1 3.89Å; L637-I646 HydrophobicContact CD2-CB 4.21Å; L637-L649 HydrophobicContact CD2-CD1 3.93Å; L637-L649 HydrophobicContact CG-CD1 4.29Å
638	E	89.7	Confident	89.5	Confident	49 Å²	49	35.2 Å²	35.2	23%	0.229	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-36.3	176.4	-71.9	-172.2	138	0	0	111.4	A368 I370 G371 V634 V635 T640	A368-E638 WeakPolarHBondContact CA-OE2 3.48Å; A368-E638 HydrophobicContact CB-CB 4.05Å; A368-E638 WeakPolarHBondContact CB-OE2 3.46Å; I370-E638 WeakPolarHBondContact CB-OE1 3.43Å; I370-E638 WeakPolarHBondContact CD1-OE1 3.32Å; I370-E638 WeakPolarHBondContact CG1-OE1 3.27Å; I370-E638 PolarHBondContact N-OE1 3.41Å; I370-E638 VanDerWaalsContact N-OE1 3.1Å; I370-E638 PolarHBondContact N-OE2 2.85Å; G371-E638 PolarHBondContact N-OE2 3.29Å; V634-E638 PolarHBondContact O-N 3.4Å; V635-E638 PolarHBondContact O-N 3.23Å; E638-T640 VanDerWaalsContact C-N 3.35Å; E638-T640 PolarHBondContact O-N 3.33Å
639	L	84.8	Confident	89.6	Confident	9 Å²	9	35.2 Å²	35.2	5%	0.047	20%	0.2	C	C	.	.	H	α-helix	trans	-68.3	-29	176.7	-74.1	172.4	0	0	0	114.5	F366 I415 F417 Y418 V635 M636 L637	F366-L639 WeakPolarHBondContact O-CD2 3.36Å; I415-L639 HydrophobicContact CD1-CD2 3.23Å; I415-L639 HydrophobicContact CG1-CD2 3.59Å; F417-L639 HydrophobicContact CE2-CD1 3.85Å; F417-L639 HydrophobicContact CE2-CD2 3.89Å; F417-L639 HydrophobicContact CE2-CG 4.46Å; F417-L639 HydrophobicContact CZ-CD1 4.43Å; F417-L639 HydrophobicContact CZ-CD2 4.26Å; Y418-L639 WeakPolarHBondContact CD2-O 3.04Å; V635-L639 HydrophobicContact CG1-CD1 3.7Å; V635-L639 HydrophobicContact CG1-CG 4.3Å; V635-L639 WeakPolarHBondContact O-CB 3.39Å; V635-L639 WeakPolarHBondContact O-CD1 3.39Å; V635-L639 WeakPolarHBondContact O-CG 3.21Å; V635-L639 PolarHBondContact O-N 3.15Å; M636-L639 HydrophobicContact SD-CD1 4.09Å; L637-L639 VanDerWaalsContact C-N 3.28Å; L637-L639 PolarHBondContact O-N 3.4Å
640	T	82.8	Confident	89.8	Confident	7 Å²	7	37.9 Å²	37.9	4%	0.043	21%	0.212	C	C	.	.	H	α-helix	trans	-98	-13.8	-176.4	51.5	0	0	0	0	113.4	V419 M615 M636 L637 E638 G642	V419-T640 VanDerWaalsContact O-O 3.14Å; M615-T640 HydrophobicContact CE-CG2 3.78Å; M615-T640 HydrophobicContact SD-CG2 3.2Å; M615-T640 WeakPolarHBondContact SD-CG2 3.44Å; M636-T640 WeakPolarHBondContact O-CB 3.39Å; M636-T640 VanDerWaalsContact O-CG2 3.25Å; M636-T640 WeakPolarHBondContact O-CG2 3.48Å; M636-T640 PolarHBondContact O-N 3.46Å; M636-T640 VanDerWaalsContact O-N 3.16Å; M636-T640 PolarHBondContact O-OG1 2.83Å; L637-T640 PolarHBondContact O-N 3.03Å; L637-T640 PolarHBondContact O-OG1 2.99Å; E638-T640 VanDerWaalsContact C-N 3.35Å; E638-T640 PolarHBondContact O-N 3.33Å; T640-G642 PolarHBondContact O-N 3.44Å; T640-G642 VanDerWaalsContact O-N 3.09Å
641	G	79.5	Confident	89.9	Confident	52 Å²	52	35 Å²	35	54%	0.536	20%	0.197	S	C	.	.	S	Bend	trans	66.8	4.5	-176.8	0	0	0	0	0	114.6	L637	L637-G641 PolarHBondContact O-N 3.31Å
642	G	78	Confident	90	Very high	10 Å²	10	34.9 Å²	34.9	10%	0.103	20%	0.197	C	C	.	.			trans	-128.5	117	-170.5	0	0	0	0	0	113.8	L637 T640 N644	L637-G642 WeakPolarHBondContact CD2-O 3.34Å; T640-G642 PolarHBondContact O-N 3.44Å; T640-G642 VanDerWaalsContact O-N 3.09Å; G642-N644 PolarHBondContact O-N 3.46Å
643	L	85.5	Confident	90.1	Very high	134 Å²	134	34.6 Å²	34.6	70%	0.702	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-72.1	-14.5	177	-65.3	177.2	0	0	0	113.9	L637 Y645 I646	L637-L643 HydrophobicContact CD1-CD2 4.43Å; L643-Y645 PolarHBondContact O-N 3.29Å; L643-Y645 VanDerWaalsContact O-N 3.13Å; L643-I646 WeakPolarHBondContact O-CG2 3.49Å; L643-I646 PolarHBondContact O-N 3.49Å
644	N	85.9	Confident	90.1	Very high	95 Å²	95	37.6 Å²	37.6	51%	0.508	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-59.8	-27.8	-176.5	-68.6	-23.2	0	0	0	112.6	W425 G642 I646	W425-N644 PolarHBondContact NE1-O 2.85Å; G642-N644 PolarHBondContact O-N 3.46Å; N644-I646 PolarHBondContact O-N 2.97Å
645	Y	86.8	Confident	90.3	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-92.3	9.1	-172.8	-49.8	-61.6	0	0	0	114.7	Y421 A423 W425 L612 L643 I647 P648 L649	Y421-Y645 VanDerWaalsContact CB-OH 3.25Å; Y421-Y645 WeakPolarHBondContact CB-OH 3.33Å; Y421-Y645 HydrophobicContact CG-CE2 4.47Å; Y421-Y645 PolarHBondContact O-OH 3Å; A423-Y645 PolarHBondContact N-OH 2.92Å; A423-Y645 WeakPolarHBondContact O-CE1 3.47Å; A423-Y645 PolarHBondContact O-OH 3.3Å; W425-Y645 AromaticContact CD1-CD1 3.86Å; L612-Y645 HydrophobicContact CD1-CD1 3.42Å; L612-Y645 VanDerWaalsContact CD1-CD1 3.42Å; L612-Y645 HydrophobicContact CD1-CD2 4.43Å; L612-Y645 HydrophobicContact CD1-CE1 3.82Å; L612-Y645 HydrophobicContact CD1-CG 3.77Å; L612-Y645 HydrophobicContact CD2-CD1 3.91Å; L612-Y645 HydrophobicContact CD2-CE1 3.85Å; L612-Y645 HydrophobicContact CG-CD1 4.34Å; L612-Y645 HydrophobicContact CG-CE1 4.48Å; L643-Y645 PolarHBondContact O-N 3.29Å; L643-Y645 VanDerWaalsContact O-N 3.13Å; Y645-I647 PolarHBondContact O-N 2.91Å; Y645-P648 WeakPolarHBondContact O-CD 3.29Å; Y645-L649 WeakPolarHBondContact O-CB 3.34Å; Y645-L649 WeakPolarHBondContact O-CD1 3.42Å; Y645-L649 VanDerWaalsContact O-CG 3.28Å; Y645-L649 WeakPolarHBondContact O-CG 3.45Å; Y645-L649 PolarHBondContact O-N 3.49Å; Y645-L649 VanDerWaalsContact O-N 3.17Å
646	I	91.9	Very high	90.5	Very high	69 Å²	69	37.1 Å²	37.1	35%	0.354	21%	0.206	S	C	.	.	H	α-helix	trans	-58.7	-44.9	-176.5	-169.2	164.4	0	0	0	112.9	V633 L637 L643 N644 L649 M650	V633-I646 HydrophobicContact CG1-CG1 4.32Å; L637-I646 HydrophobicContact CD1-CB 4.11Å; L637-I646 HydrophobicContact CD1-CD1 3.88Å; L637-I646 HydrophobicContact CD1-CG1 3.89Å; L637-I646 HydrophobicContact CD2-CB 4.21Å; L643-I646 WeakPolarHBondContact O-CG2 3.49Å; L643-I646 PolarHBondContact O-N 3.49Å; N644-I646 PolarHBondContact O-N 2.97Å; I646-L649 PolarHBondContact O-N 3.46Å; I646-M650 HydrophobicContact CD1-SD 4.46Å; I646-M650 HydrophobicContact CG1-CG 4.28Å; I646-M650 HydrophobicContact CG1-SD 3.85Å; I646-M650 WeakPolarHBondContact O-CB 3.27Å; I646-M650 VanDerWaalsContact O-CG 3.24Å; I646-M650 WeakPolarHBondContact O-CG 3.32Å; I646-M650 PolarHBondContact O-N 3.34Å
647	I	93.6	Very high	90.6	Very high	82 Å²	82	37.9 Å²	37.9	42%	0.421	21%	0.209	S	C	.	.	H	α-helix	trans	-66.2	-52.1	-176.6	-63.1	175	0	0	0	111.6	W425 L430 Y645 L649 M650 I651	W425-I647 HydrophobicContact CH2-CB 4.11Å; W425-I647 HydrophobicContact CH2-CD1 4.34Å; W425-I647 HydrophobicContact CH2-CG2 4.04Å; W425-I647 HydrophobicContact CZ2-CB 3.93Å; W425-I647 HydrophobicContact CZ2-CD1 4.16Å; W425-I647 HydrophobicContact CZ2-CG2 4.39Å; L430-I647 HydrophobicContact CD2-CG2 4.17Å; Y645-I647 PolarHBondContact O-N 2.91Å; I647-L649 VanDerWaalsContact C-N 3.31Å; I647-L649 PolarHBondContact O-N 3.47Å; I647-M650 PolarHBondContact O-N 2.95Å; I647-I651 HydrophobicContact CG2-CD1 3.78Å; I647-I651 PolarHBondContact O-N 3.32Å
648	P	92.9	Very high	90.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-52.6	-45.7	173.5	-31.5	36.7	0	0	0	114	W425 F433 V616 Y645 I651 A652	W425-P648 HydrophobicContact CD2-CG 3.78Å; W425-P648 HydrophobicContact CE3-CG 4.09Å; W425-P648 HydrophobicContact CG-CG 4.12Å; W425-P648 HydrophobicContact CZ2-CG 4.29Å; W425-P648 HydrophobicContact CZ3-CG 4.48Å; F433-P648 HydrophobicContact CD2-CB 3.57Å; F433-P648 HydrophobicContact CD2-CG 3.93Å; F433-P648 HydrophobicContact CE2-CB 3.77Å; F433-P648 HydrophobicContact CE2-CG 3.81Å; F433-P648 HydrophobicContact CG-CB 4.16Å; F433-P648 HydrophobicContact CZ-CB 4.5Å; V616-P648 HydrophobicContact CG2-CB 4.16Å; Y645-P648 WeakPolarHBondContact O-CD 3.29Å; P648-I651 PolarHBondContact O-N 2.94Å; P648-A652 WeakPolarHBondContact O-CB 3.37Å; P648-A652 PolarHBondContact O-N 2.9Å
649	L	94.5	Very high	91.2	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-64.4	-44.3	-179.6	-71.9	169.5	0	0	0	111.7	V616 A619 V633 M636 L637 Y645 I646 I647 A653	V616-L649 HydrophobicContact CG2-CD2 4.19Å; A619-L649 HydrophobicContact CB-CD2 3.75Å; V633-L649 HydrophobicContact CG1-CB 4.15Å; V633-L649 HydrophobicContact CG2-CB 4.34Å; M636-L649 HydrophobicContact CB-CD1 3.9Å; M636-L649 HydrophobicContact CB-CD2 4.23Å; L637-L649 HydrophobicContact CD2-CD1 3.93Å; L637-L649 HydrophobicContact CG-CD1 4.29Å; Y645-L649 WeakPolarHBondContact O-CB 3.34Å; Y645-L649 WeakPolarHBondContact O-CD1 3.42Å; Y645-L649 VanDerWaalsContact O-CG 3.28Å; Y645-L649 WeakPolarHBondContact O-CG 3.45Å; Y645-L649 PolarHBondContact O-N 3.49Å; Y645-L649 VanDerWaalsContact O-N 3.17Å; I646-L649 PolarHBondContact O-N 3.46Å; I647-L649 VanDerWaalsContact C-N 3.31Å; I647-L649 PolarHBondContact O-N 3.47Å; L649-A653 WeakPolarHBondContact O-CB 3.46Å; L649-A653 PolarHBondContact O-N 2.83Å
650	M	95.3	Very high	91.6	Very high	84 Å²	84	43.4 Å²	43.4	41%	0.414	23%	0.229	S	C	.	.	H	α-helix	trans	-61.9	-44.7	177.6	-75.1	178.2	69.8	0	0	112.1	V633 I646 I647 A653 M654	V633-M650 HydrophobicContact CG1-CG 3.96Å; V633-M650 HydrophobicContact CG2-CG 4.14Å; I646-M650 HydrophobicContact CD1-SD 4.46Å; I646-M650 HydrophobicContact CG1-CG 4.28Å; I646-M650 HydrophobicContact CG1-SD 3.85Å; I646-M650 WeakPolarHBondContact O-CB 3.27Å; I646-M650 VanDerWaalsContact O-CG 3.24Å; I646-M650 WeakPolarHBondContact O-CG 3.32Å; I646-M650 PolarHBondContact O-N 3.34Å; I647-M650 PolarHBondContact O-N 2.95Å; M650-A653 PolarHBondContact O-N 3.43Å; M650-M654 WeakPolarHBondContact O-CB 3.34Å; M650-M654 WeakPolarHBondContact O-CG 3.23Å; M650-M654 PolarHBondContact O-N 2.79Å
651	I	95.5	Very high	91.9	Very high	51 Å²	51	45.9 Å²	45.9	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-67.1	-46.9	-178.5	-73.1	170.1	0	0	0	110.5	L430 A434 I647 P648 A653 M654 V655	L430-I651 HydrophobicContact CD2-CD1 3.28Å; L430-I651 HydrophobicContact CD2-CG1 4.48Å; A434-I651 HydrophobicContact CB-CG2 4.22Å; I647-I651 HydrophobicContact CG2-CD1 3.78Å; I647-I651 PolarHBondContact O-N 3.32Å; P648-I651 PolarHBondContact O-N 2.94Å; I651-A653 VanDerWaalsContact C-N 3.35Å; I651-A653 PolarHBondContact O-N 3.07Å; I651-M654 PolarHBondContact O-N 3.06Å; I651-V655 HydrophobicContact CG2-CG2 4.31Å; I651-V655 WeakPolarHBondContact O-CB 3.42Å; I651-V655 VanDerWaalsContact O-CG2 3.25Å; I651-V655 WeakPolarHBondContact O-CG2 3.21Å; I651-V655 PolarHBondContact O-N 3.41Å
652	A	96.6	Very high	92.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-42.8	177.7	0	0	0	0	0	112	G437 V616 A620 P648 S656	G437-A652 VanDerWaalsContact CA-O 3.28Å; G437-A652 WeakPolarHBondContact CA-O 3.48Å; V616-A652 HydrophobicContact CG1-CB 3.39Å; A620-A652 HydrophobicContact CB-CB 4.25Å; P648-A652 WeakPolarHBondContact O-CB 3.37Å; P648-A652 PolarHBondContact O-N 2.9Å; A652-S656 WeakPolarHBondContact O-CB 3.14Å; A652-S656 PolarHBondContact O-N 2.9Å
653	A	95.9	Very high	93.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65	-44.1	177.1	0	0	0	0	0	112.5	V633 L649 M650 I651 S656 K657	V633-A653 HydrophobicContact CG2-CB 4.12Å; L649-A653 WeakPolarHBondContact O-CB 3.46Å; L649-A653 PolarHBondContact O-N 2.83Å; M650-A653 PolarHBondContact O-N 3.43Å; I651-A653 VanDerWaalsContact C-N 3.35Å; I651-A653 PolarHBondContact O-N 3.07Å; A653-S656 PolarHBondContact O-N 3.31Å; A653-K657 WeakPolarHBondContact O-CB 3.41Å; A653-K657 PolarHBondContact O-N 3.07Å
654	M	95.8	Very high	93.1	Very high	73 Å²	73	50.7 Å²	50.7	36%	0.36	24%	0.239	S	C	.	.	H	α-helix	trans	-66.7	-46	178.5	-76.2	-161.4	-74.2	0	0	112.4	M650 I651 S656 K657 W658	M650-M654 WeakPolarHBondContact O-CB 3.34Å; M650-M654 WeakPolarHBondContact O-CG 3.23Å; M650-M654 PolarHBondContact O-N 2.79Å; I651-M654 PolarHBondContact O-N 3.06Å; M654-S656 VanDerWaalsContact C-N 3.29Å; M654-S656 PolarHBondContact O-N 3.3Å; M654-K657 PolarHBondContact O-N 3.14Å; M654-W658 PolarHBondContact O-N 2.85Å
655	V	97.1	Very high	92.5	Very high	30 Å²	30	51.5 Å²	51.5	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-40.8	177.5	174.7	0	0	0	0	110.5	A434 L438 I651 T659	A434-V655 HydrophobicContact CB-CG2 4.5Å; L438-V655 HydrophobicContact CB-CG1 4.28Å; I651-V655 HydrophobicContact CG2-CG2 4.31Å; I651-V655 WeakPolarHBondContact O-CB 3.42Å; I651-V655 VanDerWaalsContact O-CG2 3.25Å; I651-V655 WeakPolarHBondContact O-CG2 3.21Å; I651-V655 PolarHBondContact O-N 3.41Å; V655-T659 VanDerWaalsContact O-CB 3.28Å; V655-T659 WeakPolarHBondContact O-CB 3.36Å; V655-T659 PolarHBondContact O-N 3.24Å; V655-T659 PolarHBondContact O-OG1 3.1Å
656	S	96.9	Very high	92.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-45.1	176	-178.2	0	0	0	0	112.7	G437 G441 A620 G624 R627 A652 A653 M654 G660	G437-S656 WeakPolarHBondContact O-CA 3.33Å; G437-S656 VanDerWaalsContact O-CB 3.23Å; G437-S656 WeakPolarHBondContact O-CB 3.21Å; G441-S656 WeakPolarHBondContact CA-O 3.43Å; G441-S656 WeakPolarHBondContact CA-OG 3.24Å; G441-S656 PolarHBondContact N-OG 2.9Å; G441-S656 VanDerWaalsContact N-OG 3.15Å; A620-S656 VanDerWaalsContact O-CB 3.27Å; A620-S656 WeakPolarHBondContact O-CB 3.27Å; A620-S656 PolarHBondContact O-OG 3.24Å; G624-S656 WeakPolarHBondContact CA-OG 3.32Å; G624-S656 PolarHBondContact N-OG 3.44Å; R627-S656 PolarHBondContact NH1-O 3.42Å; A652-S656 WeakPolarHBondContact O-CB 3.14Å; A652-S656 PolarHBondContact O-N 2.9Å; A653-S656 PolarHBondContact O-N 3.31Å; M654-S656 VanDerWaalsContact C-N 3.29Å; M654-S656 PolarHBondContact O-N 3.3Å; S656-G660 PolarHBondContact O-N 2.92Å
657	K	94.6	Very high	92	Very high	30 Å²	30	49 Å²	49	13%	0.13	24%	0.235	C	C	.	.	H	α-helix	trans	-59	-55.9	175.3	176	166	-177.5	152.2	0	111.3	R627 T629 A653 M654 T659 G660 D661 Y684	R627-K657 PolarHBondContact NH1-O 3.06Å; R627-K657 VanDerWaalsContact NH1-O 3.15Å; R627-K657 PolarHBondContact O-NZ 3.25Å; R627-K657 VanDerWaalsContact O-NZ 3.14Å; T629-K657 HydrophobicContact CG2-CB 4.18Å; T629-K657 HydrophobicContact CG2-CD 3.39Å; T629-K657 HydrophobicContact CG2-CG 4.41Å; A653-K657 WeakPolarHBondContact O-CB 3.41Å; A653-K657 PolarHBondContact O-N 3.07Å; M654-K657 PolarHBondContact O-N 3.14Å; K657-T659 VanDerWaalsContact C-N 3.31Å; K657-T659 PolarHBondContact O-N 3.3Å; K657-G660 PolarHBondContact O-N 3.38Å; K657-D661 WeakPolarHBondContact CE-OD2 3.45Å; K657-D661 WeakPolarHBondContact CG-OD2 3.02Å; K657-D661 WeakPolarHBondContact O-CB 3.28Å; K657-D661 PolarHBondContact O-N 2.88Å; K657-Y684 PolarHBondContact NZ-OH 3.2Å
658	W	95	Very high	91.9	Very high	166 Å²	166	45.2 Å²	45.2	63%	0.629	22%	0.215	S	C	*	.	H	α-helix	trans	-56.1	-45.6	-179.6	-67.5	-20.7	0	0	0	112.4	M654 G660 D661 R662	M654-W658 PolarHBondContact O-N 2.85Å; W658-G660 VanDerWaalsContact C-N 3.31Å; W658-G660 PolarHBondContact O-N 3.47Å; W658-D661 PolarHBondContact O-N 2.88Å; W658-R662 WeakPolarHBondContact O-CB 3.35Å; W658-R662 PolarHBondContact O-N 3.33Å; W658-R662 VanDerWaalsContact O-N 3.09Å
659	T	95.9	Very high	91.7	Very high	23 Å²	23	45.2 Å²	45.2	14%	0.141	22%	0.215	C	C	.	.	H	α-helix	trans	-56.8	-47.9	-179.1	-62.1	0	0	0	0	110.8	L438 I442 V655 K657 L663	L438-T659 HydrophobicContact CD1-CG2 3.74Å; I442-T659 HydrophobicContact CG1-CG2 4Å; V655-T659 VanDerWaalsContact O-CB 3.28Å; V655-T659 WeakPolarHBondContact O-CB 3.36Å; V655-T659 PolarHBondContact O-N 3.24Å; V655-T659 PolarHBondContact O-OG1 3.1Å; K657-T659 VanDerWaalsContact C-N 3.31Å; K657-T659 PolarHBondContact O-N 3.3Å; T659-L663 HydrophobicContact CG2-CD1 4.21Å; T659-L663 WeakPolarHBondContact O-CG 2.91Å; T659-L663 PolarHBondContact O-N 3.4Å
660	G	93.3	Very high	91.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-89.9	-20.6	-175.7	0	0	0	0	0	114.9	T445 R627 S656 K657 W658 R662 L663 T664	T445-G660 WeakPolarHBondContact OG1-CA 3.25Å; R627-G660 PolarHBondContact NH2-O 3.33Å; S656-G660 PolarHBondContact O-N 2.92Å; K657-G660 PolarHBondContact O-N 3.38Å; W658-G660 VanDerWaalsContact C-N 3.31Å; W658-G660 PolarHBondContact O-N 3.47Å; G660-R662 PolarHBondContact O-N 2.81Å; G660-L663 PolarHBondContact O-N 3.45Å; G660-L663 VanDerWaalsContact O-N 3.15Å; G660-T664 PolarHBondContact O-N 3.27Å; G660-T664 VanDerWaalsContact O-O 3.08Å; G660-T664 PolarHBondContact O-OG1 2.94Å
661	D	90.3	Very high	91	Very high	59 Å²	59	43.2 Å²	43.2	32%	0.316	20%	0.204	S	C	.	.	H	α-helix	trans	-61.9	-33.5	166.3	-75.4	-14.7	0	0	0	109.8	R627 K657 W658 L663	R627-D661 VanDerWaalsContact CD-OD1 3.22Å; R627-D661 WeakPolarHBondContact CD-OD1 3.47Å; R627-D661 IonicContact CZ-OD1 2.64Å; R627-D661 IonicContact NE-OD1 3.72Å; R627-D661 PolarHBondContact NE-OD1 3.41Å; K657-D661 WeakPolarHBondContact CE-OD2 3.45Å; K657-D661 WeakPolarHBondContact CG-OD2 3.02Å; K657-D661 WeakPolarHBondContact O-CB 3.28Å; K657-D661 PolarHBondContact O-N 2.88Å; W658-D661 PolarHBondContact O-N 2.88Å; D661-L663 VanDerWaalsContact C-N 3.33Å; D661-L663 PolarHBondContact O-N 3.34Å
662	R	91.4	Very high	90.7	Very high	204 Å²	204	41.8 Å²	41.8	77%	0.77	20%	0.197	S	C	*	.	H	α-helix	trans	-68.7	-29.8	174.5	-173.7	62.3	-175.1	91.4	-6.6	113.6	W658 G660	W658-R662 WeakPolarHBondContact O-CB 3.35Å; W658-R662 PolarHBondContact O-N 3.33Å; W658-R662 VanDerWaalsContact O-N 3.09Å; G660-R662 PolarHBondContact O-N 2.81Å
663	L	90.8	Very high	90.4	Very high	75 Å²	75	42 Å²	42	39%	0.393	20%	0.197	S	C	.	.	H	α-helix	trans	-98.3	-30.1	-173.9	-66	170.1	0	0	0	113.5	T445 R449 T659 G660 D661	T445-L663 HydrophobicContact CG2-CB 3.4Å; T445-L663 VanDerWaalsContact CG2-CB 3.4Å; T445-L663 HydrophobicContact CG2-CD1 3.94Å; T445-L663 HydrophobicContact CG2-CG 4.3Å; R449-L663 PolarHBondContact NH2-O 3.43Å; T659-L663 HydrophobicContact CG2-CD1 4.21Å; T659-L663 WeakPolarHBondContact O-CG 2.91Å; T659-L663 PolarHBondContact O-N 3.4Å; G660-L663 PolarHBondContact O-N 3.45Å; G660-L663 VanDerWaalsContact O-N 3.15Å; D661-L663 VanDerWaalsContact C-N 3.33Å; D661-L663 PolarHBondContact O-N 3.34Å
664	T	84.5	Confident	89.9	Confident	18 Å²	18	46 Å²	46	11%	0.11	21%	0.213	C	C	.	.	S	Bend	trans	-140.8	141.2	-175.8	44.1	0	0	0	0	110.9	T445 R449 R627 G660 G666	T445-T664 HydrophobicContact CG2-CG2 3.44Å; T445-T664 VanDerWaalsContact CG2-CG2 3.44Å; R449-T664 HydrophobicContact CG-CG2 3.88Å; R627-T664 PolarHBondContact NH2-OG1 2.96Å; G660-T664 PolarHBondContact O-N 3.27Å; G660-T664 VanDerWaalsContact O-O 3.08Å; G660-T664 PolarHBondContact O-OG1 2.94Å; T664-G666 PolarHBondContact O-N 3.44Å
665	N	74.3	Confident	89.4	Confident	113 Å²	113	43.8 Å²	43.8	60%	0.604	20%	0.202	S	C	*	.	S	Bend	trans	-88.9	87.6	-176.8	-66.6	-17.3	0	0	0	111.4	R674	N665-R674 PolarHBondContact O-NH1 3.19Å
666	G	79.1	Confident	88.8	Confident	15 Å²	15	44.7 Å²	44.7	16%	0.155	21%	0.206	C	C	.	.	S	Bend	trans	110.8	179.2	170.5	0	0	0	0	0	114.8	T664	T664-G666 PolarHBondContact O-N 3.44Å
667	S	88.6	Confident	88.2	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.021	23%	0.232	C	C	.	.			trans	-85	162.7	177.2	76.1	0	0	0	0	112.1	T626 Y669 E670 E671	T626-S667 WeakPolarHBondContact O-CB 3.42Å; S667-Y669 PolarHBondContact O-N 3.42Å; S667-Y669 PolarHBondContact OG-N 2.88Å; S667-E670 PolarHBondContact O-N 2.77Å; S667-E670 PolarHBondContact OG-N 3.3Å; S667-E671 PolarHBondContact O-N 3.42Å
668	I	90.9	Very high	87.7	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-54.1	-37.2	173.9	-171	59.2	0	0	0	112.7	F447 N448 N451 F557 L565 V625 H672	F447-I668 HydrophobicContact CE1-CD1 4.4Å; F447-I668 HydrophobicContact CE1-CG1 4.45Å; N448-I668 HydrophobicContact CB-CD1 4.47Å; N451-I668 HydrophobicContact CB-CD1 4.38Å; F557-I668 HydrophobicContact CE1-CD1 3.97Å; F557-I668 HydrophobicContact CE1-CG1 3.63Å; F557-I668 HydrophobicContact CZ-CG1 4.27Å; L565-I668 HydrophobicContact CD2-CB 4.35Å; L565-I668 HydrophobicContact CD2-CG1 3.88Å; L565-I668 HydrophobicContact CD2-CG2 3.8Å; V625-I668 HydrophobicContact CG1-CB 4.41Å; V625-I668 HydrophobicContact CG1-CG2 4.05Å; V625-I668 PolarHBondContact O-N 3.24Å; I668-H672 PolarHBondContact O-CD2 3.36Å; I668-H672 VanDerWaalsContact O-CD2 3.29Å; I668-H672 PolarHBondContact O-N 3.01Å; I668-H672 VanDerWaalsContact O-N 3.08Å
669	Y	90.7	Very high	86.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-71.3	-41.4	-179.4	-60.5	-51.6	0	0	0	111.4	I281 P282 F566 T626 M628 S667 H672 I673	I281-Y669 HydrophobicContact CB-CD1 4.32Å; I281-Y669 HydrophobicContact CB-CE1 4.2Å; I281-Y669 HydrophobicContact CD1-CE1 4.34Å; I281-Y669 HydrophobicContact CD1-CE2 4.39Å; I281-Y669 HydrophobicContact CG2-CD1 4.33Å; I281-Y669 HydrophobicContact CG2-CD2 4.12Å; I281-Y669 HydrophobicContact CG2-CE1 4.44Å; I281-Y669 HydrophobicContact CG2-CE2 4.24Å; I281-Y669 HydrophobicContact CG2-CG 4.16Å; P282-Y669 HydrophobicContact CG-CD1 3.81Å; P282-Y669 HydrophobicContact CG-CG 4.47Å; F566-Y669 WeakPolarHBondContact CE2-OH 3.18Å; F566-Y669 HydrophobicContact CZ-CE2 4.25Å; F566-Y669 WeakPolarHBondContact CZ-OH 3.45Å; T626-Y669 HydrophobicContact CG2-CE2 3.91Å; M628-Y669 HydrophobicContact CE-CD2 4.38Å; M628-Y669 HydrophobicContact CE-CE2 4.06Å; S667-Y669 PolarHBondContact O-N 3.42Å; S667-Y669 PolarHBondContact OG-N 2.88Å; Y669-H672 PolarHBondContact O-N 3.43Å; Y669-I673 VanDerWaalsContact O-CG1 3.28Å; Y669-I673 WeakPolarHBondContact O-CG1 3.23Å; Y669-I673 PolarHBondContact O-N 3.24Å
670	E	87.1	Confident	86	Confident	12 Å²	12	43.7 Å²	43.7	6%	0.056	21%	0.209	C	C	.	.	H	α-helix	trans	-65.6	-39.9	176.1	-69.6	-177.2	172.9	0	0	112.3	K285 S667 H672 I673 R674	K285-E670 IonicContact NZ-OE1 3.99Å; K285-E670 PolarHBondContact NZ-OE1 2.98Å; S667-E670 PolarHBondContact O-N 2.77Å; S667-E670 PolarHBondContact OG-N 3.3Å; E670-H672 VanDerWaalsContact C-N 3.32Å; E670-H672 PolarHBondContact O-N 3.49Å; E670-I673 WeakPolarHBondContact O-CB 3.47Å; E670-I673 PolarHBondContact O-N 3.32Å; E670-R674 WeakPolarHBondContact O-CG 3.29Å; E670-R674 PolarHBondContact O-N 3.09Å
671	E	87.7	Confident	85.2	Confident	34 Å²	34	43.9 Å²	43.9	16%	0.159	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-37.9	174.9	-75.1	-58.8	121.6	0	0	112.3	L452 S667 R674 L675	L452-E671 HydrophobicContact CD1-CB 4.39Å; L452-E671 HydrophobicContact CD2-CG 4.48Å; L452-E671 VanDerWaalsContact CD2-OE2 3.23Å; L452-E671 WeakPolarHBondContact CD2-OE2 3.07Å; S667-E671 PolarHBondContact O-N 3.42Å; E671-R674 PolarHBondContact O-N 3Å; E671-R674 IonicContact OE1-CZ 3.89Å; E671-R674 IonicContact OE1-NH1 2.74Å; E671-R674 PolarHBondContact OE1-NH1 3.45Å; E671-L675 VanDerWaalsContact O-CB 3.27Å; E671-L675 WeakPolarHBondContact O-CB 3.3Å; E671-L675 PolarHBondContact O-N 3.09Å
672	H	89	Confident	84.2	Confident	22 Å²	22	41.2 Å²	41.2	10%	0.102	20%	0.197	C	C	.	.	H	α-helix	trans	-67.2	-38.5	173.7	-93.1	-85.6	0	0	0	112.7	P282 N451 F557 I668 Y669 E670 L675 N676	P282-H672 HydrophobicContact CG-CB 4.25Å; N451-H672 PolarHBondContact OD1-NE2 3.42Å; F557-H672 AromaticContact CE1-CD2 3.77Å; F557-H672 AromaticContact CE1-NE2 3.31Å; F557-H672 VanDerWaalsContact CE1-NE2 3.31Å; F557-H672 WeakPolarHBondContact CE1-NE2 3.05Å; I668-H672 PolarHBondContact O-CD2 3.36Å; I668-H672 VanDerWaalsContact O-CD2 3.29Å; I668-H672 PolarHBondContact O-N 3.01Å; I668-H672 VanDerWaalsContact O-N 3.08Å; Y669-H672 PolarHBondContact O-N 3.43Å; E670-H672 VanDerWaalsContact C-N 3.32Å; E670-H672 PolarHBondContact O-N 3.49Å; H672-L675 PolarHBondContact O-N 3.29Å; H672-N676 WeakPolarHBondContact O-CB 3.37Å; H672-N676 PolarHBondContact O-N 3.08Å; H672-N676 PolarHBondContact O-ND2 3.4Å
673	I	89	Confident	82.8	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-47.5	172.9	-69	172.2	0	0	0	110.2	P282 K285 T286 Y669 E670 N676 D677 Y678 Y680	P282-I673 HydrophobicContact CB-CD1 4.44Å; P282-I673 HydrophobicContact CB-CG1 3.76Å; K285-I673 HydrophobicContact CB-CD1 4.18Å; K285-I673 HydrophobicContact CD-CD1 4.08Å; K285-I673 HydrophobicContact CG-CD1 4.14Å; T286-I673 HydrophobicContact CG2-CD1 4.03Å; T286-I673 HydrophobicContact CG2-CG1 3.97Å; T286-I673 HydrophobicContact CG2-CG2 3.81Å; Y669-I673 VanDerWaalsContact O-CG1 3.28Å; Y669-I673 WeakPolarHBondContact O-CG1 3.23Å; Y669-I673 PolarHBondContact O-N 3.24Å; E670-I673 WeakPolarHBondContact O-CB 3.47Å; E670-I673 PolarHBondContact O-N 3.32Å; I673-N676 PolarHBondContact O-N 3.36Å; I673-D677 PolarHBondContact O-N 2.79Å; I673-Y678 PolarHBondContact O-N 2.93Å; I673-Y680 HydrophobicContact CD1-CD1 4.15Å; I673-Y680 HydrophobicContact CD1-CD2 4.41Å; I673-Y680 HydrophobicContact CD1-CE1 4.36Å; I673-Y680 HydrophobicContact CD1-CG 4.18Å; I673-Y680 HydrophobicContact CG2-CD1 4.12Å; I673-Y680 HydrophobicContact CG2-CG 3.88Å
674	R	85.1	Confident	81.2	Confident	85 Å²	85	37.8 Å²	37.8	32%	0.321	19%	0.19	S	C	.	.	H	α-helix	trans	-63.3	-42	177.2	-71.2	176.2	-174.3	160.9	2.4	111.8	N665 E670 E671 N676 D677 D685	N665-R674 PolarHBondContact O-NH1 3.19Å; E670-R674 WeakPolarHBondContact O-CG 3.29Å; E670-R674 PolarHBondContact O-N 3.09Å; E671-R674 PolarHBondContact O-N 3Å; E671-R674 IonicContact OE1-CZ 3.89Å; E671-R674 IonicContact OE1-NH1 2.74Å; E671-R674 PolarHBondContact OE1-NH1 3.45Å; R674-N676 VanDerWaalsContact C-N 3.28Å; R674-N676 PolarHBondContact O-N 2.95Å; R674-D677 PolarHBondContact O-N 3.4Å; R674-D685 IonicContact NH2-OD1 3.72Å; R674-D685 PolarHBondContact NH2-OD1 3.01Å
675	L	86.3	Confident	80	Confident	27 Å²	27	37.5 Å²	37.5	14%	0.141	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-35.5	178.2	-175.8	70	0	0	0	111.7	L452 C455 R456 K459 E671 H672 D677	L452-L675 HydrophobicContact CD1-CB 4.26Å; L452-L675 HydrophobicContact CD1-CD1 4.23Å; L452-L675 HydrophobicContact CD1-CD2 4.17Å; L452-L675 HydrophobicContact CD1-CG 4.44Å; C455-L675 HydrophobicContact CB-CD2 3.55Å; R456-L675 HydrophobicContact CG-CD1 3.51Å; K459-L675 HydrophobicContact CD-CD1 4.45Å; K459-L675 HydrophobicContact CD-CG 4.37Å; K459-L675 PolarHBondContact NZ-O 3.49Å; E671-L675 VanDerWaalsContact O-CB 3.27Å; E671-L675 WeakPolarHBondContact O-CB 3.3Å; E671-L675 PolarHBondContact O-N 3.09Å; H672-L675 PolarHBondContact O-N 3.29Å; L675-D677 VanDerWaalsContact C-N 3.29Å
676	N	85.2	Confident	79.1	Confident	49 Å²	49	39.8 Å²	39.8	26%	0.262	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	5.3	178.1	-70.7	-23.5	0	0	0	114.1	K459 H672 I673 R674 Y678	K459-N676 PolarHBondContact NZ-OD1 3.11Å; H672-N676 WeakPolarHBondContact O-CB 3.37Å; H672-N676 PolarHBondContact O-N 3.08Å; H672-N676 PolarHBondContact O-ND2 3.4Å; I673-N676 PolarHBondContact O-N 3.36Å; R674-N676 VanDerWaalsContact C-N 3.28Å; R674-N676 PolarHBondContact O-N 2.95Å; N676-Y678 HydrophobicContact CB-CD2 3.8Å; N676-Y678 HydrophobicContact CB-CE1 4.35Å; N676-Y678 HydrophobicContact CB-CE2 3.6Å; N676-Y678 HydrophobicContact CB-CG 4.26Å; N676-Y678 PolarHBondContact O-N 2.94Å
677	D	83.8	Confident	78.2	Confident	100 Å²	100	40 Å²	40	54%	0.535	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	26.6	178.2	-61.9	-61.4	0	0	0	114	I673 R674 L675 R847	I673-D677 PolarHBondContact O-N 2.79Å; R674-D677 PolarHBondContact O-N 3.4Å; L675-D677 VanDerWaalsContact C-N 3.29Å; D677-R847 IonicContact OD1-CZ 2.78Å; D677-R847 IonicContact OD1-NH1 3.79Å; D677-R847 PolarHBondContact OD1-NH1 2.6Å; D677-R847 IonicContact OD1-NH2 2.73Å; D677-R847 PolarHBondContact OD1-NH2 2.85Å
678	Y	83.7	Confident	76.9	Confident	54 Å²	54	44.9 Å²	44.9	21%	0.212	22%	0.219	C	C	.	.			trans	-75.3	138.5	177.7	-63.9	-38.8	0	0	0	111.2	E283 T286 I293 I673 N676 Y680	E283-Y678 HydrophobicContact CG-CE2 3.98Å; T286-Y678 HydrophobicContact CG2-CD2 3.9Å; T286-Y678 HydrophobicContact CG2-CG 4.11Å; I293-Y678 HydrophobicContact CD1-CE1 4.45Å; I673-Y678 PolarHBondContact O-N 2.93Å; N676-Y678 HydrophobicContact CB-CD2 3.8Å; N676-Y678 HydrophobicContact CB-CE1 4.35Å; N676-Y678 HydrophobicContact CB-CE2 3.6Å; N676-Y678 HydrophobicContact CB-CG 4.26Å; N676-Y678 PolarHBondContact O-N 2.94Å; Y678-Y680 VanDerWaalsContact C-N 3.31Å; Y678-Y680 PolarHBondContact O-N 3.44Å
679	P	78	Confident	75.7	Confident	21 Å²	21	51.3 Å²	51.3	14%	0.136	25%	0.253	C	S	.	.			trans	-78.3	80.4	-177.5	31.7	-34.7	0	0	0	111.6	F291 K839 L843	F291-P679 HydrophobicContact CD1-CG 4.26Å; F291-P679 HydrophobicContact CD2-CG 3.36Å; F291-P679 HydrophobicContact CE1-CG 4.21Å; F291-P679 HydrophobicContact CE2-CG 3.29Å; F291-P679 HydrophobicContact CG-CG 3.82Å; F291-P679 HydrophobicContact CZ-CG 3.7Å; P679-K839 PolarHBondContact O-NZ 3.48Å; P679-L843 HydrophobicContact CB-CD1 3.66Å
680	Y	78.3	Confident	74.8	Confident	22 Å²	22	57 Å²	57	9%	0.086	29%	0.288	C	S	.	.			trans	-117.1	130.8	-179.1	-177.2	-101.6	0	0	0	110.6	K285 T286 Y382 I673 Y678 L843	K285-Y680 HydrophobicContact CD-CE2 4.45Å; K285-Y680 VanDerWaalsContact CE-CZ 3.45Å; K285-Y680 WeakPolarHBondContact CE-OH 3.2Å; K285-Y680 HydrophobicContact CG-CE2 3.59Å; T286-Y680 HydrophobicContact CG2-CD2 4.35Å; Y382-Y680 HydrophobicContact CE2-CD2 4.49Å; Y382-Y680 AromaticContact CE2-CE2 3.55Å; Y382-Y680 HydrophobicContact CE2-CE2 3.55Å; Y382-Y680 AromaticContact CE2-CZ 3.87Å; Y382-Y680 AromaticContact CZ-CE2 3.56Å; Y382-Y680 AromaticContact CZ-CZ 3.4Å; Y382-Y680 VanDerWaalsContact OH-CE1 3.3Å; Y382-Y680 WeakPolarHBondContact OH-CE1 3.08Å; Y382-Y680 WeakPolarHBondContact OH-CE2 3.38Å; Y382-Y680 PolarHBondContact OH-OH 3.38Å; I673-Y680 HydrophobicContact CD1-CD1 4.15Å; I673-Y680 HydrophobicContact CD1-CD2 4.41Å; I673-Y680 HydrophobicContact CD1-CE1 4.36Å; I673-Y680 HydrophobicContact CD1-CG 4.18Å; I673-Y680 HydrophobicContact CG2-CD1 4.12Å; I673-Y680 HydrophobicContact CG2-CG 3.88Å; Y678-Y680 VanDerWaalsContact C-N 3.31Å; Y678-Y680 PolarHBondContact O-N 3.44Å; Y680-L843 WeakPolarHBondContact O-CD2 3.12Å
681	L	75.1	Confident	74.6	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.021	29%	0.291	C	S	.	.			trans	-107.8	93.6	-176.1	-165.1	79.7	0	0	0	108.6	Y382 L814 F817 K818 I842 L843	Y382-L681 PolarHBondContact OH-O 2.82Å; L681-L814 HydrophobicContact CD1-CD2 3.93Å; L681-L814 HydrophobicContact CD2-CD2 3.82Å; L681-L814 HydrophobicContact CG-CD2 4.23Å; L681-F817 HydrophobicContact CD2-CB 4.2Å; L681-K818 HydrophobicContact CD2-CG 3.9Å; L681-I842 HydrophobicContact CD1-CG2 3.79Å; L681-L843 HydrophobicContact CB-CD2 4.49Å; L681-L843 HydrophobicContact CD1-CD2 3.7Å; L681-L843 HydrophobicContact CD1-CG 4.12Å
682	G	69.1	Low	74.6	Confident	3 Å²	3	57.8 Å²	57.8	3%	0.031	30%	0.295	C	S	.	.			trans	-66.1	159	-170.9	0	0	0	0	0	113.5	Y684 D685 K818	G682-Y684 PolarHBondContact O-N 2.93Å; G682-D685 PolarHBondContact N-OD2 2.91Å; G682-D685 PolarHBondContact O-N 3.4Å; G682-K818 WeakPolarHBondContact O-CE 3.16Å; G682-K818 PolarHBondContact O-NZ 3.49Å
683	S	62.8	Low	74.6	Confident	69 Å²	69	56.8 Å²	56.8	48%	0.483	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-34.4	175.2	-60.4	0	0	0	0	111.7	K818	S683-K818 PolarHBondContact O-NZ 3.45Å
684	Y	57.2	Low	74.5	Confident	138 Å²	138	56.9 Å²	56.9	54%	0.541	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	11.5	-175.6	-53.7	-73	0	0	0	115.1	K657 G682 E686	K657-Y684 PolarHBondContact NZ-OH 3.2Å; G682-Y684 PolarHBondContact O-N 2.93Å; Y684-E686 PolarHBondContact O-N 2.92Å
685	D	59.7	Low	74.6	Confident	13 Å²	13	55.9 Å²	55.9	7%	0.07	29%	0.293	C	S	.	.			trans	-76.2	76.9	170.4	-70.8	-42.2	0	0	0	108.9	R674 G682 L687 K850	R674-D685 IonicContact NH2-OD1 3.72Å; R674-D685 PolarHBondContact NH2-OD1 3.01Å; G682-D685 PolarHBondContact N-OD2 2.91Å; G682-D685 PolarHBondContact O-N 3.4Å; D685-L687 PolarHBondContact O-N 3.47Å; D685-K850 IonicContact OD1-NZ 3.74Å; D685-K850 PolarHBondContact OD1-NZ 3.01Å
686	E	55.8	Low	74.5	Confident	161 Å²	161	54.9 Å²	54.9	75%	0.752	29%	0.288	S	S	*	.			trans	-64.8	115	165.3	-68.6	175.7	-176.1	0	0	106.9	Y684	Y684-E686 PolarHBondContact O-N 2.92Å
687	L	59.4	Low	74.6	Confident	18 Å²	18	52.8 Å²	52.8	9%	0.094	28%	0.276	C	S	.	.			trans	-84.8	147.1	162.7	-97	70.6	0	0	0	107.5	D685 N689 L691 M810 L814 V846	D685-L687 PolarHBondContact O-N 3.47Å; L687-N689 PolarHBondContact O-N 3.37Å; L687-L691 HydrophobicContact CB-CD1 4.22Å; L687-L691 HydrophobicContact CD2-CD1 3.99Å; L687-L691 HydrophobicContact CG-CD1 4.22Å; L687-M810 HydrophobicContact CB-CG 4.49Å; L687-M810 HydrophobicContact CD2-CB 4.24Å; L687-M810 HydrophobicContact CD2-CG 3.32Å; L687-M810 HydrophobicContact CG-CG 4.49Å; L687-L814 HydrophobicContact CB-CD1 4.09Å; L687-L814 HydrophobicContact CD1-CD1 3.77Å; L687-L814 HydrophobicContact CD2-CD1 4.35Å; L687-L814 HydrophobicContact CG-CD1 4.28Å; L687-V846 HydrophobicContact CD1-CB 4.48Å; L687-V846 HydrophobicContact CD1-CG2 3.28Å; L687-V846 HydrophobicContact CD2-CG2 4.45Å; L687-V846 HydrophobicContact CG-CG2 4.18Å
688	D	61.2	Low	74.7	Confident	107 Å²	107	52.3 Å²	52.3	57%	0.572	27%	0.271	S	S	*	.			trans	-50.4	127.6	174.7	-67.9	-32.8	0	0	0	110.2	T690 L691	D688-T690 PolarHBondContact O-N 2.93Å; D688-L691 HydrophobicContact CB-CD1 4.22Å; D688-L691 PolarHBondContact O-N 2.89Å
689	N	64.6	Low	74.8	Confident	136 Å²	136	50.6 Å²	50.6	73%	0.727	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-7.7	-175.5	-68	-0.5	0	0	0	113.9	L687	L687-N689 PolarHBondContact O-N 3.37Å
690	T	71.9	Confident	74.8	Confident	120 Å²	120	54.8 Å²	54.8	74%	0.736	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-12.6	179.9	56.7	0	0	0	0	113.8	D688	D688-T690 PolarHBondContact O-N 2.93Å
691	L	83	Confident	74.5	Confident	22 Å²	22	60.5 Å²	60.5	12%	0.115	30%	0.301	C	S	.	.			trans	-79.1	135.3	-175.6	-71.8	161.5	0	0	0	111.9	L687 D688 D695 M810 H845	L687-L691 HydrophobicContact CB-CD1 4.22Å; L687-L691 HydrophobicContact CD2-CD1 3.99Å; L687-L691 HydrophobicContact CG-CD1 4.22Å; D688-L691 HydrophobicContact CB-CD1 4.22Å; D688-L691 PolarHBondContact O-N 2.89Å; L691-D695 HydrophobicContact CD2-CB 4.36Å; L691-M810 HydrophobicContact CB-CB 3.98Å; L691-M810 WeakPolarHBondContact O-CB 3.25Å; L691-M810 PolarHBondContact O-N 3.13Å; L691-H845 WeakPolarHBondContact CD1-NE2 3.26Å; L691-H845 WeakPolarHBondContact CD2-NE2 3.29Å
692	V	88.9	Confident	74.1	Confident	40 Å²	40	67.6 Å²	67.6	24%	0.242	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-112.4	162.4	174.5	-65.1	0	0	0	0	112.4	A694 D695 T808 M810	V692-A694 HydrophobicContact CG2-CB 4.27Å; V692-A694 PolarHBondContact O-N 3.4Å; V692-D695 VanDerWaalsContact CG2-OD2 3.25Å; V692-D695 WeakPolarHBondContact CG2-OD2 3.45Å; V692-D695 PolarHBondContact N-OD2 2.69Å; V692-D695 WeakPolarHBondContact O-CB 3.49Å; V692-D695 PolarHBondContact O-N 2.02Å; V692-T808 WeakPolarHBondContact CA-O 3.16Å; V692-M810 VanDerWaalsContact C-CE 3.41Å; V692-M810 WeakPolarHBondContact O-CE 3.43Å
693	A	88.7	Confident	74	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-50	-41.9	178.7	0	0	0	0	0	113.1	D695 V696 M697 V804 T808 M810 V813 V827 L837	A693-D695 PolarHBondContact O-N 3.47Å; A693-V696 PolarHBondContact O-N 3.35Å; A693-M697 PolarHBondContact O-N 3.48Å; A693-M697 VanDerWaalsContact O-N 3.11Å; A693-V804 HydrophobicContact CB-CG2 4.28Å; A693-T808 PolarHBondContact N-O 3.23Å; A693-M810 VanDerWaalsContact CA-CE 3.48Å; A693-V813 HydrophobicContact CB-CG2 4.21Å; A693-V827 HydrophobicContact CB-CG1 4.36Å; A693-V827 HydrophobicContact CB-CG2 4.21Å; A693-L837 HydrophobicContact CB-CD1 4.09Å
694	A	87.7	Confident	74.3	Confident	6 Å²	6	74.8 Å²	74.8	5%	0.05	38%	0.375	C	S	.	.	H	α-helix	trans	-61.3	-25.9	179.5	0	0	0	0	0	114.5	V692 V696 M697 D806	V692-A694 HydrophobicContact CG2-CB 4.27Å; V692-A694 PolarHBondContact O-N 3.4Å; A694-V696 VanDerWaalsContact C-N 3.34Å; A694-M697 HydrophobicContact CB-CE 4.31Å; A694-D806 HydrophobicContact CB-CB 4.21Å; A694-D806 WeakPolarHBondContact CB-O 3.2Å; A694-D806 PolarHBondContact N-O 3.18Å
695	D	85.5	Confident	75.1	Confident	64 Å²	64	70.6 Å²	70.6	34%	0.342	37%	0.366	S	S	.	.	H	α-helix	trans	-81.1	-17.6	-176.2	-60.1	-28.8	0	0	0	112.7	L691 V692 A693 R700	L691-D695 HydrophobicContact CD2-CB 4.36Å; V692-D695 VanDerWaalsContact CG2-OD2 3.25Å; V692-D695 WeakPolarHBondContact CG2-OD2 3.45Å; V692-D695 PolarHBondContact N-OD2 2.69Å; V692-D695 WeakPolarHBondContact O-CB 3.49Å; V692-D695 PolarHBondContact O-N 2.02Å; A693-D695 PolarHBondContact O-N 3.47Å; D695-R700 PolarHBondContact O-NE 3.38Å; D695-R700 PolarHBondContact O-NH2 2.99Å
696	V	85.4	Confident	76.1	Confident	6 Å²	6	74 Å²	74	4%	0.036	39%	0.389	C	S	.	.	H	α-helix	trans	-115.5	-22.3	-174	-174.8	0	0	0	0	112.2	A693 A694 M810 L837 I842 H845	A693-V696 PolarHBondContact O-N 3.35Å; A694-V696 VanDerWaalsContact C-N 3.34Å; V696-M810 HydrophobicContact CB-CE 3.83Å; V696-M810 HydrophobicContact CG2-CE 3.55Å; V696-M810 HydrophobicContact CG2-SD 4.34Å; V696-L837 HydrophobicContact CB-CD2 3.82Å; V696-L837 HydrophobicContact CG1-CD2 3.71Å; V696-I842 HydrophobicContact CG1-CG1 4.39Å; V696-H845 HydrophobicContact CG1-CB 3.92Å; V696-H845 HydrophobicContact CG2-CB 4.44Å
697	M	87.6	Confident	77.5	Confident	4 Å²	4	68.2 Å²	68.2	2%	0.02	36%	0.363	C	S	.	.	S	Bend	trans	-61.6	153.6	-177	71.8	-179.4	-176.8	0	0	113.4	A693 A694 P699 R700 R701 V827 L834 L837	A693-M697 PolarHBondContact O-N 3.48Å; A693-M697 VanDerWaalsContact O-N 3.11Å; A694-M697 HydrophobicContact CB-CE 4.31Å; M697-P699 CarbonylContact O-C 3.51Å; M697-P699 VanDerWaalsContact O-C 3.24Å; M697-R700 WeakPolarHBondContact O-CA 3.32Å; M697-R700 PolarHBondContact O-N 3.09Å; M697-R701 HydrophobicContact CE-CG 4.31Å; M697-V827 HydrophobicContact CB-CB 4.48Å; M697-V827 HydrophobicContact CB-CG2 3.85Å; M697-V827 HydrophobicContact SD-CB 3.6Å; M697-V827 VanDerWaalsContact SD-CB 3.6Å; M697-V827 HydrophobicContact SD-CG1 3.59Å; M697-V827 VanDerWaalsContact SD-CG1 3.59Å; M697-V827 HydrophobicContact SD-CG2 3.97Å; M697-L834 HydrophobicContact CE-CB 3.86Å; M697-L834 HydrophobicContact CE-CD1 4.49Å; M697-L834 HydrophobicContact SD-CB 4.08Å; M697-L837 HydrophobicContact CB-CD1 4.38Å; M697-L837 HydrophobicContact CB-CD2 4.23Å; M697-L837 HydrophobicContact CB-CG 3.87Å
698	H	85.9	Confident	79	Confident	90 Å²	90	71 Å²	71	42%	0.417	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-110.2	128.1	171.5	-88.5	-75	0	0	0	111.4	G835 V836 D841	H698-G835 CarbonylContact O-C 3.5Å; H698-G835 WeakPolarHBondContact O-CA 3.44Å; H698-V836 PolarHBondContact N-O 3.26Å; H698-V836 PolarHBondContact O-N 3.1Å; H698-D841 VanDerWaalsContact CD2-CG 3.48Å; H698-D841 IonicContact CD2-OD1 3.9Å; H698-D841 PolarHBondContact CD2-OD1 3.48Å; H698-D841 IonicContact CD2-OD2 3.55Å; H698-D841 IonicContact NE2-OD1 2.75Å
699	P	85.8	Confident	80.4	Confident	18 Å²	18	67.8 Å²	67.8	12%	0.117	36%	0.357	C	S	.	.	S	Bend	cis	-70.4	150.6	-5.2	32.4	-36.2	0	0	0	112.4	M697 S705 L707	M697-P699 CarbonylContact O-C 3.51Å; M697-P699 VanDerWaalsContact O-C 3.24Å; P699-S705 WeakPolarHBondContact CB-O 3.49Å; P699-S705 WeakPolarHBondContact CB-OG 3.34Å; P699-S705 WeakPolarHBondContact CG-O 3.25Å; P699-L707 HydrophobicContact CG-CB 4.01Å
700	R	77.7	Confident	81.7	Confident	110 Å²	110	61.3 Å²	61.3	42%	0.415	32%	0.322	S	S	.	.			trans	-67.6	151.7	170.9	-124.8	177.1	-172.6	-174.4	-2	109	D695 M697 D702 S703	D695-R700 PolarHBondContact O-NE 3.38Å; D695-R700 PolarHBondContact O-NH2 2.99Å; M697-R700 WeakPolarHBondContact O-CA 3.32Å; M697-R700 PolarHBondContact O-N 3.09Å; R700-D702 PolarHBondContact O-N 3.35Å; R700-S703 WeakPolarHBondContact O-CB 3.39Å; R700-S703 PolarHBondContact O-N 2.87Å
701	R	70.9	Confident	82.6	Confident	142 Å²	142	55.7 Å²	55.7	54%	0.536	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-32.5	176.4	-87.9	-174.3	177.4	169.4	2.8	113.3	M697 D806	M697-R701 HydrophobicContact CE-CG 4.31Å; R701-D806 IonicContact NH2-OD2 3.42Å; R701-D806 PolarHBondContact NH2-OD2 3Å
702	D	67.2	Low	82.7	Confident	152 Å²	152	55.9 Å²	55.9	81%	0.813	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	4.7	-176.8	-48.5	-32	0	0	0	113.5	R700	R700-D702 PolarHBondContact O-N 3.35Å
703	S	68	Low	82.4	Confident	53 Å²	53	57.2 Å²	57.2	37%	0.371	29%	0.289	S	S	.	.			trans	-90.4	123.9	-177.6	-168	0	0	0	0	110.5	R700 S705	R700-S703 WeakPolarHBondContact O-CB 3.39Å; R700-S703 PolarHBondContact O-N 2.87Å; S703-S705 WeakPolarHBondContact CB-OG 3.47Å; S703-S705 PolarHBondContact O-N 3.4Å; S703-S705 PolarHBondContact OG-OG 3.14Å
704	N	68.5	Low	82.2	Confident	170 Å²	170	62.2 Å²	62.2	91%	0.909	32%	0.316	S	S	*	.	S	Bend	trans	-63.9	-2.8	174.6	-78	-8	0	0	0	114.3	P706	N704-P706 WeakPolarHBondContact O-CD 3.24Å
705	S	74.4	Confident	82.2	Confident	50 Å²	50	63 Å²	63	35%	0.35	32%	0.319	S	S	.	.	S	Bend	trans	-77.1	117.2	174.8	55.8	0	0	0	0	110	P699 S703	P699-S705 WeakPolarHBondContact CB-O 3.49Å; P699-S705 WeakPolarHBondContact CB-OG 3.34Å; P699-S705 WeakPolarHBondContact CG-O 3.25Å; S703-S705 WeakPolarHBondContact CB-OG 3.47Å; S703-S705 PolarHBondContact O-N 3.4Å; S703-S705 PolarHBondContact OG-OG 3.14Å
706	P	81	Confident	82.4	Confident	85 Å²	85	61.4 Å²	61.4	55%	0.552	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-69.1	151.7	177.3	28.8	-34.2	0	0	0	111.5	N704 Y708	N704-P706 WeakPolarHBondContact O-CD 3.24Å; P706-Y708 HydrophobicContact CG-CE1 4.39Å; P706-Y708 PolarHBondContact O-N 2.76Å
707	L	85.5	Confident	82.5	Confident	40 Å²	40	61.2 Å²	61.2	21%	0.209	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-70.9	117.3	166.3	178.9	65.3	0	0	0	107.9	P699 V709 P733 P833 V836	P699-L707 HydrophobicContact CG-CB 4.01Å; L707-V709 HydrophobicContact CD2-CG1 3.96Å; L707-V709 HydrophobicContact CG-CG1 3.88Å; L707-V709 PolarHBondContact O-N 3.32Å; L707-P733 HydrophobicContact CD2-CG 4.31Å; L707-P733 HydrophobicContact CG-CG 4.5Å; L707-P833 HydrophobicContact CD2-CB 4.11Å; L707-P833 HydrophobicContact CD2-CG 4.43Å; L707-P833 WeakPolarHBondContact CD2-O 3.32Å; L707-V836 HydrophobicContact CD1-CG2 4.17Å
708	Y	89.2	Confident	82.5	Confident	76 Å²	76	62 Å²	62	30%	0.298	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-75	117.7	174.1	-62.5	-73.4	0	0	0	109.4	P706 L723 C727 V729 P733	P706-Y708 HydrophobicContact CG-CE1 4.39Å; P706-Y708 PolarHBondContact O-N 2.76Å; Y708-L723 HydrophobicContact CD1-CD1 3.75Å; Y708-L723 HydrophobicContact CG-CD1 4.32Å; Y708-C727 WeakPolarHBondContact CD1-SG 3.25Å; Y708-C727 HydrophobicContact CD2-CB 4.29Å; Y708-C727 WeakPolarHBondContact CE1-SG 3.42Å; Y708-C727 HydrophobicContact CE2-CB 4.36Å; Y708-C727 HydrophobicContact CG-CB 4.47Å; Y708-V729 HydrophobicContact CD2-CG2 4Å; Y708-P733 WeakPolarHBondContact O-CD 2.94Å
709	V	90.9	Very high	82.7	Confident	40 Å²	40	61 Å²	61	24%	0.242	32%	0.317	C	S	.	.			trans	-120.7	154.8	-179.5	-54.7	0	0	0	0	109.9	L707 P733 V735	L707-V709 HydrophobicContact CD2-CG1 3.96Å; L707-V709 HydrophobicContact CG-CG1 3.88Å; L707-V709 PolarHBondContact O-N 3.32Å; V709-P733 HydrophobicContact CB-CG 4.42Å; V709-P733 HydrophobicContact CG1-CG 3.91Å; V709-V735 HydrophobicContact CB-CG1 4.25Å; V709-V735 HydrophobicContact CB-CG2 4.01Å; V709-V735 HydrophobicContact CG1-CG1 4.35Å; V709-V735 HydrophobicContact CG2-CG2 3.82Å
710	V	91.5	Very high	83	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.1	172.9	172	0	0	0	0	108.3	M715 L720 L723 F732 P733 V734 V735 F774	V710-M715 HydrophobicContact CB-SD 4.3Å; V710-M715 HydrophobicContact CG1-SD 4.06Å; V710-M715 HydrophobicContact CG2-SD 4.43Å; V710-L720 HydrophobicContact CG1-CD2 3.89Å; V710-L720 HydrophobicContact CG2-CD2 4Å; V710-L723 HydrophobicContact CG2-CD2 3.8Å; V710-F732 HydrophobicContact CG2-CB 3.73Å; V710-F732 HydrophobicContact CG2-CD2 4.44Å; V710-F732 HydrophobicContact CG2-CG 4.11Å; V710-P733 PolarHBondContact N-O 3.45Å; V710-V734 CarbonylContact O-C 3.54Å; V710-V734 VanDerWaalsContact O-CA 3.27Å; V710-V734 WeakPolarHBondContact O-CA 3.3Å; V710-V735 PolarHBondContact O-N 2.92Å; V710-F774 HydrophobicContact CG1-CD2 3.73Å; V710-F774 HydrophobicContact CG1-CE2 3.24Å; V710-F774 HydrophobicContact CG1-CZ 3.7Å
711	T	90.7	Very high	83.6	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	157.4	178	65.5	0	0	0	0	111.5	D714 M715 V735 Q738 F774	T711-D714 WeakPolarHBondContact OG1-CB 3.47Å; T711-D714 PolarHBondContact OG1-N 2.71Å; T711-M715 WeakPolarHBondContact OG1-CG 3.28Å; T711-M715 PolarHBondContact OG1-N 3.23Å; T711-V735 CarbonylContact C-O 2.97Å; T711-V735 WeakPolarHBondContact CA-O 3.5Å; T711-V735 HydrophobicContact CG2-CG2 4.33Å; T711-Q738 HydrophobicContact CG2-CG 3.89Å; T711-F774 VanDerWaalsContact O-CD2 3.31Å; T711-F774 WeakPolarHBondContact O-CD2 3.45Å
712	Q	86.2	Confident	84.5	Confident	26 Å²	26	56.4 Å²	56.4	12%	0.121	31%	0.307	C	S	.	.	S	Bend	trans	-68.5	-34.2	-175.2	-172.7	177.4	-16.2	0	0	113.2	V735 V736 F774 A775	Q712-V735 PolarHBondContact N-O 3.37Å; Q712-V736 PolarHBondContact N-O 3.12Å; Q712-F774 PolarHBondContact O-N 3.06Å; Q712-A775 HydrophobicContact CG-CB 3.61Å
713	Y	83.5	Confident	85.6	Confident	68 Å²	68	50.3 Å²	50.3	27%	0.267	27%	0.274	S	S	.	.	S	Bend	trans	-137.3	-18.5	-172.8	-57.1	-62.8	0	0	0	115.6	H773 F777	Y713-H773 HydrophobicContact CD1-CB 4.31Å; Y713-H773 AromaticContact CD1-ND1 3.59Å; Y713-F777 HydrophobicContact CD1-CD2 4.13Å; Y713-F777 HydrophobicContact CE1-CB 4.29Å; Y713-F777 AromaticContact CE1-CD2 3.78Å; Y713-F777 HydrophobicContact CE1-CD2 3.78Å
714	D	83.1	Confident	86.6	Confident	105 Å²	105	47.9 Å²	47.9	56%	0.561	26%	0.256	S	S	*	.	S	Bend	trans	-90.9	-9.3	-164.4	-47.4	-44.3	0	0	0	114.4	T711	T711-D714 WeakPolarHBondContact OG1-CB 3.47Å; T711-D714 PolarHBondContact OG1-N 2.71Å
715	M	87.9	Confident	87.5	Confident	23 Å²	23	43.8 Å²	43.8	11%	0.113	24%	0.241	C	C	.	.			trans	-95.1	140.6	-175.4	-70.4	-173	77.8	0	0	112.5	V710 T711 D719 L720 L723 V772	V710-M715 HydrophobicContact CB-SD 4.3Å; V710-M715 HydrophobicContact CG1-SD 4.06Å; V710-M715 HydrophobicContact CG2-SD 4.43Å; T711-M715 WeakPolarHBondContact OG1-CG 3.28Å; T711-M715 PolarHBondContact OG1-N 3.23Å; M715-D719 HydrophobicContact CB-CB 4.47Å; M715-D719 HydrophobicContact CE-CB 3.79Å; M715-L720 HydrophobicContact CB-CD2 4.39Å; M715-L720 HydrophobicContact CB-CG 4.3Å; M715-L720 HydrophobicContact CE-CD2 3.71Å; M715-L720 HydrophobicContact CE-CG 4.18Å; M715-L720 HydrophobicContact SD-CD2 3.88Å; M715-L723 HydrophobicContact CE-CB 4.47Å; M715-L723 HydrophobicContact CE-CD2 4.15Å; M715-V772 PolarHBondContact O-N 3.39Å
716	T	89.6	Confident	88.1	Confident	30 Å²	30	50.9 Å²	50.9	18%	0.184	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-89.4	167.1	171.5	65.6	0	0	0	0	112.1	G718 D719 L720 D768 S770	T716-G718 VanDerWaalsContact C-N 3.28Å; T716-G718 PolarHBondContact O-N 2.89Å; T716-D719 PolarHBondContact N-OD2 2.9Å; T716-D719 PolarHBondContact O-N 3.4Å; T716-D719 PolarHBondContact OG1-N 3.36Å; T716-D719 PolarHBondContact OG1-OD2 3.38Å; T716-L720 WeakPolarHBondContact O-CG 3.32Å; T716-L720 PolarHBondContact O-N 3.44Å; T716-L720 VanDerWaalsContact O-N 3.09Å; T716-D768 WeakPolarHBondContact CB-O 3.45Å; T716-S770 WeakPolarHBondContact CA-O 3.21Å
717	V	87.6	Confident	88.3	Confident	3 Å²	3	47 Å²	47	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-57.7	-42.7	174.1	170.9	0	0	0	0	111	L720 D721 L756 I766 D768 S770 V772 V791	V717-L720 PolarHBondContact O-N 3Å; V717-D721 PolarHBondContact O-N 3.02Å; V717-L756 HydrophobicContact CG1-CD2 4.23Å; V717-L756 HydrophobicContact CG2-CD2 4.21Å; V717-I766 HydrophobicContact CG2-CG2 4.1Å; V717-D768 PolarHBondContact N-O 3.3Å; V717-S770 PolarHBondContact N-O 3.3Å; V717-V772 HydrophobicContact CB-CG2 4.45Å; V717-V772 HydrophobicContact CG2-CG2 3.56Å; V717-V791 HydrophobicContact CG2-CG2 4.05Å
718	G	88	Confident	88.1	Confident	20 Å²	20	51.8 Å²	51.8	21%	0.206	26%	0.261	C	S	.	.	H	α-helix	trans	-63.8	-41	177.9	0	0	0	0	0	112.5	T716 L720 D721 Q722 D768	T716-G718 VanDerWaalsContact C-N 3.28Å; T716-G718 PolarHBondContact O-N 2.89Å; G718-L720 VanDerWaalsContact C-N 3.32Å; G718-L720 PolarHBondContact O-N 3.48Å; G718-D721 PolarHBondContact O-N 2.98Å; G718-Q722 WeakPolarHBondContact O-CB 3.21Å; G718-Q722 PolarHBondContact O-N 3.22Å; G718-D768 PolarHBondContact N-O 3.37Å
719	D	90.8	Very high	87.9	Confident	68 Å²	68	51.1 Å²	51.1	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-41	175.1	-64.1	-40.8	0	0	0	111.6	M715 T716 Q722 L723	M715-D719 HydrophobicContact CB-CB 4.47Å; M715-D719 HydrophobicContact CE-CB 3.79Å; T716-D719 PolarHBondContact N-OD2 2.9Å; T716-D719 PolarHBondContact O-N 3.4Å; T716-D719 PolarHBondContact OG1-N 3.36Å; T716-D719 PolarHBondContact OG1-OD2 3.38Å; D719-Q722 PolarHBondContact O-N 2.94Å; D719-L723 VanDerWaalsContact O-CB 3.29Å; D719-L723 WeakPolarHBondContact O-CB 3.31Å; D719-L723 PolarHBondContact O-N 3.16Å
720	L	91	Very high	87.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68.4	-42.3	177.9	-69.4	169.5	0	0	0	111.7	V710 M715 T716 V717 G718 Q722 L723 V724 L752 L756 V772 F774	V710-L720 HydrophobicContact CG1-CD2 3.89Å; V710-L720 HydrophobicContact CG2-CD2 4Å; M715-L720 HydrophobicContact CB-CD2 4.39Å; M715-L720 HydrophobicContact CB-CG 4.3Å; M715-L720 HydrophobicContact CE-CD2 3.71Å; M715-L720 HydrophobicContact CE-CG 4.18Å; M715-L720 HydrophobicContact SD-CD2 3.88Å; T716-L720 WeakPolarHBondContact O-CG 3.32Å; T716-L720 PolarHBondContact O-N 3.44Å; T716-L720 VanDerWaalsContact O-N 3.09Å; V717-L720 PolarHBondContact O-N 3Å; G718-L720 VanDerWaalsContact C-N 3.32Å; G718-L720 PolarHBondContact O-N 3.48Å; L720-Q722 VanDerWaalsContact C-N 3.31Å; L720-Q722 PolarHBondContact O-N 3.43Å; L720-L723 PolarHBondContact O-N 3.04Å; L720-V724 WeakPolarHBondContact O-CB 3.19Å; L720-V724 WeakPolarHBondContact O-CG2 3.36Å; L720-V724 PolarHBondContact O-N 3.39Å; L720-L752 HydrophobicContact CD1-CD1 4.39Å; L720-L752 HydrophobicContact CD2-CD2 4.31Å; L720-L756 HydrophobicContact CB-CD1 4.04Å; L720-L756 HydrophobicContact CD1-CD2 4.37Å; L720-V772 HydrophobicContact CD1-CB 3.84Å; L720-V772 HydrophobicContact CD1-CG1 3.83Å; L720-V772 HydrophobicContact CD1-CG2 3.72Å; L720-F774 HydrophobicContact CD1-CE2 4.09Å; L720-F774 HydrophobicContact CD1-CZ 3.82Å; L720-F774 HydrophobicContact CD2-CE2 4.43Å; L720-F774 HydrophobicContact CD2-CZ 4.29Å
721	D	89.6	Confident	87.4	Confident	50 Å²	50	54 Å²	54	27%	0.267	28%	0.275	S	S	.	.	H	α-helix	trans	-63.9	-37.8	174.6	-91	-16.5	0	0	0	111.5	V717 G718 S725 R760	V717-D721 PolarHBondContact O-N 3.02Å; G718-D721 PolarHBondContact O-N 2.98Å; D721-S725 VanDerWaalsContact O-CB 3.27Å; D721-S725 WeakPolarHBondContact O-CB 3.24Å; D721-S725 PolarHBondContact O-N 3.16Å; D721-S725 PolarHBondContact O-OG 3Å; D721-R760 IonicContact OD2-NH1 3.39Å; D721-R760 PolarHBondContact OD2-NH1 3.09Å
722	Q	90.8	Very high	87.5	Confident	125 Å²	125	54 Å²	54	58%	0.584	28%	0.275	S	S	*	.	H	α-helix	trans	-67.6	-43	174.2	-161.8	-179	45.1	0	0	111.6	G718 D719 L720 V724 S725 R726	G718-Q722 WeakPolarHBondContact O-CB 3.21Å; G718-Q722 PolarHBondContact O-N 3.22Å; D719-Q722 PolarHBondContact O-N 2.94Å; L720-Q722 VanDerWaalsContact C-N 3.31Å; L720-Q722 PolarHBondContact O-N 3.43Å; Q722-V724 VanDerWaalsContact C-N 3.35Å; Q722-V724 PolarHBondContact O-N 2.95Å; Q722-S725 WeakPolarHBondContact CA-OG 3.43Å; Q722-S725 PolarHBondContact O-N 2.84Å; Q722-S725 PolarHBondContact O-OG 3.22Å; Q722-R726 WeakPolarHBondContact O-CB 3.48Å; Q722-R726 PolarHBondContact O-N 3.38Å
723	L	90.3	Very high	87.9	Confident	24 Å²	24	52.8 Å²	52.8	13%	0.126	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-47.6	175.8	-177.3	69.7	0	0	0	110.7	Y708 V710 M715 D719 L720 S725 R726 C727 F732	Y708-L723 HydrophobicContact CD1-CD1 3.75Å; Y708-L723 HydrophobicContact CG-CD1 4.32Å; V710-L723 HydrophobicContact CG2-CD2 3.8Å; M715-L723 HydrophobicContact CE-CB 4.47Å; M715-L723 HydrophobicContact CE-CD2 4.15Å; D719-L723 VanDerWaalsContact O-CB 3.29Å; D719-L723 WeakPolarHBondContact O-CB 3.31Å; D719-L723 PolarHBondContact O-N 3.16Å; L720-L723 PolarHBondContact O-N 3.04Å; L723-S725 VanDerWaalsContact C-N 3.35Å; L723-S725 PolarHBondContact O-N 3.16Å; L723-R726 PolarHBondContact O-N 3.32Å; L723-C727 VanDerWaalsContact O-CB 3.29Å; L723-C727 WeakPolarHBondContact O-CB 3.48Å; L723-C727 PolarHBondContact O-N 2.96Å; L723-C727 PolarHBondContact O-SG 2.66Å; L723-F732 HydrophobicContact CD2-CD1 4.15Å; L723-F732 HydrophobicContact CD2-CE1 4.11Å; L723-F732 HydrophobicContact CD2-CG 4.5Å; L723-F732 HydrophobicContact CD2-CZ 4.43Å; L723-F732 HydrophobicContact CG-CE1 4.13Å; L723-F732 HydrophobicContact CG-CZ 4.35Å
724	V	88.7	Confident	88.3	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-67.3	-34	-179.1	165.6	0	0	0	0	111.5	L720 Q722 F732 R749 L752 R753	L720-V724 WeakPolarHBondContact O-CB 3.19Å; L720-V724 WeakPolarHBondContact O-CG2 3.36Å; L720-V724 PolarHBondContact O-N 3.39Å; Q722-V724 VanDerWaalsContact C-N 3.35Å; Q722-V724 PolarHBondContact O-N 2.95Å; V724-F732 HydrophobicContact CG2-CE2 4.18Å; V724-R749 HydrophobicContact CG1-CG 4.11Å; V724-R749 PolarHBondContact O-NE 3.43Å; V724-R749 PolarHBondContact O-NH2 3.49Å; V724-L752 HydrophobicContact CG2-CD2 3.7Å; V724-L752 HydrophobicContact CG2-CG 4.44Å; V724-R753 HydrophobicContact CG1-CG 3.59Å; V724-R753 PolarHBondContact O-NH2 3.44Å
725	S	87.1	Confident	88.8	Confident	84 Å²	84	44.6 Å²	44.6	59%	0.587	23%	0.23	S	C	*	.	H	α-helix	trans	-78.2	-36.4	176.4	56	0	0	0	0	112.8	D721 Q722 L723	D721-S725 VanDerWaalsContact O-CB 3.27Å; D721-S725 WeakPolarHBondContact O-CB 3.24Å; D721-S725 PolarHBondContact O-N 3.16Å; D721-S725 PolarHBondContact O-OG 3Å; Q722-S725 WeakPolarHBondContact CA-OG 3.43Å; Q722-S725 PolarHBondContact O-N 2.84Å; Q722-S725 PolarHBondContact O-OG 3.22Å; L723-S725 VanDerWaalsContact C-N 3.35Å; L723-S725 PolarHBondContact O-N 3.16Å
726	R	87.7	Confident	88.9	Confident	199 Å²	199	46 Å²	46	75%	0.751	24%	0.24	S	C	*	.	H	α-helix	trans	-74.2	-31.7	-179.5	-171.6	176	-177.9	-178.7	0.9	113.3	Q722 L723	Q722-R726 WeakPolarHBondContact O-CB 3.48Å; Q722-R726 PolarHBondContact O-N 3.38Å; L723-R726 PolarHBondContact O-N 3.32Å
727	C	83.9	Confident	88.8	Confident	5 Å²	5	45.6 Å²	45.6	3%	0.034	24%	0.238	C	C	.	.			trans	-107	137.7	-172.3	-51.1	0	0	0	0	111.6	Y708 L723 V729 F732 R749	Y708-C727 WeakPolarHBondContact CD1-SG 3.25Å; Y708-C727 HydrophobicContact CD2-CB 4.29Å; Y708-C727 WeakPolarHBondContact CE1-SG 3.42Å; Y708-C727 HydrophobicContact CE2-CB 4.36Å; Y708-C727 HydrophobicContact CG-CB 4.47Å; L723-C727 VanDerWaalsContact O-CB 3.29Å; L723-C727 WeakPolarHBondContact O-CB 3.48Å; L723-C727 PolarHBondContact O-N 2.96Å; L723-C727 PolarHBondContact O-SG 2.66Å; C727-V729 VanDerWaalsContact C-N 3.32Å; C727-V729 HydrophobicContact CB-CG2 4.34Å; C727-F732 HydrophobicContact CB-CE1 4.3Å; C727-F732 HydrophobicContact CB-CZ 4.48Å; C727-R749 PolarHBondContact O-NH2 2.93Å
728	D	82.3	Confident	88.6	Confident	140 Å²	140	52.8 Å²	52.8	75%	0.749	27%	0.272	S	S	*	.			trans	-94.7	15.9	172.6	-160.6	29.5	0	0	0	113.1	R749	D728-R749 IonicContact OD1-NH1 3.39Å
729	V	84.8	Confident	88.4	Confident	62 Å²	62	59.4 Å²	59.4	38%	0.376	30%	0.302	S	S	.	.			trans	-75.7	137.7	178.9	-165.7	0	0	0	0	109.6	Y708 C727 G731 F732 R749	Y708-V729 HydrophobicContact CD2-CG2 4Å; C727-V729 VanDerWaalsContact C-N 3.32Å; C727-V729 HydrophobicContact CB-CG2 4.34Å; V729-G731 VanDerWaalsContact C-N 3.29Å; V729-G731 VanDerWaalsContact CG1-O 3.26Å; V729-G731 WeakPolarHBondContact CG1-O 3.36Å; V729-G731 PolarHBondContact O-N 3.16Å; V729-F732 HydrophobicContact CB-CE1 4.3Å; V729-R749 WeakPolarHBondContact O-CD 3.13Å
730	K	83.5	Confident	88.2	Confident	98 Å²	98	57.9 Å²	57.9	43%	0.426	30%	0.297	S	S	.	.	S	Bend	trans	-77.7	-6.9	-176	-68.4	-151.6	171.5	-162.6	0	114.9	E131 R749 R823	E131-K730 IonicContact OE1-NZ 2.91Å; E131-K730 PolarHBondContact OE1-NZ 3.26Å; K730-R749 WeakPolarHBondContact O-CB 3.33Å; K730-R749 PolarHBondContact O-N 3.03Å; K730-R823 VanDerWaalsContact CD-NH2 3.35Å
731	G	88.6	Confident	88	Confident	3 Å²	3	60.5 Å²	60.5	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	170.4	176.4	0	0	0	0	0	111.7	V729 W746 V747	V729-G731 VanDerWaalsContact C-N 3.29Å; V729-G731 VanDerWaalsContact CG1-O 3.26Å; V729-G731 WeakPolarHBondContact CG1-O 3.36Å; V729-G731 PolarHBondContact O-N 3.16Å; G731-W746 VanDerWaalsContact CA-CZ2 3.48Å; G731-W746 WeakPolarHBondContact O-CH2 3.4Å; G731-V747 CarbonylContact C-O 3.46Å; G731-V747 WeakPolarHBondContact CA-O 3.33Å
732	F	92.3	Very high	88.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.3	-170	-51.2	-81.6	0	0	0	110.2	V710 L723 V724 C727 V729 W746 V747 R749 L752	V710-F732 HydrophobicContact CG2-CB 3.73Å; V710-F732 HydrophobicContact CG2-CD2 4.44Å; V710-F732 HydrophobicContact CG2-CG 4.11Å; L723-F732 HydrophobicContact CD2-CD1 4.15Å; L723-F732 HydrophobicContact CD2-CE1 4.11Å; L723-F732 HydrophobicContact CD2-CG 4.5Å; L723-F732 HydrophobicContact CD2-CZ 4.43Å; L723-F732 HydrophobicContact CG-CE1 4.13Å; L723-F732 HydrophobicContact CG-CZ 4.35Å; V724-F732 HydrophobicContact CG2-CE2 4.18Å; C727-F732 HydrophobicContact CB-CE1 4.3Å; C727-F732 HydrophobicContact CB-CZ 4.48Å; V729-F732 HydrophobicContact CB-CE1 4.3Å; F732-W746 VanDerWaalsContact C-CE3 3.49Å; F732-V747 HydrophobicContact CB-CG1 4.17Å; F732-V747 PolarHBondContact N-O 3.21Å; F732-V747 PolarHBondContact O-N 3.45Å; F732-R749 HydrophobicContact CE2-CB 4.26Å; F732-R749 HydrophobicContact CE2-CG 4.34Å; F732-L752 HydrophobicContact CD2-CD2 4.28Å; F732-L752 HydrophobicContact CE2-CD2 4.36Å
733	P	93.9	Very high	88.3	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	136.4	166.4	31.9	-33.2	0	0	0	109.6	L707 Y708 V709 V710 L743 W746 I826 P833	L707-P733 HydrophobicContact CD2-CG 4.31Å; L707-P733 HydrophobicContact CG-CG 4.5Å; Y708-P733 WeakPolarHBondContact O-CD 2.94Å; V709-P733 HydrophobicContact CB-CG 4.42Å; V709-P733 HydrophobicContact CG1-CG 3.91Å; V710-P733 PolarHBondContact N-O 3.45Å; P733-L743 HydrophobicContact CB-CD1 3.68Å; P733-W746 HydrophobicContact CB-CE3 4.29Å; P733-I826 HydrophobicContact CB-CD1 4.35Å; P733-P833 HydrophobicContact CB-CB 4.41Å; P733-P833 HydrophobicContact CB-CG 4.47Å
734	V	93	Very high	88.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.4	173.1	-175.8	0	0	0	0	107.9	V710 V744 G745 V747 F774 V797	V710-V734 CarbonylContact O-C 3.54Å; V710-V734 VanDerWaalsContact O-CA 3.27Å; V710-V734 WeakPolarHBondContact O-CA 3.3Å; V734-V744 HydrophobicContact CB-CB 4.48Å; V734-V744 HydrophobicContact CG1-CB 4.23Å; V734-V744 PolarHBondContact O-N 3.45Å; V734-G745 PolarHBondContact N-O 2.99Å; V734-G745 PolarHBondContact O-N 3.44Å; V734-V747 HydrophobicContact CG2-CB 4.23Å; V734-V747 HydrophobicContact CG2-CG1 4.06Å; V734-F774 HydrophobicContact CG1-CB 3.95Å; V734-F774 HydrophobicContact CG1-CG 4.41Å; V734-V797 HydrophobicContact CG2-CG1 4.14Å; V734-V797 HydrophobicContact CG2-CG2 4.37Å
735	V	93	Very high	88.5	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	158.3	179.8	-62.8	0	0	0	0	111.4	V709 V710 T711 Q712 Y742 P833	V709-V735 HydrophobicContact CB-CG1 4.25Å; V709-V735 HydrophobicContact CB-CG2 4.01Å; V709-V735 HydrophobicContact CG1-CG1 4.35Å; V709-V735 HydrophobicContact CG2-CG2 3.82Å; V710-V735 PolarHBondContact O-N 2.92Å; T711-V735 CarbonylContact C-O 2.97Å; T711-V735 WeakPolarHBondContact CA-O 3.5Å; T711-V735 HydrophobicContact CG2-CG2 4.33Å; Q712-V735 PolarHBondContact N-O 3.37Å; V735-Y742 CarbonylContact C-O 3.35Å; V735-Y742 WeakPolarHBondContact CA-O 3.47Å; V735-P833 HydrophobicContact CG1-CG 3.63Å
736	V	89.8	Confident	88.7	Confident	53 Å²	53	57.7 Å²	57.7	32%	0.321	29%	0.288	S	S	.	.	S	Bend	trans	-60	-58.5	180	178	0	0	0	0	110.8	Q712 Y742 V744	Q712-V736 PolarHBondContact N-O 3.12Å; V736-Y742 PolarHBondContact N-O 3.26Å; V736-V744 HydrophobicContact CB-CG2 4.45Å; V736-V744 HydrophobicContact CG2-CG2 3.56Å
737	S	87.2	Confident	88.8	Confident	21 Å²	21	48.2 Å²	48.2	15%	0.147	25%	0.252	C	S	.	.			trans	-151	172	173.4	70.9	0	0	0	0	110.9	D739 S740	S737-D739 VanDerWaalsContact C-N 3.27Å; S737-D739 PolarHBondContact O-N 3.33Å; S737-D739 PolarHBondContact OG-N 3.11Å; S737-S740 PolarHBondContact N-O 2.88Å; S737-S740 CarbonylContact O-C 3.59Å; S737-S740 PolarHBondContact O-N 2.83Å; S737-S740 VanDerWaalsContact O-O 3.09Å; S737-S740 PolarHBondContact OG-N 3.48Å; S737-S740 PolarHBondContact OG-OG 3.19Å
738	Q	83.8	Confident	89.1	Confident	154 Å²	154	48.6 Å²	48.6	72%	0.72	26%	0.255	S	S	*	.	S	Bend	trans	-64.3	-34.2	172.7	-71.9	-179.2	5.7	0	0	112.2	T711	T711-Q738 HydrophobicContact CG2-CG 3.89Å
739	D	83.5	Confident	89.4	Confident	158 Å²	158	44.1 Å²	44.1	85%	0.845	23%	0.227	S	C	*	.	S	Bend	trans	-78	-29.7	179.9	-58.2	-41.7	0	0	0	112.8	S737 P741	S737-D739 VanDerWaalsContact C-N 3.27Å; S737-D739 PolarHBondContact O-N 3.33Å; S737-D739 PolarHBondContact OG-N 3.11Å; D739-P741 WeakPolarHBondContact O-CD 3.49Å
740	S	87.8	Confident	89.3	Confident	37 Å²	37	44.9 Å²	44.9	26%	0.259	22%	0.223	S	C	.	.	S	Bend	trans	-122.8	81.1	177.6	64.6	0	0	0	0	109.5	S737 Y742	S737-S740 PolarHBondContact N-O 2.88Å; S737-S740 CarbonylContact O-C 3.59Å; S737-S740 PolarHBondContact O-N 2.83Å; S737-S740 VanDerWaalsContact O-O 3.09Å; S737-S740 PolarHBondContact OG-N 3.48Å; S737-S740 PolarHBondContact OG-OG 3.19Å; S740-Y742 PolarHBondContact O-N 3.44Å
741	P	87.3	Confident	89.4	Confident	55 Å²	55	42.5 Å²	42.5	36%	0.357	21%	0.214	S	C	.	.			trans	-78.2	54.4	-171.6	33.5	-37.6	0	0	0	111.4	D739 C832 P833	D739-P741 WeakPolarHBondContact O-CD 3.49Å; P741-C832 HydrophobicContact CG-CB 4.43Å; P741-C832 WeakPolarHBondContact O-CA 3.44Å; P741-C832 WeakPolarHBondContact O-CB 3.05Å; P741-C832 PolarHBondContact O-SG 3.43Å; P741-P833 WeakPolarHBondContact O-CD 3.46Å
742	Y	92.9	Very high	89.5	Confident	130 Å²	130	42.4 Å²	42.4	51%	0.51	21%	0.212	S	C	.	.			trans	-82.7	134.8	172.8	-72.1	-70.1	0	0	0	110.4	V735 V736 S740 V744 N830	V735-Y742 CarbonylContact C-O 3.35Å; V735-Y742 WeakPolarHBondContact CA-O 3.47Å; V736-Y742 PolarHBondContact N-O 3.26Å; S740-Y742 PolarHBondContact O-N 3.44Å; Y742-V744 PolarHBondContact O-N 3.13Å; Y742-N830 WeakPolarHBondContact CE1-O 3.03Å
743	L	93.3	Very high	89.3	Confident	40 Å²	40	47.1 Å²	47.1	21%	0.209	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	123.6	179.9	-176.3	70.3	0	0	0	111.2	P733 G745 P801 T803 I826 T828 G831 P833	P733-L743 HydrophobicContact CB-CD1 3.68Å; L743-G745 WeakPolarHBondContact CD1-O 3.45Å; L743-P801 HydrophobicContact CD2-CG 3.99Å; L743-P801 HydrophobicContact CG-CG 4.49Å; L743-T803 HydrophobicContact CD2-CG2 3.43Å; L743-T803 VanDerWaalsContact CD2-CG2 3.43Å; L743-I826 HydrophobicContact CD1-CD1 3.94Å; L743-I826 HydrophobicContact CD2-CD1 4.02Å; L743-I826 HydrophobicContact CD2-CG2 4.16Å; L743-T828 HydrophobicContact CD2-CG2 4.02Å; L743-G831 PolarHBondContact N-O 3.16Å; L743-P833 HydrophobicContact CD1-CB 4.36Å; L743-P833 HydrophobicContact CD1-CG 4.37Å
744	V	90.9	Very high	89	Confident	37 Å²	37	49.6 Å²	49.6	22%	0.224	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-40.9	174.2	-179.8	0	0	0	0	110.8	V734 V736 Y742	V734-V744 HydrophobicContact CB-CB 4.48Å; V734-V744 HydrophobicContact CG1-CB 4.23Å; V734-V744 PolarHBondContact O-N 3.45Å; V736-V744 HydrophobicContact CB-CG2 4.45Å; V736-V744 HydrophobicContact CG2-CG2 3.56Å; Y742-V744 PolarHBondContact O-N 3.13Å
745	G	91.4	Very high	88.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177	-163.5	-175.6	0	0	0	0	0	113.7	V734 L743 D798	V734-G745 PolarHBondContact N-O 2.99Å; V734-G745 PolarHBondContact O-N 3.44Å; L743-G745 WeakPolarHBondContact CD1-O 3.45Å; G745-D798 CarbonylContact C-O 3.56Å; G745-D798 WeakPolarHBondContact CA-O 3.46Å
746	W	91.3	Very high	88.5	Confident	18 Å²	18	50 Å²	50	7%	0.068	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.7	179.1	175.8	-92.8	0	0	0	111	G731 F732 P733 D798 P801 Q824 I826 V836	G731-W746 VanDerWaalsContact CA-CZ2 3.48Å; G731-W746 WeakPolarHBondContact O-CH2 3.4Å; F732-W746 VanDerWaalsContact C-CE3 3.49Å; P733-W746 HydrophobicContact CB-CE3 4.29Å; W746-D798 HydrophobicContact CB-CB 4.43Å; W746-D798 PolarHBondContact N-O 3.25Å; W746-D798 PolarHBondContact O-N 3.43Å; W746-P801 HydrophobicContact CB-CB 3.88Å; W746-P801 HydrophobicContact CB-CG 4.4Å; W746-Q824 HydrophobicContact CD2-CG 4.46Å; W746-Q824 HydrophobicContact CH2-CG 4.17Å; W746-Q824 HydrophobicContact CZ2-CG 3.76Å; W746-I826 HydrophobicContact CB-CD1 4.42Å; W746-I826 HydrophobicContact CD2-CD1 4.48Å; W746-I826 HydrophobicContact CE3-CD1 3.7Å; W746-I826 HydrophobicContact CE3-CG1 4.14Å; W746-I826 HydrophobicContact CZ3-CD1 4.39Å; W746-I826 HydrophobicContact CZ3-CG1 4.42Å; W746-V836 HydrophobicContact CH2-CG1 4.01Å; W746-V836 HydrophobicContact CH2-CG2 4.16Å; W746-V836 HydrophobicContact CZ3-CG1 4.24Å; W746-V836 HydrophobicContact CZ3-CG2 3.76Å
747	V	91.3	Very high	88.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.8	174.9	69.3	0	0	0	0	110.6	G731 F732 V734 L752 I796	G731-V747 CarbonylContact C-O 3.46Å; G731-V747 WeakPolarHBondContact CA-O 3.33Å; F732-V747 HydrophobicContact CB-CG1 4.17Å; F732-V747 PolarHBondContact N-O 3.21Å; F732-V747 PolarHBondContact O-N 3.45Å; V734-V747 HydrophobicContact CG2-CB 4.23Å; V734-V747 HydrophobicContact CG2-CG1 4.06Å; V747-L752 HydrophobicContact CG2-CB 4.1Å; V747-L752 HydrophobicContact CG2-CD1 4.45Å; V747-I796 HydrophobicContact CG2-CD1 3.64Å; V747-I796 HydrophobicContact CG2-CG1 4.1Å
748	S	88.3	Confident	88.3	Confident	13 Å²	13	54.1 Å²	54.1	9%	0.091	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	146.5	175.8	78.9	0	0	0	0	111.3	R750 E751 L752	S748-R750 PolarHBondContact O-N 3.29Å; S748-E751 WeakPolarHBondContact CB-OE2 3.38Å; S748-E751 PolarHBondContact O-N 2.82Å; S748-E751 VanDerWaalsContact OG-CB 3.31Å; S748-E751 WeakPolarHBondContact OG-CB 3.49Å; S748-E751 VanDerWaalsContact OG-CG 3.24Å; S748-E751 WeakPolarHBondContact OG-CG 3.2Å; S748-E751 PolarHBondContact OG-N 3.29Å; S748-E751 PolarHBondContact OG-OE2 3.28Å; S748-L752 WeakPolarHBondContact O-CB 3.42Å; S748-L752 PolarHBondContact O-N 2.93Å
749	R	88.9	Confident	88.4	Confident	45 Å²	45	48.7 Å²	48.7	17%	0.17	23%	0.229	C	C	.	.	H	α-helix	trans	-58.3	-36.6	178.4	-171.2	-168.2	-164.9	-161.3	11	111.9	V724 C727 D728 V729 K730 F732 R753	V724-R749 HydrophobicContact CG1-CG 4.11Å; V724-R749 PolarHBondContact O-NE 3.43Å; V724-R749 PolarHBondContact O-NH2 3.49Å; C727-R749 PolarHBondContact O-NH2 2.93Å; D728-R749 IonicContact OD1-NH1 3.39Å; V729-R749 WeakPolarHBondContact O-CD 3.13Å; K730-R749 WeakPolarHBondContact O-CB 3.33Å; K730-R749 PolarHBondContact O-N 3.03Å; F732-R749 HydrophobicContact CE2-CB 4.26Å; F732-R749 HydrophobicContact CE2-CG 4.34Å; R749-R753 VanDerWaalsContact NH2-NH2 3.12Å; R749-R753 WeakPolarHBondContact O-CB 3.4Å; R749-R753 PolarHBondContact O-N 3Å
750	R	84.1	Confident	88.3	Confident	78 Å²	78	46 Å²	46	29%	0.294	21%	0.207	S	C	.	.	H	α-helix	trans	-69.5	-45.6	-178.4	-168.4	178.2	75.3	173.9	3.5	111.4	V124 S748 W754	V124-R750 HydrophobicContact CG1-CG 4.46Å; V124-R750 VanDerWaalsContact O-CZ 3.24Å; V124-R750 PolarHBondContact O-NH1 2.82Å; V124-R750 PolarHBondContact O-NH2 3.41Å; S748-R750 PolarHBondContact O-N 3.29Å; R750-W754 VanDerWaalsContact O-CB 3.3Å; R750-W754 WeakPolarHBondContact O-CB 3.31Å; R750-W754 PolarHBondContact O-N 2.99Å
751	E	85.8	Confident	88.1	Confident	49 Å²	49	53 Å²	53	23%	0.229	23%	0.233	C	C	.	.	H	α-helix	trans	-67.7	-39.2	177.4	-71.8	159.4	164.9	0	0	111.3	K137 S748 W754 A755 I796	K137-E751 IonicContact NZ-OE1 2.7Å; K137-E751 PolarHBondContact NZ-OE1 3.43Å; S748-E751 WeakPolarHBondContact CB-OE2 3.38Å; S748-E751 PolarHBondContact O-N 2.82Å; S748-E751 VanDerWaalsContact OG-CB 3.31Å; S748-E751 WeakPolarHBondContact OG-CB 3.49Å; S748-E751 VanDerWaalsContact OG-CG 3.24Å; S748-E751 WeakPolarHBondContact OG-CG 3.2Å; S748-E751 PolarHBondContact OG-N 3.29Å; S748-E751 PolarHBondContact OG-OE2 3.28Å; E751-W754 PolarHBondContact O-N 3.15Å; E751-A755 VanDerWaalsContact O-CB 3.25Å; E751-A755 WeakPolarHBondContact O-CB 3.37Å; E751-A755 PolarHBondContact O-N 3.24Å; E751-I796 HydrophobicContact CB-CB 4.35Å
752	L	89.7	Confident	87.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-53.8	176	-175.5	62.1	0	0	0	111.4	L720 V724 F732 V747 S748 W754 A755 L756 F774 L793 I796	L720-L752 HydrophobicContact CD1-CD1 4.39Å; L720-L752 HydrophobicContact CD2-CD2 4.31Å; V724-L752 HydrophobicContact CG2-CD2 3.7Å; V724-L752 HydrophobicContact CG2-CG 4.44Å; F732-L752 HydrophobicContact CD2-CD2 4.28Å; F732-L752 HydrophobicContact CE2-CD2 4.36Å; V747-L752 HydrophobicContact CG2-CB 4.1Å; V747-L752 HydrophobicContact CG2-CD1 4.45Å; S748-L752 WeakPolarHBondContact O-CB 3.42Å; S748-L752 PolarHBondContact O-N 2.93Å; L752-W754 VanDerWaalsContact C-N 3.33Å; L752-W754 PolarHBondContact O-N 2.88Å; L752-A755 PolarHBondContact O-N 3.5Å; L752-L756 HydrophobicContact CD1-CD1 4.26Å; L752-L756 HydrophobicContact CD1-CG 4.46Å; L752-L756 HydrophobicContact CG-CD1 4.13Å; L752-L756 VanDerWaalsContact O-CG 3.3Å; L752-L756 WeakPolarHBondContact O-CG 3.44Å; L752-L756 PolarHBondContact O-N 3Å; L752-F774 HydrophobicContact CD1-CE1 3.96Å; L752-F774 HydrophobicContact CD1-CZ 3.88Å; L752-L793 HydrophobicContact CD1-CD1 3.99Å; L752-I796 HydrophobicContact CD1-CD1 4.14Å
753	R	89.2	Confident	87.3	Confident	100 Å²	100	55.9 Å²	55.9	38%	0.377	24%	0.241	S	C	.	.	H	α-helix	trans	-55.9	-48.6	176	-84.4	-170.2	171.9	152.4	4.8	112.1	V724 R749 A755 L756 D757	V724-R753 HydrophobicContact CG1-CG 3.59Å; V724-R753 PolarHBondContact O-NH2 3.44Å; R749-R753 VanDerWaalsContact NH2-NH2 3.12Å; R749-R753 WeakPolarHBondContact O-CB 3.4Å; R749-R753 PolarHBondContact O-N 3Å; R753-A755 VanDerWaalsContact C-N 3.32Å; R753-A755 PolarHBondContact O-N 3.45Å; R753-L756 PolarHBondContact O-N 2.92Å; R753-D757 WeakPolarHBondContact O-CB 3.41Å; R753-D757 PolarHBondContact O-N 3.28Å
754	W	86.5	Confident	86.4	Confident	53 Å²	53	59.3 Å²	59.3	20%	0.201	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-41.3	-178.3	174	73.8	0	0	0	112.3	I121 V124 R750 E751 L752 D757 R758	I121-W754 HydrophobicContact CB-CH2 4.41Å; I121-W754 HydrophobicContact CD1-CH2 4.5Å; I121-W754 HydrophobicContact CG1-CH2 3.45Å; I121-W754 VanDerWaalsContact CG1-CH2 3.45Å; I121-W754 HydrophobicContact CG1-CZ2 4.32Å; I121-W754 HydrophobicContact CG1-CZ3 3.79Å; V124-W754 HydrophobicContact CG1-CG 4.49Å; V124-W754 HydrophobicContact CG2-CG 4.2Å; R750-W754 VanDerWaalsContact O-CB 3.3Å; R750-W754 WeakPolarHBondContact O-CB 3.31Å; R750-W754 PolarHBondContact O-N 2.99Å; E751-W754 PolarHBondContact O-N 3.15Å; L752-W754 VanDerWaalsContact C-N 3.33Å; L752-W754 PolarHBondContact O-N 2.88Å; W754-D757 PolarHBondContact O-N 3.27Å; W754-R758 VanDerWaalsContact O-CB 3.27Å; W754-R758 WeakPolarHBondContact O-CB 3.45Å; W754-R758 PolarHBondContact O-N 3.25Å
755	A	87.4	Confident	85.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.1	-43.8	179.4	0	0	0	0	0	111.1	E751 L752 R753 D757 R758 E759 L793 I796	E751-A755 VanDerWaalsContact O-CB 3.25Å; E751-A755 WeakPolarHBondContact O-CB 3.37Å; E751-A755 PolarHBondContact O-N 3.24Å; L752-A755 PolarHBondContact O-N 3.5Å; R753-A755 VanDerWaalsContact C-N 3.32Å; R753-A755 PolarHBondContact O-N 3.45Å; A755-D757 PolarHBondContact O-N 3.24Å; A755-R758 PolarHBondContact O-N 2.72Å; A755-E759 WeakPolarHBondContact O-CG 3.42Å; A755-E759 PolarHBondContact O-N 3.06Å; A755-L793 HydrophobicContact CB-CD2 3.64Å; A755-I796 HydrophobicContact CB-CD1 3.91Å; A755-I796 HydrophobicContact CB-CG2 4.08Å
756	L	87.9	Confident	85.1	Confident	8 Å²	8	63.2 Å²	63.2	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-59.2	-48	174.7	-67.1	171.5	0	0	0	111.5	V717 L720 L752 R753 R758 E759 R760 L793	V717-L756 HydrophobicContact CG1-CD2 4.23Å; V717-L756 HydrophobicContact CG2-CD2 4.21Å; L720-L756 HydrophobicContact CB-CD1 4.04Å; L720-L756 HydrophobicContact CD1-CD2 4.37Å; L752-L756 HydrophobicContact CD1-CD1 4.26Å; L752-L756 HydrophobicContact CD1-CG 4.46Å; L752-L756 HydrophobicContact CG-CD1 4.13Å; L752-L756 VanDerWaalsContact O-CG 3.3Å; L752-L756 WeakPolarHBondContact O-CG 3.44Å; L752-L756 PolarHBondContact O-N 3Å; R753-L756 PolarHBondContact O-N 2.92Å; L756-R758 VanDerWaalsContact C-N 3.27Å; L756-R758 PolarHBondContact O-N 2.76Å; L756-E759 PolarHBondContact O-N 2.68Å; L756-R760 VanDerWaalsContact O-CB 3.29Å; L756-R760 WeakPolarHBondContact O-CB 3.43Å; L756-R760 PolarHBondContact O-N 3.06Å; L756-L793 HydrophobicContact CD2-CD1 3.97Å; L756-L793 HydrophobicContact CG-CD1 4.43Å
757	D	87.5	Confident	84.6	Confident	88 Å²	88	66 Å²	66	47%	0.471	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-34.2	176.9	-76	-22.9	0	0	0	112.9	R753 W754 A755 K761	R753-D757 WeakPolarHBondContact O-CB 3.41Å; R753-D757 PolarHBondContact O-N 3.28Å; W754-D757 PolarHBondContact O-N 3.27Å; A755-D757 PolarHBondContact O-N 3.24Å; D757-K761 VanDerWaalsContact O-CG 3.28Å; D757-K761 WeakPolarHBondContact O-CG 3.49Å; D757-K761 PolarHBondContact O-N 2.97Å
758	R	86.3	Confident	84.1	Confident	73 Å²	73	69.3 Å²	69.3	28%	0.275	32%	0.324	S	S	.	.	H	α-helix	trans	-71.3	-50.4	179.6	-176.4	-172.9	77.6	-176.7	2.5	111	W754 A755 L756 R760 K761 Y762	W754-R758 VanDerWaalsContact O-CB 3.27Å; W754-R758 WeakPolarHBondContact O-CB 3.45Å; W754-R758 PolarHBondContact O-N 3.25Å; A755-R758 PolarHBondContact O-N 2.72Å; L756-R758 VanDerWaalsContact C-N 3.27Å; L756-R758 PolarHBondContact O-N 2.76Å; R758-R760 VanDerWaalsContact C-N 3.33Å; R758-K761 PolarHBondContact O-N 2.82Å; R758-Y762 PolarHBondContact O-N 3.36Å
759	E	84.3	Confident	83.9	Confident	40 Å²	40	74.2 Å²	74.2	19%	0.187	35%	0.349	C	S	.	.	H	α-helix	trans	-63.9	-42.6	-178.4	-62.9	-53.7	136.8	0	0	110.1	A755 L756 K761 Y762 D763 I766 V791 L793	A755-E759 WeakPolarHBondContact O-CG 3.42Å; A755-E759 PolarHBondContact O-N 3.06Å; L756-E759 PolarHBondContact O-N 2.68Å; E759-K761 PolarHBondContact O-N 2.05Å; E759-Y762 PolarHBondContact O-N 2.86Å; E759-D763 PolarHBondContact O-N 2.92Å; E759-I766 HydrophobicContact CB-CD1 3.76Å; E759-V791 HydrophobicContact CB-CG1 3.98Å; E759-V791 HydrophobicContact CG-CG1 3.77Å; E759-L793 HydrophobicContact CG-CD2 4.37Å
760	R	83	Confident	83.7	Confident	101 Å²	101	72 Å²	72	38%	0.381	34%	0.341	S	S	.	.	H	α-helix	trans	-61.4	-26.9	176.1	-155.9	175.4	-162.4	157.6	7.2	114.1	D721 L756 R758 D768	D721-R760 IonicContact OD2-NH1 3.39Å; D721-R760 PolarHBondContact OD2-NH1 3.09Å; L756-R760 VanDerWaalsContact O-CB 3.29Å; L756-R760 WeakPolarHBondContact O-CB 3.43Å; L756-R760 PolarHBondContact O-N 3.06Å; R758-R760 VanDerWaalsContact C-N 3.33Å; R760-D768 IonicContact CZ-OD1 3.43Å; R760-D768 IonicContact NH1-OD1 3.51Å; R760-D768 IonicContact NH2-OD1 2.66Å; R760-D768 PolarHBondContact NH2-OD1 2.55Å; R760-D768 IonicContact NH2-OD2 3.77Å
761	K	83.6	Confident	83.7	Confident	184 Å²	184	70 Å²	70	80%	0.8	34%	0.337	S	S	*	.	H	α-helix	trans	-82	-30.5	173.5	-78.8	174.2	-176.6	171.7	0	112.9	D757 R758 E759	D757-K761 VanDerWaalsContact O-CG 3.28Å; D757-K761 WeakPolarHBondContact O-CG 3.49Å; D757-K761 PolarHBondContact O-N 2.97Å; R758-K761 PolarHBondContact O-N 2.82Å; E759-K761 PolarHBondContact O-N 2.05Å
762	Y	83.2	Confident	83.7	Confident	201 Å²	201	67.6 Å²	67.6	79%	0.788	33%	0.326	S	S	*	.	H	α-helix	trans	-80.7	-40.7	-177	-167.5	-93.2	0	0	0	111.3	R758 E759	R758-Y762 PolarHBondContact O-N 3.36Å; E759-Y762 PolarHBondContact O-N 2.86Å
763	D	78.9	Confident	83.4	Confident	46 Å²	46	69.1 Å²	69.1	25%	0.246	33%	0.333	C	S	.	.			trans	-126.3	112.2	179.6	-168.2	-6.5	0	0	0	110.6	E759 N765 I766	E759-D763 PolarHBondContact O-N 2.92Å; D763-N765 PolarHBondContact O-N 2.53Å; D763-N765 WeakPolarHBondContact OD1-CB 3.44Å; D763-N765 PolarHBondContact OD1-N 3.49Å; D763-N765 PolarHBondContact OD1-ND2 3.22Å; D763-I766 HydrophobicContact CB-CD1 3.84Å; D763-I766 HydrophobicContact CB-CG1 4.04Å; D763-I766 PolarHBondContact O-N 3.21Å
764	S	75.3	Confident	83.1	Confident	111 Å²	111	64.3 Å²	64.3	78%	0.776	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-12.9	178.4	52.3	0	0	0	0	113.4	I766	S764-I766 VanDerWaalsContact C-N 3.25Å
765	N	76.9	Confident	82.6	Confident	104 Å²	104	62.3 Å²	62.3	56%	0.556	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-6	177.8	-58.1	-32.2	0	0	0	112.7	D763 V767	D763-N765 PolarHBondContact O-N 2.53Å; D763-N765 WeakPolarHBondContact OD1-CB 3.44Å; D763-N765 PolarHBondContact OD1-N 3.49Å; D763-N765 PolarHBondContact OD1-ND2 3.22Å; N765-V767 VanDerWaalsContact O-CG2 3.29Å; N765-V767 WeakPolarHBondContact O-CG2 3.42Å; N765-V767 PolarHBondContact O-N 3.31Å
766	I	77.6	Confident	81.6	Confident	15 Å²	15	66.9 Å²	66.9	8%	0.077	34%	0.338	C	S	.	.			trans	-77.8	106	174.9	-62.6	171.7	0	0	0	108.7	V717 E759 D763 S764 V791	V717-I766 HydrophobicContact CG2-CG2 4.1Å; E759-I766 HydrophobicContact CB-CD1 3.76Å; D763-I766 HydrophobicContact CB-CD1 3.84Å; D763-I766 HydrophobicContact CB-CG1 4.04Å; D763-I766 PolarHBondContact O-N 3.21Å; S764-I766 VanDerWaalsContact C-N 3.25Å; I766-V791 HydrophobicContact CD1-CG2 3.86Å; I766-V791 HydrophobicContact CG1-CG2 4.08Å; I766-V791 HydrophobicContact CG2-CG2 3.68Å
767	V	80.4	Confident	80	Confident	78 Å²	78	71.1 Å²	71.1	47%	0.473	36%	0.356	S	S	.	.			trans	-102.6	169.7	179.3	-141.7	0	0	0	0	109.3	N765 D769 S770 L788	N765-V767 VanDerWaalsContact O-CG2 3.29Å; N765-V767 WeakPolarHBondContact O-CG2 3.42Å; N765-V767 PolarHBondContact O-N 3.31Å; V767-D769 PolarHBondContact O-N 3.4Å; V767-S770 PolarHBondContact N-OG 3.2Å; V767-S770 VanDerWaalsContact O-CB 3.26Å; V767-S770 WeakPolarHBondContact O-CB 3.49Å; V767-S770 PolarHBondContact O-N 3.03Å; V767-S770 PolarHBondContact O-OG 3.45Å; V767-L788 HydrophobicContact CB-CD2 4.16Å; V767-L788 HydrophobicContact CG2-CD2 3.8Å
768	D	81.6	Confident	78.2	Confident	69 Å²	69	75 Å²	75	37%	0.369	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.9	-179.4	-68.9	-30.1	0	0	0	112.3	T716 V717 G718 R760 S770	T716-D768 WeakPolarHBondContact CB-O 3.45Å; V717-D768 PolarHBondContact N-O 3.3Å; G718-D768 PolarHBondContact N-O 3.37Å; R760-D768 IonicContact CZ-OD1 3.43Å; R760-D768 IonicContact NH1-OD1 3.51Å; R760-D768 IonicContact NH2-OD1 2.66Å; R760-D768 PolarHBondContact NH2-OD1 2.55Å; R760-D768 IonicContact NH2-OD2 3.77Å; D768-S770 VanDerWaalsContact C-N 3.28Å; D768-S770 PolarHBondContact O-N 2.68Å
769	D	83.8	Confident	76.2	Confident	115 Å²	115	80.3 Å²	80.3	62%	0.615	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-0.6	178.8	-62.4	-33	0	0	0	113.9	V767 L788	V767-D769 PolarHBondContact O-N 3.4Å; D769-L788 HydrophobicContact CB-CD1 4.44Å; D769-L788 HydrophobicContact CB-CD2 4.36Å
770	S	84.2	Confident	74.2	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	42%	0.421	C	S	.	.			trans	-63.9	128.9	177.8	-73.7	0	0	0	0	110.6	T716 V717 V767 D768 T789	T716-S770 WeakPolarHBondContact CA-O 3.21Å; V717-S770 PolarHBondContact N-O 3.3Å; V767-S770 PolarHBondContact N-OG 3.2Å; V767-S770 VanDerWaalsContact O-CB 3.26Å; V767-S770 WeakPolarHBondContact O-CB 3.49Å; V767-S770 PolarHBondContact O-N 3.03Å; V767-S770 PolarHBondContact O-OG 3.45Å; D768-S770 VanDerWaalsContact C-N 3.28Å; D768-S770 PolarHBondContact O-N 2.68Å; S770-T789 WeakPolarHBondContact CB-O 3.11Å; S770-T789 PolarHBondContact OG-O 3.34Å
771	P	85.5	Confident	72.2	Confident	34 Å²	34	89.2 Å²	89.2	22%	0.221	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-71.9	143.4	179.7	28.2	-33.2	0	0	0	111.3	P790 V791	P771-P790 HydrophobicContact CG-CB 4.07Å; P771-P790 CarbonylContact O-C 3.54Å; P771-P790 WeakPolarHBondContact O-CA 3.15Å; P771-V791 PolarHBondContact O-N 3.44Å
772	V	84.5	Confident	70.2	Confident	0 Å²	0	84.7 Å²	84.7	0%	0	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.4	-179.8	-175.8	0	0	0	0	110.7	M715 V717 L720 F774 V791 L793	M715-V772 PolarHBondContact O-N 3.39Å; V717-V772 HydrophobicContact CB-CG2 4.45Å; V717-V772 HydrophobicContact CG2-CG2 3.56Å; L720-V772 HydrophobicContact CD1-CB 3.84Å; L720-V772 HydrophobicContact CD1-CG1 3.83Å; L720-V772 HydrophobicContact CD1-CG2 3.72Å; V772-F774 HydrophobicContact CB-CE2 4.3Å; V772-F774 HydrophobicContact CG1-CD2 4.27Å; V772-F774 HydrophobicContact CG1-CE1 4.29Å; V772-F774 HydrophobicContact CG1-CE2 3.63Å; V772-F774 HydrophobicContact CG1-CZ 3.65Å; V772-V791 WeakPolarHBondContact CA-O 3.48Å; V772-V791 HydrophobicContact CG2-CB 4.25Å; V772-L793 HydrophobicContact CG1-CB 4.25Å; V772-L793 HydrophobicContact CG1-CD1 3.57Å; V772-L793 HydrophobicContact CG1-CG 3.83Å
773	H	84.7	Confident	68.3	Low	31 Å²	31	81.3 Å²	81.3	14%	0.144	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.1	-178.1	-60	-32.5	0	0	0	111.2	Y713 V791 N792 L793	Y713-H773 HydrophobicContact CD1-CB 4.31Å; Y713-H773 AromaticContact CD1-ND1 3.59Å; H773-V791 PolarHBondContact N-O 3.32Å; H773-N792 PolarHBondContact O-OD1 3.35Å; H773-L793 PolarHBondContact O-N 3.43Å
774	F	81.4	Confident	66.9	Low	0 Å²	0	87.6 Å²	87.6	0%	0	47%	0.471	C	S	.	.			trans	-103.8	-0.8	-176.8	-71	-76.1	0	0	0	114.2	V710 T711 Q712 L720 V734 L752 V772 L793 I796 V797	V710-F774 HydrophobicContact CG1-CD2 3.73Å; V710-F774 HydrophobicContact CG1-CE2 3.24Å; V710-F774 HydrophobicContact CG1-CZ 3.7Å; T711-F774 VanDerWaalsContact O-CD2 3.31Å; T711-F774 WeakPolarHBondContact O-CD2 3.45Å; Q712-F774 PolarHBondContact O-N 3.06Å; L720-F774 HydrophobicContact CD1-CE2 4.09Å; L720-F774 HydrophobicContact CD1-CZ 3.82Å; L720-F774 HydrophobicContact CD2-CE2 4.43Å; L720-F774 HydrophobicContact CD2-CZ 4.29Å; V734-F774 HydrophobicContact CG1-CB 3.95Å; V734-F774 HydrophobicContact CG1-CG 4.41Å; L752-F774 HydrophobicContact CD1-CE1 3.96Å; L752-F774 HydrophobicContact CD1-CZ 3.88Å; V772-F774 HydrophobicContact CB-CE2 4.3Å; V772-F774 HydrophobicContact CG1-CD2 4.27Å; V772-F774 HydrophobicContact CG1-CE1 4.29Å; V772-F774 HydrophobicContact CG1-CE2 3.63Å; V772-F774 HydrophobicContact CG1-CZ 3.65Å; F774-L793 HydrophobicContact CD1-CB 3.81Å; F774-L793 HydrophobicContact CE1-CB 3.67Å; F774-L793 HydrophobicContact CE1-CD1 3.88Å; F774-L793 HydrophobicContact CE1-CG 4.41Å; F774-L793 HydrophobicContact CZ-CB 4.48Å; F774-L793 HydrophobicContact CZ-CD1 4.1Å; F774-I796 HydrophobicContact CE1-CD1 4.45Å; F774-V797 HydrophobicContact CB-CG2 3.99Å; F774-V797 HydrophobicContact CD1-CG2 3.64Å; F774-V797 HydrophobicContact CG-CG2 4.27Å
775	A	76.4	Confident	65.6	Low	11 Å²	11	86.8 Å²	86.8	9%	0.091	47%	0.465	C	S	.	.	S	Bend	trans	-142.9	165.5	178.5	0	0	0	0	0	111	Q712 F777	Q712-A775 HydrophobicContact CG-CB 3.61Å; A775-F777 PolarHBondContact O-N 3.08Å
776	T	65.8	Low	64.5	Low	95 Å²	95	89.4 Å²	89.4	58%	0.583	47%	0.474	S	S	*	.			trans	-59.6	104.6	179.5	-57.3	0	0	0	0	110.3	Q778 Q794	T776-Q778 PolarHBondContact O-N 3.16Å; T776-Q794 VanDerWaalsContact OG1-CD 3.26Å; T776-Q794 PolarHBondContact OG1-NE2 3.3Å; T776-Q794 PolarHBondContact OG1-OE1 3.47Å
777	F	54.6	Low	63.4	Low	97 Å²	97	98.2 Å²	98.2	43%	0.425	52%	0.515	S	S	.	.			trans	-75.8	110.3	166.1	-165.1	-100.4	0	0	0	107.6	Y713 A775 Q779 V780	Y713-F777 HydrophobicContact CD1-CD2 4.13Å; Y713-F777 HydrophobicContact CE1-CB 4.29Å; Y713-F777 AromaticContact CE1-CD2 3.78Å; Y713-F777 HydrophobicContact CE1-CD2 3.78Å; A775-F777 PolarHBondContact O-N 3.08Å; F777-Q779 PolarHBondContact O-N 3.17Å; F777-V780 HydrophobicContact CZ-CB 4.45Å
778	Q	49.6	Very low	62.7	Low	171 Å²	171	97.6 Å²	97.6	80%	0.799	51%	0.508	S	S	*	.			trans	-70.4	112.1	165.9	-160.4	163.5	-3.9	0	0	105.2	T776 V780	T776-Q778 PolarHBondContact O-N 3.16Å; Q778-V780 VanDerWaalsContact C-N 3.32Å; Q778-V780 PolarHBondContact O-N 3.38Å
779	Q	45.3	Very low	62.2	Low	183 Å²	183	96.9 Å²	96.9	86%	0.855	51%	0.506	S	S	*	.			trans	-47.3	93.6	-176.7	-75.7	-178.3	-42.1	0	0	110.9	F777 Y781	F777-Q779 PolarHBondContact O-N 3.17Å; Q779-Y781 PolarHBondContact O-N 3.32Å
780	V	41.4	Very low	61.9	Low	107 Å²	107	95.1 Å²	95.1	65%	0.648	50%	0.501	S	S	*	.			trans	-85.1	104.5	160	179.2	0	0	0	0	103.4	F777 Q778 A782	F777-V780 HydrophobicContact CZ-CB 4.45Å; Q778-V780 VanDerWaalsContact C-N 3.32Å; Q778-V780 PolarHBondContact O-N 3.38Å; V780-A782 PolarHBondContact O-N 3.5Å
781	Y	40.9	Very low	61.8	Low	222 Å²	222	95.3 Å²	95.3	87%	0.871	50%	0.502	S	S	*	.			trans	14.3	95.3	169.6	-71.7	-91.3	0	0	0	114	Q779 D783	Q779-Y781 PolarHBondContact O-N 3.32Å; Y781-D783 VanDerWaalsContact C-N 3.32Å; Y781-D783 PolarHBondContact O-N 3.21Å
782	A	43.2	Very low	61.7	Low	89 Å²	89	97.9 Å²	97.9	74%	0.736	51%	0.514	S	S	*	.			trans	-60.3	104.7	159.3	0	0	0	0	0	106.3	V780 D784	V780-A782 PolarHBondContact O-N 3.5Å; A782-D784 PolarHBondContact O-N 3.01Å
783	D	42.2	Very low	61.7	Low	130 Å²	130	98 Å²	98	70%	0.695	52%	0.515	S	S	*	.			trans	-55	126.7	157.8	-108.4	-20.9	0	0	0	106.1	Y781 S785	Y781-D783 VanDerWaalsContact C-N 3.32Å; Y781-D783 PolarHBondContact O-N 3.21Å; D783-S785 PolarHBondContact O-N 3.48Å
784	D	48.9	Very low	61.6	Low	178 Å²	178	99 Å²	99	95%	0.952	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	15	178.8	-85	-31.9	0	0	0	113.7	A782	A782-D784 PolarHBondContact O-N 3.01Å
785	S	49.5	Very low	61.7	Low	93 Å²	93	103.4 Å²	103.4	65%	0.65	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	7.4	-175.8	58.3	0	0	0	0	115.3	D783	D783-S785 PolarHBondContact O-N 3.48Å
786	Q	52.1	Low	62.1	Low	160 Å²	160	104 Å²	104	75%	0.748	54%	0.544	S	S	*	.			trans	-96.5	106.1	169.5	-76.9	-175.3	-13.3	0	0	110.7	L788	Q786-L788 PolarHBondContact O-N 2.94Å; Q786-L788 VanDerWaalsContact O-N 3.16Å
787	E	55.6	Low	63	Low	200 Å²	200	100.1 Å²	100.1	94%	0.935	52%	0.521	S	S	*	.			trans	-67.8	-5.4	-179.8	-70.5	-174.9	157	0	0	114.6
788	L	64.8	Low	64.5	Low	65 Å²	65	98.6 Å²	98.6	34%	0.34	52%	0.517	S	S	.	.	S	Bend	trans	-111.2	125.8	-170.4	-74.1	139.8	0	0	0	111.6	V767 D769 Q786 P790	V767-L788 HydrophobicContact CB-CD2 4.16Å; V767-L788 HydrophobicContact CG2-CD2 3.8Å; D769-L788 HydrophobicContact CB-CD1 4.44Å; D769-L788 HydrophobicContact CB-CD2 4.36Å; Q786-L788 PolarHBondContact O-N 2.94Å; Q786-L788 VanDerWaalsContact O-N 3.16Å; L788-P790 WeakPolarHBondContact O-CD 2.99Å
789	T	71.7	Confident	66.3	Low	53 Å²	53	95.4 Å²	95.4	33%	0.325	51%	0.505	S	S	.	.			trans	-69.9	121.8	176.7	25.9	0	0	0	0	111.1	S770	S770-T789 WeakPolarHBondContact CB-O 3.11Å; S770-T789 PolarHBondContact OG-O 3.34Å
790	P	77.9	Confident	68.3	Low	78 Å²	78	91.1 Å²	91.1	51%	0.506	50%	0.496	S	S	.	.			trans	-73.7	138.4	177	28.1	-33.1	0	0	0	111.6	P771 L788	P771-P790 HydrophobicContact CG-CB 4.07Å; P771-P790 CarbonylContact O-C 3.54Å; P771-P790 WeakPolarHBondContact O-CA 3.15Å; L788-P790 WeakPolarHBondContact O-CD 2.99Å
791	V	81.2	Confident	70.5	Confident	4 Å²	4	87.1 Å²	87.1	2%	0.024	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.7	-179.5	-172.4	0	0	0	0	110.2	V717 E759 I766 P771 V772 H773 L793	V717-V791 HydrophobicContact CG2-CG2 4.05Å; E759-V791 HydrophobicContact CB-CG1 3.98Å; E759-V791 HydrophobicContact CG-CG1 3.77Å; I766-V791 HydrophobicContact CD1-CG2 3.86Å; I766-V791 HydrophobicContact CG1-CG2 4.08Å; I766-V791 HydrophobicContact CG2-CG2 3.68Å; P771-V791 PolarHBondContact O-N 3.44Å; V772-V791 WeakPolarHBondContact CA-O 3.48Å; V772-V791 HydrophobicContact CG2-CB 4.25Å; H773-V791 PolarHBondContact N-O 3.32Å; V791-L793 HydrophobicContact CG1-CD2 3.97Å; V791-L793 HydrophobicContact CG1-CG 4.05Å
792	N	83.8	Confident	72.9	Confident	89 Å²	89	79 Å²	79	48%	0.476	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	112.3	178.2	-170.2	-14.7	0	0	0	111.6	H773 Q794	H773-N792 PolarHBondContact O-OD1 3.35Å; N792-Q794 WeakPolarHBondContact OD1-CB 3.36Å; N792-Q794 PolarHBondContact OD1-N 3.2Å
793	L	84.1	Confident	75.3	Confident	3 Å²	3	78 Å²	78	2%	0.016	43%	0.43	C	S	.	.			trans	-111.4	21.4	-179.5	-64.4	-171.6	0	0	0	113.3	L752 A755 L756 E759 V772 H773 F774 V791 N795 I796	L752-L793 HydrophobicContact CD1-CD1 3.99Å; A755-L793 HydrophobicContact CB-CD2 3.64Å; L756-L793 HydrophobicContact CD2-CD1 3.97Å; L756-L793 HydrophobicContact CG-CD1 4.43Å; E759-L793 HydrophobicContact CG-CD2 4.37Å; V772-L793 HydrophobicContact CG1-CB 4.25Å; V772-L793 HydrophobicContact CG1-CD1 3.57Å; V772-L793 HydrophobicContact CG1-CG 3.83Å; H773-L793 PolarHBondContact O-N 3.43Å; F774-L793 HydrophobicContact CD1-CB 3.81Å; F774-L793 HydrophobicContact CE1-CB 3.67Å; F774-L793 HydrophobicContact CE1-CD1 3.88Å; F774-L793 HydrophobicContact CE1-CG 4.41Å; F774-L793 HydrophobicContact CZ-CB 4.48Å; F774-L793 HydrophobicContact CZ-CD1 4.1Å; V791-L793 HydrophobicContact CG1-CD2 3.97Å; V791-L793 HydrophobicContact CG1-CG 4.05Å; L793-N795 PolarHBondContact O-N 3.03Å; L793-N795 VanDerWaalsContact O-N 3.14Å; L793-I796 HydrophobicContact CB-CD1 4.05Å; L793-I796 HydrophobicContact CB-CG1 3.99Å; L793-I796 HydrophobicContact CD1-CD1 4.13Å; L793-I796 HydrophobicContact CG-CD1 4.49Å; L793-I796 WeakPolarHBondContact O-CG1 3.32Å; L793-I796 PolarHBondContact O-N 2.85Å
794	Q	84.2	Confident	77.8	Confident	51 Å²	51	72.2 Å²	72.2	24%	0.238	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-54.9	-35	177.2	-177.6	174.1	11.5	0	0	113.1	T776 N792 I796 V797	T776-Q794 VanDerWaalsContact OG1-CD 3.26Å; T776-Q794 PolarHBondContact OG1-NE2 3.3Å; T776-Q794 PolarHBondContact OG1-OE1 3.47Å; N792-Q794 WeakPolarHBondContact OD1-CB 3.36Å; N792-Q794 PolarHBondContact OD1-N 3.2Å; Q794-I796 PolarHBondContact O-N 3Å; Q794-I796 VanDerWaalsContact O-N 3.16Å; Q794-V797 PolarHBondContact O-N 3.41Å
795	N	81.7	Confident	80	Confident	93 Å²	93	66.4 Å²	66.4	50%	0.497	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-68.3	-15.6	-173.7	-63.3	-16.6	0	0	0	114.4	L793	L793-N795 PolarHBondContact O-N 3.03Å; L793-N795 VanDerWaalsContact O-N 3.14Å
796	I	85	Confident	82	Confident	22 Å²	22	62.3 Å²	62.3	11%	0.113	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-99.4	-5.9	178.6	60.9	162.1	0	0	0	113.2	V747 E751 L752 A755 F774 L793 Q794	V747-I796 HydrophobicContact CG2-CD1 3.64Å; V747-I796 HydrophobicContact CG2-CG1 4.1Å; E751-I796 HydrophobicContact CB-CB 4.35Å; L752-I796 HydrophobicContact CD1-CD1 4.14Å; A755-I796 HydrophobicContact CB-CD1 3.91Å; A755-I796 HydrophobicContact CB-CG2 4.08Å; F774-I796 HydrophobicContact CE1-CD1 4.45Å; L793-I796 HydrophobicContact CB-CD1 4.05Å; L793-I796 HydrophobicContact CB-CG1 3.99Å; L793-I796 HydrophobicContact CD1-CD1 4.13Å; L793-I796 HydrophobicContact CG-CD1 4.49Å; L793-I796 WeakPolarHBondContact O-CG1 3.32Å; L793-I796 PolarHBondContact O-N 2.85Å; Q794-I796 PolarHBondContact O-N 3Å; Q794-I796 VanDerWaalsContact O-N 3.16Å
797	V	86.4	Confident	83.8	Confident	15 Å²	15	60.1 Å²	60.1	9%	0.091	33%	0.333	C	S	.	.			trans	-86.5	125.5	-178	-177.1	0	0	0	0	109.7	V734 F774 Q794 L799	V734-V797 HydrophobicContact CG2-CG1 4.14Å; V734-V797 HydrophobicContact CG2-CG2 4.37Å; F774-V797 HydrophobicContact CB-CG2 3.99Å; F774-V797 HydrophobicContact CD1-CG2 3.64Å; F774-V797 HydrophobicContact CG-CG2 4.27Å; Q794-V797 PolarHBondContact O-N 3.41Å; V797-L799 HydrophobicContact CG1-CD2 4.11Å; V797-L799 PolarHBondContact O-N 2.68Å
798	D	85.2	Confident	85.6	Confident	65 Å²	65	51.6 Å²	51.6	35%	0.348	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-76.5	107.5	163.3	-178.6	5.1	0	0	0	108.5	G745 W746 S800 P801	G745-D798 CarbonylContact C-O 3.56Å; G745-D798 WeakPolarHBondContact CA-O 3.46Å; W746-D798 HydrophobicContact CB-CB 4.43Å; W746-D798 PolarHBondContact N-O 3.25Å; W746-D798 PolarHBondContact O-N 3.43Å; D798-S800 PolarHBondContact O-N 3.37Å; D798-S800 PolarHBondContact OD1-N 2.73Å; D798-S800 PolarHBondContact OD1-OG 3.36Å; D798-P801 WeakPolarHBondContact O-CD 3.05Å
799	L	87.4	Confident	86.8	Confident	103 Å²	103	51.5 Å²	51.5	54%	0.539	30%	0.298	S	S	.	.	S	Bend	trans	-76.9	-6.7	179.6	-63	170.6	0	0	0	112.9	V797	V797-L799 HydrophobicContact CG1-CD2 4.11Å; V797-L799 PolarHBondContact O-N 2.68Å
800	S	87	Confident	87.6	Confident	94 Å²	94	49 Å²	49	66%	0.657	28%	0.283	S	S	*	.	S	Bend	trans	-127.2	49.7	-175.7	55.6	0	0	0	0	113.1	D798	D798-S800 PolarHBondContact O-N 3.37Å; D798-S800 PolarHBondContact OD1-N 2.73Å; D798-S800 PolarHBondContact OD1-OG 3.36Å
801	P	88.9	Confident	87.9	Confident	22 Å²	22	51.4 Å²	51.4	14%	0.143	29%	0.287	C	S	.	.			trans	-64.7	144.6	179.6	30.9	-35.4	0	0	0	110.2	L743 W746 D798 T803 I826	L743-P801 HydrophobicContact CD2-CG 3.99Å; L743-P801 HydrophobicContact CG-CG 4.49Å; W746-P801 HydrophobicContact CB-CB 3.88Å; W746-P801 HydrophobicContact CB-CG 4.4Å; D798-P801 WeakPolarHBondContact O-CD 3.05Å; P801-T803 PolarHBondContact O-N 3.15Å; P801-I826 HydrophobicContact CB-CD1 3.65Å; P801-I826 HydrophobicContact CG-CD1 3.93Å
802	T	91.3	Very high	88.2	Confident	51 Å²	51	54 Å²	54	31%	0.313	30%	0.303	S	S	.	.			trans	-72.8	120.6	177.5	-49.4	0	0	0	0	110.4	L822 I826	T802-L822 HydrophobicContact CG2-CD1 3.69Å; T802-I826 PolarHBondContact O-N 3.45Å
803	T	93.4	Very high	88.5	Confident	68 Å²	68	49.8 Å²	49.8	42%	0.417	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.5	-178.5	56.6	0	0	0	0	112.3	L743 P801 I826 T828	L743-T803 HydrophobicContact CD2-CG2 3.43Å; L743-T803 VanDerWaalsContact CD2-CG2 3.43Å; P801-T803 PolarHBondContact O-N 3.15Å; T803-I826 CarbonylContact C-O 3.52Å; T803-I826 WeakPolarHBondContact CA-O 3.4Å; T803-I826 HydrophobicContact CG2-CB 4.24Å; T803-T828 HydrophobicContact CG2-CG2 3.77Å
804	V	94.4	Very high	88.5	Confident	10 Å²	10	50 Å²	50	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	159	169.6	-63.2	0	0	0	0	110.4	A693 F816 I825 I826 V827 T828	A693-V804 HydrophobicContact CB-CG2 4.28Å; V804-F816 HydrophobicContact CG1-CD2 3.86Å; V804-F816 HydrophobicContact CG1-CE2 3.76Å; V804-I825 HydrophobicContact CB-CG2 4.13Å; V804-I825 HydrophobicContact CG1-CG2 3.68Å; V804-I825 HydrophobicContact CG2-CG2 3.53Å; V804-I826 PolarHBondContact N-O 2.97Å; V804-V827 HydrophobicContact CG2-CG2 4Å; V804-V827 WeakPolarHBondContact O-CA 3.1Å; V804-T828 PolarHBondContact O-N 3.4Å; V804-T828 PolarHBondContact O-OG1 3.43Å
805	S	93.9	Very high	88.5	Confident	56 Å²	56	50.4 Å²	50.4	39%	0.392	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	154.6	172.7	70.3	0	0	0	0	110.9	H807 T808 T828	S805-H807 PolarHBondContact O-N 3.2Å; S805-T808 PolarHBondContact N-OG1 2.91Å; S805-T808 WeakPolarHBondContact O-CB 3.38Å; S805-T808 PolarHBondContact O-N 3.46Å; S805-T808 VanDerWaalsContact O-N 3.08Å; S805-T808 PolarHBondContact O-OG1 2.72Å; S805-T808 PolarHBondContact OG-N 3.22Å; S805-T808 PolarHBondContact OG-OG1 2.62Å; S805-T828 WeakPolarHBondContact CA-O 3.41Å
806	D	91.6	Very high	88.8	Confident	6 Å²	6	49.4 Å²	49.4	3%	0.032	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.1	178	64.1	-30.7	0	0	0	114	A694 R701 V827 T828 R829 L834	A694-D806 HydrophobicContact CB-CB 4.21Å; A694-D806 WeakPolarHBondContact CB-O 3.2Å; A694-D806 PolarHBondContact N-O 3.18Å; R701-D806 IonicContact NH2-OD2 3.42Å; R701-D806 PolarHBondContact NH2-OD2 3Å; D806-V827 HydrophobicContact CB-CG1 3.92Å; D806-T828 PolarHBondContact N-O 3.14Å; D806-R829 WeakPolarHBondContact OD2-CD 3.37Å; D806-R829 IonicContact OD2-CZ 3.64Å; D806-R829 IonicContact OD2-NE 2.66Å; D806-R829 PolarHBondContact OD2-NE 3.34Å; D806-L834 HydrophobicContact CB-CD1 3.96Å
807	H	91.3	Very high	88.8	Confident	115 Å²	115	48.9 Å²	48.9	53%	0.532	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	3.6	176.8	-61	-67.8	0	0	0	114.6	S805	S805-H807 PolarHBondContact O-N 3.2Å
808	T	91.9	Very high	88.4	Confident	20 Å²	20	50.6 Å²	50.6	12%	0.123	28%	0.28	C	S	.	.			trans	-65	129.6	-179.5	-59.1	0	0	0	0	109.8	V692 A693 S805 T812 V813	V692-T808 WeakPolarHBondContact CA-O 3.16Å; A693-T808 PolarHBondContact N-O 3.23Å; S805-T808 PolarHBondContact N-OG1 2.91Å; S805-T808 WeakPolarHBondContact O-CB 3.38Å; S805-T808 PolarHBondContact O-N 3.46Å; S805-T808 VanDerWaalsContact O-N 3.08Å; S805-T808 PolarHBondContact O-OG1 2.72Å; S805-T808 PolarHBondContact OG-N 3.22Å; S805-T808 PolarHBondContact OG-OG1 2.62Å; T808-T812 HydrophobicContact CG2-CG2 4.16Å; T808-V813 HydrophobicContact CG2-CG2 3.9Å
809	P	90.8	Very high	88.1	Confident	63 Å²	63	54.3 Å²	54.3	41%	0.409	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-64.6	145.3	177.4	26.6	-34.1	0	0	0	110.8	E811 T812 V813	P809-E811 PolarHBondContact O-N 2.71Å; P809-T812 PolarHBondContact O-N 3.17Å; P809-T812 VanDerWaalsContact O-N 3.15Å; P809-V813 PolarHBondContact O-N 3.46Å
810	M	87.3	Confident	87.8	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-65.8	-26.2	-173	-163.9	55.5	50.5	0	0	113.3	L687 L691 V692 A693 V696 T812 V813 L814	L687-M810 HydrophobicContact CB-CG 4.49Å; L687-M810 HydrophobicContact CD2-CB 4.24Å; L687-M810 HydrophobicContact CD2-CG 3.32Å; L687-M810 HydrophobicContact CG-CG 4.49Å; L691-M810 HydrophobicContact CB-CB 3.98Å; L691-M810 WeakPolarHBondContact O-CB 3.25Å; L691-M810 PolarHBondContact O-N 3.13Å; V692-M810 VanDerWaalsContact C-CE 3.41Å; V692-M810 WeakPolarHBondContact O-CE 3.43Å; A693-M810 VanDerWaalsContact CA-CE 3.48Å; V696-M810 HydrophobicContact CB-CE 3.83Å; V696-M810 HydrophobicContact CG2-CE 3.55Å; V696-M810 HydrophobicContact CG2-SD 4.34Å; M810-T812 VanDerWaalsContact C-N 3.35Å; M810-T812 PolarHBondContact O-N 2.9Å; M810-V813 PolarHBondContact O-N 3.34Å; M810-V813 HydrophobicContact SD-CB 3.87Å; M810-V813 HydrophobicContact SD-CG1 3.92Å; M810-V813 HydrophobicContact SD-CG2 4.38Å; M810-L814 HydrophobicContact CG-CD1 4.4Å; M810-L814 HydrophobicContact CG-CG 4.45Å; M810-L814 WeakPolarHBondContact O-CB 3.44Å; M810-L814 VanDerWaalsContact O-CG 3.25Å; M810-L814 WeakPolarHBondContact O-CG 3.28Å; M810-L814 PolarHBondContact O-N 2.96Å
811	E	84.2	Confident	87.3	Confident	128 Å²	128	49.7 Å²	49.7	60%	0.598	26%	0.264	S	S	*	.	H	α-helix	trans	-58.3	-46.2	173.5	-169.6	-179.5	-179.5	0	0	111.6	P809 V813 L814 D815	P809-E811 PolarHBondContact O-N 2.71Å; E811-V813 VanDerWaalsContact C-N 3.35Å; E811-V813 PolarHBondContact O-N 2.96Å; E811-L814 WeakPolarHBondContact O-CB 3.42Å; E811-L814 PolarHBondContact O-N 2.91Å; E811-D815 PolarHBondContact O-N 2.91Å
812	T	88.7	Confident	87	Confident	58 Å²	58	49.3 Å²	49.3	36%	0.356	26%	0.26	S	S	.	.	H	α-helix	trans	-65.1	-39.3	176.7	-53.7	0	0	0	0	111.7	T808 P809 M810 D815 F816	T808-T812 HydrophobicContact CG2-CG2 4.16Å; P809-T812 PolarHBondContact O-N 3.17Å; P809-T812 VanDerWaalsContact O-N 3.15Å; M810-T812 VanDerWaalsContact C-N 3.35Å; M810-T812 PolarHBondContact O-N 2.9Å; T812-D815 WeakPolarHBondContact O-CB 3.47Å; T812-D815 PolarHBondContact O-N 3.02Å; T812-F816 HydrophobicContact CG2-CD2 4.41Å; T812-F816 HydrophobicContact CG2-CE2 3.93Å; T812-F816 HydrophobicContact CG2-CZ 4.31Å; T812-F816 WeakPolarHBondContact O-CD2 3.29Å; T812-F816 PolarHBondContact O-N 3.38Å
813	V	89.4	Confident	86.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-44.8	176.2	176.9	0	0	0	0	110.8	A693 T808 P809 M810 E811 D815 F816 F817 I825 L837 I842	A693-V813 HydrophobicContact CB-CG2 4.21Å; T808-V813 HydrophobicContact CG2-CG2 3.9Å; P809-V813 PolarHBondContact O-N 3.46Å; M810-V813 PolarHBondContact O-N 3.34Å; M810-V813 HydrophobicContact SD-CB 3.87Å; M810-V813 HydrophobicContact SD-CG1 3.92Å; M810-V813 HydrophobicContact SD-CG2 4.38Å; E811-V813 VanDerWaalsContact C-N 3.35Å; E811-V813 PolarHBondContact O-N 2.96Å; V813-D815 VanDerWaalsContact C-N 3.3Å; V813-D815 PolarHBondContact O-N 3.38Å; V813-F816 WeakPolarHBondContact O-CB 3.39Å; V813-F816 PolarHBondContact O-N 3.02Å; V813-F817 HydrophobicContact CG1-CD2 3.96Å; V813-F817 HydrophobicContact CG1-CE2 3.81Å; V813-F817 VanDerWaalsContact O-CD2 3.29Å; V813-F817 WeakPolarHBondContact O-CD2 3.17Å; V813-F817 PolarHBondContact O-N 3.28Å; V813-F817 VanDerWaalsContact O-N 3.07Å; V813-I825 HydrophobicContact CG1-CD1 4.19Å; V813-L837 HydrophobicContact CG1-CD1 4.08Å; V813-I842 HydrophobicContact CG1-CD1 4.29Å
814	L	85.1	Confident	86.5	Confident	7 Å²	7	47.5 Å²	47.5	4%	0.037	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-42	175.4	-74.4	164.9	0	0	0	111.4	L681 L687 M810 E811 F816 F817 K818 I842	L681-L814 HydrophobicContact CD1-CD2 3.93Å; L681-L814 HydrophobicContact CD2-CD2 3.82Å; L681-L814 HydrophobicContact CG-CD2 4.23Å; L687-L814 HydrophobicContact CB-CD1 4.09Å; L687-L814 HydrophobicContact CD1-CD1 3.77Å; L687-L814 HydrophobicContact CD2-CD1 4.35Å; L687-L814 HydrophobicContact CG-CD1 4.28Å; M810-L814 HydrophobicContact CG-CD1 4.4Å; M810-L814 HydrophobicContact CG-CG 4.45Å; M810-L814 WeakPolarHBondContact O-CB 3.44Å; M810-L814 VanDerWaalsContact O-CG 3.25Å; M810-L814 WeakPolarHBondContact O-CG 3.28Å; M810-L814 PolarHBondContact O-N 2.96Å; E811-L814 WeakPolarHBondContact O-CB 3.42Å; E811-L814 PolarHBondContact O-N 2.91Å; L814-F816 VanDerWaalsContact C-N 3.32Å; L814-F816 PolarHBondContact O-N 3.12Å; L814-F817 PolarHBondContact O-N 2.92Å; L814-K818 WeakPolarHBondContact O-CB 3.36Å; L814-K818 VanDerWaalsContact O-CG 3.31Å; L814-K818 WeakPolarHBondContact O-CG 3.36Å; L814-K818 PolarHBondContact O-N 3.11Å; L814-I842 HydrophobicContact CD2-CD1 4.34Å; L814-I842 HydrophobicContact CD2-CG2 3.47Å; L814-I842 VanDerWaalsContact CD2-CG2 3.47Å
815	D	84.2	Confident	86.3	Confident	61 Å²	61	47 Å²	47	33%	0.326	24%	0.239	S	C	.	.	H	α-helix	trans	-61.4	-39.8	175.9	-103.5	12.1	0	0	0	112.3	E811 T812 V813 K818 K819	E811-D815 PolarHBondContact O-N 2.91Å; T812-D815 WeakPolarHBondContact O-CB 3.47Å; T812-D815 PolarHBondContact O-N 3.02Å; V813-D815 VanDerWaalsContact C-N 3.3Å; V813-D815 PolarHBondContact O-N 3.38Å; D815-K818 PolarHBondContact O-N 2.99Å; D815-K819 VanDerWaalsContact O-CB 3.24Å; D815-K819 WeakPolarHBondContact O-CB 3.38Å; D815-K819 WeakPolarHBondContact O-CG 3.49Å; D815-K819 PolarHBondContact O-N 3.1Å; D815-K819 IonicContact OD1-NZ 2.83Å; D815-K819 IonicContact OD2-NZ 3.39Å; D815-K819 PolarHBondContact OD2-NZ 2.92Å
816	F	88.1	Confident	86.3	Confident	72 Å²	72	44.4 Å²	44.4	32%	0.316	22%	0.22	S	C	.	.	H	α-helix	trans	-61.4	-48.2	172.1	-73.1	-44.8	0	0	0	111.7	V804 T812 V813 L814 K818 L820 L822 I825	V804-F816 HydrophobicContact CG1-CD2 3.86Å; V804-F816 HydrophobicContact CG1-CE2 3.76Å; T812-F816 HydrophobicContact CG2-CD2 4.41Å; T812-F816 HydrophobicContact CG2-CE2 3.93Å; T812-F816 HydrophobicContact CG2-CZ 4.31Å; T812-F816 WeakPolarHBondContact O-CD2 3.29Å; T812-F816 PolarHBondContact O-N 3.38Å; V813-F816 WeakPolarHBondContact O-CB 3.39Å; V813-F816 PolarHBondContact O-N 3.02Å; L814-F816 VanDerWaalsContact C-N 3.32Å; L814-F816 PolarHBondContact O-N 3.12Å; F816-K818 VanDerWaalsContact C-N 3.34Å; F816-K818 PolarHBondContact O-N 3.28Å; F816-L820 HydrophobicContact CD1-CD1 3.75Å; F816-L820 HydrophobicContact CE1-CD1 4.46Å; F816-L820 VanDerWaalsContact O-CB 3.31Å; F816-L820 WeakPolarHBondContact O-CB 3.48Å; F816-L820 PolarHBondContact O-N 3.24Å; F816-L822 HydrophobicContact CB-CD1 4.04Å; F816-I825 HydrophobicContact CB-CD1 3.74Å; F816-I825 HydrophobicContact CD2-CD1 4.44Å
817	F	84.7	Confident	86.5	Confident	10 Å²	10	44.1 Å²	44.1	4%	0.044	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-42.2	177	-82.7	-73.2	0	0	0	112.6	L681 V813 L814 G821 L822 I825 L837 K839 I842	L681-F817 HydrophobicContact CD2-CB 4.2Å; V813-F817 HydrophobicContact CG1-CD2 3.96Å; V813-F817 HydrophobicContact CG1-CE2 3.81Å; V813-F817 VanDerWaalsContact O-CD2 3.29Å; V813-F817 WeakPolarHBondContact O-CD2 3.17Å; V813-F817 PolarHBondContact O-N 3.28Å; V813-F817 VanDerWaalsContact O-N 3.07Å; L814-F817 PolarHBondContact O-N 2.92Å; F817-G821 WeakPolarHBondContact O-CA 3.28Å; F817-G821 PolarHBondContact O-N 3.06Å; F817-L822 HydrophobicContact CD1-CB 4.14Å; F817-L822 WeakPolarHBondContact CD1-O 3.33Å; F817-L822 HydrophobicContact CE1-CB 4.24Å; F817-L822 WeakPolarHBondContact CE1-O 3.39Å; F817-I825 HydrophobicContact CD2-CD1 3.73Å; F817-I825 HydrophobicContact CD2-CG1 4.48Å; F817-I825 HydrophobicContact CE1-CD1 4.49Å; F817-I825 HydrophobicContact CE1-CG1 4.27Å; F817-I825 HydrophobicContact CE2-CB 4.28Å; F817-I825 HydrophobicContact CE2-CD1 3.4Å; F817-I825 VanDerWaalsContact CE2-CD1 3.4Å; F817-I825 HydrophobicContact CE2-CG1 3.8Å; F817-I825 HydrophobicContact CG-CD1 4.4Å; F817-I825 HydrophobicContact CZ-CB 4.11Å; F817-I825 HydrophobicContact CZ-CD1 3.83Å; F817-I825 HydrophobicContact CZ-CG1 3.67Å; F817-L837 HydrophobicContact CE2-CB 4.31Å; F817-L837 HydrophobicContact CZ-CB 4.29Å; F817-L837 WeakPolarHBondContact CZ-O 3.34Å; F817-K839 HydrophobicContact CD1-CB 4.4Å; F817-I842 HydrophobicContact CD2-CD1 3.28Å; F817-I842 HydrophobicContact CE2-CD1 3.33Å; F817-I842 HydrophobicContact CG-CD1 4.13Å; F817-I842 HydrophobicContact CZ-CD1 4.21Å
818	K	77.1	Confident	86.6	Confident	52 Å²	52	39.6 Å²	39.6	23%	0.226	20%	0.199	C	C	.	.	H	α-helix	trans	-71.5	-50.2	-178	-73.3	174.9	177.8	175.4	0	112.4	L681 G682 S683 L814 D815 F816	L681-K818 HydrophobicContact CD2-CG 3.9Å; G682-K818 WeakPolarHBondContact O-CE 3.16Å; G682-K818 PolarHBondContact O-NZ 3.49Å; S683-K818 PolarHBondContact O-NZ 3.45Å; L814-K818 WeakPolarHBondContact O-CB 3.36Å; L814-K818 VanDerWaalsContact O-CG 3.31Å; L814-K818 WeakPolarHBondContact O-CG 3.36Å; L814-K818 PolarHBondContact O-N 3.11Å; D815-K818 PolarHBondContact O-N 2.99Å; F816-K818 VanDerWaalsContact C-N 3.34Å; F816-K818 PolarHBondContact O-N 3.28Å
819	K	79.6	Confident	86.6	Confident	142 Å²	142	44.3 Å²	44.3	62%	0.617	22%	0.215	S	C	*	.	H	α-helix	trans	-81.1	-41.4	-171.2	-67.7	172.8	176.2	162.8	0	112.7	D815	D815-K819 VanDerWaalsContact O-CB 3.24Å; D815-K819 WeakPolarHBondContact O-CB 3.38Å; D815-K819 WeakPolarHBondContact O-CG 3.49Å; D815-K819 PolarHBondContact O-N 3.1Å; D815-K819 IonicContact OD1-NZ 2.83Å; D815-K819 IonicContact OD2-NZ 3.39Å; D815-K819 PolarHBondContact OD2-NZ 2.92Å
820	L	80.1	Confident	86.6	Confident	90 Å²	90	48.4 Å²	48.4	47%	0.471	23%	0.233	S	C	.	.	H	α-helix	trans	-90.6	-16.9	-178.3	-62	173.5	0	0	0	112.5	F816 L822	F816-L820 HydrophobicContact CD1-CD1 3.75Å; F816-L820 HydrophobicContact CE1-CD1 4.46Å; F816-L820 VanDerWaalsContact O-CB 3.31Å; F816-L820 WeakPolarHBondContact O-CB 3.48Å; F816-L820 PolarHBondContact O-N 3.24Å; L820-L822 HydrophobicContact CB-CD1 4.31Å; L820-L822 HydrophobicContact CB-CD2 3.87Å; L820-L822 HydrophobicContact CB-CG 3.78Å; L820-L822 HydrophobicContact CD1-CD1 4.1Å; L820-L822 HydrophobicContact CD1-CD2 4.46Å; L820-L822 HydrophobicContact CD1-CG 4.41Å
821	G	77.8	Confident	86.6	Confident	11 Å²	11	50 Å²	50	11%	0.113	25%	0.25	C	C	.	.			trans	65.5	44	-176	0	0	0	0	0	111.5	W135 F817	W135-G821 VanDerWaalsContact CD1-CA 3.4Å; F817-G821 WeakPolarHBondContact O-CA 3.28Å; F817-G821 PolarHBondContact O-N 3.06Å
822	L	83	Confident	86.9	Confident	14 Å²	14	45.3 Å²	45.3	7%	0.073	23%	0.231	C	C	.	.			trans	-72.6	143.9	-179.9	-57.6	176.8	0	0	0	110.5	V136 T802 F816 F817 L820 I825	V136-L822 HydrophobicContact CG2-CD2 3.57Å; T802-L822 HydrophobicContact CG2-CD1 3.69Å; F816-L822 HydrophobicContact CB-CD1 4.04Å; F817-L822 HydrophobicContact CD1-CB 4.14Å; F817-L822 WeakPolarHBondContact CD1-O 3.33Å; F817-L822 HydrophobicContact CE1-CB 4.24Å; F817-L822 WeakPolarHBondContact CE1-O 3.39Å; L820-L822 HydrophobicContact CB-CD1 4.31Å; L820-L822 HydrophobicContact CB-CD2 3.87Å; L820-L822 HydrophobicContact CB-CG 3.78Å; L820-L822 HydrophobicContact CD1-CD1 4.1Å; L820-L822 HydrophobicContact CD1-CD2 4.46Å; L820-L822 HydrophobicContact CD1-CG 4.41Å; L822-I825 HydrophobicContact CB-CG1 4.28Å; L822-I825 HydrophobicContact CD1-CD1 3.75Å; L822-I825 HydrophobicContact CD1-CG1 3.59Å
823	R	83.1	Confident	87.1	Confident	46 Å²	46	43.2 Å²	43.2	17%	0.174	22%	0.218	C	C	.	.	S	Bend	trans	-83	-41.5	171.2	-176.5	-175.7	176.2	172.9	5	111.2	E131 K730	E131-R823 IonicContact OE1-NH2 2.81Å; K730-R823 VanDerWaalsContact CD-NH2 3.35Å
824	Q	89.4	Confident	87.2	Confident	35 Å²	35	46 Å²	46	16%	0.164	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	157.3	176.2	63.7	-83.9	-12.2	0	0	111.3	W746 V836 L837 T838	W746-Q824 HydrophobicContact CD2-CG 4.46Å; W746-Q824 HydrophobicContact CH2-CG 4.17Å; W746-Q824 HydrophobicContact CZ2-CG 3.76Å; Q824-V836 HydrophobicContact CB-CG1 3.86Å; Q824-V836 HydrophobicContact CG-CG1 4.47Å; Q824-L837 CarbonylContact C-O 3.47Å; Q824-L837 VanDerWaalsContact CA-O 3.23Å; Q824-L837 WeakPolarHBondContact CA-O 3.2Å; Q824-T838 HydrophobicContact CB-CG2 4.41Å
825	I	92.2	Very high	87.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134	170.6	-65.3	179.3	0	0	0	107.6	V804 V813 F816 F817 L822 L837	V804-I825 HydrophobicContact CB-CG2 4.13Å; V804-I825 HydrophobicContact CG1-CG2 3.68Å; V804-I825 HydrophobicContact CG2-CG2 3.53Å; V813-I825 HydrophobicContact CG1-CD1 4.19Å; F816-I825 HydrophobicContact CB-CD1 3.74Å; F816-I825 HydrophobicContact CD2-CD1 4.44Å; F817-I825 HydrophobicContact CD2-CD1 3.73Å; F817-I825 HydrophobicContact CD2-CG1 4.48Å; F817-I825 HydrophobicContact CE1-CD1 4.49Å; F817-I825 HydrophobicContact CE1-CG1 4.27Å; F817-I825 HydrophobicContact CE2-CB 4.28Å; F817-I825 HydrophobicContact CE2-CD1 3.4Å; F817-I825 VanDerWaalsContact CE2-CD1 3.4Å; F817-I825 HydrophobicContact CE2-CG1 3.8Å; F817-I825 HydrophobicContact CG-CD1 4.4Å; F817-I825 HydrophobicContact CZ-CB 4.11Å; F817-I825 HydrophobicContact CZ-CD1 3.83Å; F817-I825 HydrophobicContact CZ-CG1 3.67Å; L822-I825 HydrophobicContact CB-CG1 4.28Å; L822-I825 HydrophobicContact CD1-CD1 3.75Å; L822-I825 HydrophobicContact CD1-CG1 3.59Å; I825-L837 HydrophobicContact CB-CB 4.43Å; I825-L837 PolarHBondContact N-O 3.15Å; I825-L837 PolarHBondContact O-N 3.17Å
826	I	93.3	Very high	87.8	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.6	176.6	-54.8	176.2	0	0	0	108.7	P733 L743 W746 P801 T802 T803 V804 T828 P833	P733-I826 HydrophobicContact CB-CD1 4.35Å; L743-I826 HydrophobicContact CD1-CD1 3.94Å; L743-I826 HydrophobicContact CD2-CD1 4.02Å; L743-I826 HydrophobicContact CD2-CG2 4.16Å; W746-I826 HydrophobicContact CB-CD1 4.42Å; W746-I826 HydrophobicContact CD2-CD1 4.48Å; W746-I826 HydrophobicContact CE3-CD1 3.7Å; W746-I826 HydrophobicContact CE3-CG1 4.14Å; W746-I826 HydrophobicContact CZ3-CD1 4.39Å; W746-I826 HydrophobicContact CZ3-CG1 4.42Å; P801-I826 HydrophobicContact CB-CD1 3.65Å; P801-I826 HydrophobicContact CG-CD1 3.93Å; T802-I826 PolarHBondContact O-N 3.45Å; T803-I826 CarbonylContact C-O 3.52Å; T803-I826 WeakPolarHBondContact CA-O 3.4Å; T803-I826 HydrophobicContact CG2-CB 4.24Å; V804-I826 PolarHBondContact N-O 2.97Å; I826-T828 HydrophobicContact CG2-CG2 3.92Å; I826-P833 HydrophobicContact CG2-CB 3.88Å
827	V	94.6	Very high	88	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.8	173.5	-174.8	0	0	0	0	108.2	A693 M697 V804 D806 L834 G835 L837	A693-V827 HydrophobicContact CB-CG1 4.36Å; A693-V827 HydrophobicContact CB-CG2 4.21Å; M697-V827 HydrophobicContact CB-CB 4.48Å; M697-V827 HydrophobicContact CB-CG2 3.85Å; M697-V827 HydrophobicContact SD-CB 3.6Å; M697-V827 VanDerWaalsContact SD-CB 3.6Å; M697-V827 HydrophobicContact SD-CG1 3.59Å; M697-V827 VanDerWaalsContact SD-CG1 3.59Å; M697-V827 HydrophobicContact SD-CG2 3.97Å; V804-V827 HydrophobicContact CG2-CG2 4Å; V804-V827 WeakPolarHBondContact O-CA 3.1Å; D806-V827 HydrophobicContact CB-CG1 3.92Å; V827-L834 PolarHBondContact O-N 3.44Å; V827-G835 PolarHBondContact N-O 3.48Å; V827-G835 PolarHBondContact O-N 3.04Å; V827-L837 HydrophobicContact CG2-CD1 3.46Å; V827-L837 VanDerWaalsContact CG2-CD1 3.46Å; V827-L837 HydrophobicContact CG2-CG 4.03Å
828	T	93.9	Very high	88.1	Confident	19 Å²	19	41.7 Å²	41.7	12%	0.117	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	150.6	-176.4	62.4	0	0	0	0	111.4	L743 T803 V804 S805 D806 I826 C832	L743-T828 HydrophobicContact CD2-CG2 4.02Å; T803-T828 HydrophobicContact CG2-CG2 3.77Å; V804-T828 PolarHBondContact O-N 3.4Å; V804-T828 PolarHBondContact O-OG1 3.43Å; S805-T828 WeakPolarHBondContact CA-O 3.41Å; D806-T828 PolarHBondContact N-O 3.14Å; I826-T828 HydrophobicContact CG2-CG2 3.92Å; T828-C832 CarbonylContact C-O 3.22Å; T828-C832 WeakPolarHBondContact CA-O 3.02Å
829	R	92.3	Very high	88.3	Confident	120 Å²	120	40.6 Å²	40.6	45%	0.453	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	117.4	168.7	-170.6	177.1	-157	-172.2	4.9	108.3	D806 G831 C832 L834	D806-R829 WeakPolarHBondContact OD2-CD 3.37Å; D806-R829 IonicContact OD2-CZ 3.64Å; D806-R829 IonicContact OD2-NE 2.66Å; D806-R829 PolarHBondContact OD2-NE 3.34Å; R829-G831 PolarHBondContact O-N 2.02Å; R829-C832 PolarHBondContact N-O 3.37Å; R829-C832 PolarHBondContact O-N 3.1Å; R829-L834 HydrophobicContact CB-CD1 3.54Å; R829-L834 HydrophobicContact CB-CG 4.03Å; R829-L834 HydrophobicContact CG-CD1 4.49Å
830	N	89.7	Confident	88.3	Confident	149 Å²	149	38 Å²	38	80%	0.797	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	37.8	-176.7	-56.6	-18.6	0	0	0	113.5	Y742 C832	Y742-N830 WeakPolarHBondContact CE1-O 3.03Å; N830-C832 VanDerWaalsContact C-N 3.29Å; N830-C832 PolarHBondContact O-N 3.36Å
831	G	87.4	Confident	88.4	Confident	35 Å²	35	34.6 Å²	34.6	36%	0.361	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-7	-178.6	0	0	0	0	0	115.2	L743 R829	L743-G831 PolarHBondContact N-O 3.16Å; R829-G831 PolarHBondContact O-N 2.02Å
832	C	91.8	Very high	88.6	Confident	30 Å²	30	34 Å²	34	20%	0.203	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.4	176.2	-55	0	0	0	0	111.3	P741 T828 R829 N830 L834	P741-C832 HydrophobicContact CG-CB 4.43Å; P741-C832 WeakPolarHBondContact O-CA 3.44Å; P741-C832 WeakPolarHBondContact O-CB 3.05Å; P741-C832 PolarHBondContact O-SG 3.43Å; T828-C832 CarbonylContact C-O 3.22Å; T828-C832 WeakPolarHBondContact CA-O 3.02Å; R829-C832 PolarHBondContact N-O 3.37Å; R829-C832 PolarHBondContact O-N 3.1Å; N830-C832 VanDerWaalsContact C-N 3.29Å; N830-C832 PolarHBondContact O-N 3.36Å; C832-L834 PolarHBondContact O-N 3.08Å
833	P	92.3	Very high	88.4	Confident	14 Å²	14	35 Å²	35	9%	0.091	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	123.4	177.7	30.6	-28.6	0	0	0	110.1	L707 P733 V735 P741 L743 I826	L707-P833 HydrophobicContact CD2-CB 4.11Å; L707-P833 HydrophobicContact CD2-CG 4.43Å; L707-P833 WeakPolarHBondContact CD2-O 3.32Å; P733-P833 HydrophobicContact CB-CB 4.41Å; P733-P833 HydrophobicContact CB-CG 4.47Å; V735-P833 HydrophobicContact CG1-CG 3.63Å; P741-P833 WeakPolarHBondContact O-CD 3.46Å; L743-P833 HydrophobicContact CD1-CB 4.36Å; L743-P833 HydrophobicContact CD1-CG 4.37Å; I826-P833 HydrophobicContact CG2-CB 3.88Å
834	L	91	Very high	88.1	Confident	59 Å²	59	40 Å²	40	31%	0.309	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-34.2	176.7	-67.7	179.1	0	0	0	112.3	M697 D806 V827 R829 C832	M697-L834 HydrophobicContact CE-CB 3.86Å; M697-L834 HydrophobicContact CE-CD1 4.49Å; M697-L834 HydrophobicContact SD-CB 4.08Å; D806-L834 HydrophobicContact CB-CD1 3.96Å; V827-L834 PolarHBondContact O-N 3.44Å; R829-L834 HydrophobicContact CB-CD1 3.54Å; R829-L834 HydrophobicContact CB-CG 4.03Å; R829-L834 HydrophobicContact CG-CD1 4.49Å; C832-L834 PolarHBondContact O-N 3.08Å
835	G	91.6	Very high	87.5	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	172.9	-176.5	0	0	0	0	0	112.4	H698 V827	H698-G835 CarbonylContact O-C 3.5Å; H698-G835 WeakPolarHBondContact O-CA 3.44Å; V827-G835 PolarHBondContact N-O 3.48Å; V827-G835 PolarHBondContact O-N 3.04Å
836	V	91.8	Very high	86.6	Confident	16 Å²	16	39.7 Å²	39.7	10%	0.097	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.3	177.4	-176.2	0	0	0	0	108	H698 L707 W746 Q824 T838	H698-V836 PolarHBondContact N-O 3.26Å; H698-V836 PolarHBondContact O-N 3.1Å; L707-V836 HydrophobicContact CD1-CG2 4.17Å; W746-V836 HydrophobicContact CH2-CG1 4.01Å; W746-V836 HydrophobicContact CH2-CG2 4.16Å; W746-V836 HydrophobicContact CZ3-CG1 4.24Å; W746-V836 HydrophobicContact CZ3-CG2 3.76Å; Q824-V836 HydrophobicContact CB-CG1 3.86Å; Q824-V836 HydrophobicContact CG-CG1 4.47Å; V836-T838 HydrophobicContact CG1-CG2 4.46Å
837	L	90.8	Very high	85.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.3	170.8	-81.9	158.6	0	0	0	108.7	A693 V696 M697 V813 F817 Q824 I825 V827 I842	A693-L837 HydrophobicContact CB-CD1 4.09Å; V696-L837 HydrophobicContact CB-CD2 3.82Å; V696-L837 HydrophobicContact CG1-CD2 3.71Å; M697-L837 HydrophobicContact CB-CD1 4.38Å; M697-L837 HydrophobicContact CB-CD2 4.23Å; M697-L837 HydrophobicContact CB-CG 3.87Å; V813-L837 HydrophobicContact CG1-CD1 4.08Å; F817-L837 HydrophobicContact CE2-CB 4.31Å; F817-L837 HydrophobicContact CZ-CB 4.29Å; F817-L837 WeakPolarHBondContact CZ-O 3.34Å; Q824-L837 CarbonylContact C-O 3.47Å; Q824-L837 VanDerWaalsContact CA-O 3.23Å; Q824-L837 WeakPolarHBondContact CA-O 3.2Å; I825-L837 HydrophobicContact CB-CB 4.43Å; I825-L837 PolarHBondContact N-O 3.15Å; I825-L837 PolarHBondContact O-N 3.17Å; V827-L837 HydrophobicContact CG2-CD1 3.46Å; V827-L837 VanDerWaalsContact CG2-CD1 3.46Å; V827-L837 HydrophobicContact CG2-CG 4.03Å; L837-I842 HydrophobicContact CD2-CG1 4.47Å
838	T	87.6	Confident	84.1	Confident	43 Å²	43	54 Å²	54	26%	0.264	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	161.1	167.9	75.1	0	0	0	0	110.9	Q824 V836 K840 D841 I842	Q824-T838 HydrophobicContact CB-CG2 4.41Å; V836-T838 HydrophobicContact CG1-CG2 4.46Å; T838-K840 PolarHBondContact O-N 3.12Å; T838-K840 VanDerWaalsContact O-N 3.15Å; T838-K840 PolarHBondContact OG1-N 3Å; T838-D841 WeakPolarHBondContact CB-OD2 3.34Å; T838-D841 PolarHBondContact N-OD2 3.34Å; T838-D841 PolarHBondContact O-N 3.36Å; T838-D841 PolarHBondContact OG1-N 3.38Å; T838-D841 PolarHBondContact OG1-OD2 2.88Å; T838-I842 PolarHBondContact O-N 3.14Å
839	K	80.4	Confident	82.6	Confident	29 Å²	29	58 Å²	58	13%	0.126	28%	0.277	C	S	.	.	H	α-helix	trans	-54.3	-34.4	174.1	-168	-178.6	-175.7	-172.7	0	112.1	G289 P679 F817 L843	G289-K839 PolarHBondContact O-NZ 3.45Å; P679-K839 PolarHBondContact O-NZ 3.48Å; F817-K839 HydrophobicContact CD1-CB 4.4Å; K839-L843 HydrophobicContact CG-CD1 4.23Å; K839-L843 WeakPolarHBondContact O-CD1 3.11Å; K839-L843 WeakPolarHBondContact O-CG 3.36Å; K839-L843 PolarHBondContact O-N 3.39Å; K839-L843 VanDerWaalsContact O-N 3.11Å
840	K	80	Confident	80.8	Confident	87 Å²	87	57.1 Å²	57.1	38%	0.378	28%	0.277	S	S	.	.	H	α-helix	trans	-69.4	-35.6	179.3	-68.7	-173.8	179.9	-175.4	0	112.2	T838 L843 R844	T838-K840 PolarHBondContact O-N 3.12Å; T838-K840 VanDerWaalsContact O-N 3.15Å; T838-K840 PolarHBondContact OG1-N 3Å; K840-L843 PolarHBondContact O-N 3.45Å; K840-R844 WeakPolarHBondContact O-CB 3.34Å; K840-R844 WeakPolarHBondContact O-CG 3.42Å; K840-R844 PolarHBondContact O-N 3.29Å
841	D	81.8	Confident	78.3	Confident	18 Å²	18	54.8 Å²	54.8	10%	0.096	27%	0.269	C	S	.	.	H	α-helix	trans	-69.2	-43	-179.1	-54.5	-40.1	0	0	0	110.7	H698 T838 L843 R844 H845	H698-D841 VanDerWaalsContact CD2-CG 3.48Å; H698-D841 IonicContact CD2-OD1 3.9Å; H698-D841 PolarHBondContact CD2-OD1 3.48Å; H698-D841 IonicContact CD2-OD2 3.55Å; H698-D841 IonicContact NE2-OD1 2.75Å; T838-D841 WeakPolarHBondContact CB-OD2 3.34Å; T838-D841 PolarHBondContact N-OD2 3.34Å; T838-D841 PolarHBondContact O-N 3.36Å; T838-D841 PolarHBondContact OG1-N 3.38Å; T838-D841 PolarHBondContact OG1-OD2 2.88Å; D841-L843 PolarHBondContact O-N 3.16Å; D841-R844 PolarHBondContact O-N 3.26Å; D841-H845 WeakPolarHBondContact O-CB 3.31Å; D841-H845 PolarHBondContact O-N 3.48Å
842	I	82.2	Confident	75.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.9	-51.1	171.7	-64.8	176	0	0	0	110.1	L681 V696 V813 L814 F817 L837 T838 R844 H845 V846	L681-I842 HydrophobicContact CD1-CG2 3.79Å; V696-I842 HydrophobicContact CG1-CG1 4.39Å; V813-I842 HydrophobicContact CG1-CD1 4.29Å; L814-I842 HydrophobicContact CD2-CD1 4.34Å; L814-I842 HydrophobicContact CD2-CG2 3.47Å; L814-I842 VanDerWaalsContact CD2-CG2 3.47Å; F817-I842 HydrophobicContact CD2-CD1 3.28Å; F817-I842 HydrophobicContact CE2-CD1 3.33Å; F817-I842 HydrophobicContact CG-CD1 4.13Å; F817-I842 HydrophobicContact CZ-CD1 4.21Å; L837-I842 HydrophobicContact CD2-CG1 4.47Å; T838-I842 PolarHBondContact O-N 3.14Å; I842-R844 VanDerWaalsContact C-N 3.34Å; I842-R844 PolarHBondContact O-N 3.22Å; I842-H845 WeakPolarHBondContact O-CB 3.33Å; I842-H845 PolarHBondContact O-N 3.27Å; I842-H845 VanDerWaalsContact O-N 3.09Å; I842-V846 HydrophobicContact CG2-CG2 4.31Å; I842-V846 WeakPolarHBondContact O-CG2 3.44Å; I842-V846 PolarHBondContact O-N 2.95Å
843	L	78.2	Confident	73.3	Confident	33 Å²	33	66.7 Å²	66.7	17%	0.173	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-38.8	-179.2	-71.7	168.5	0	0	0	113.1	P679 Y680 L681 K839 K840 D841 H845 V846 R847	P679-L843 HydrophobicContact CB-CD1 3.66Å; Y680-L843 WeakPolarHBondContact O-CD2 3.12Å; L681-L843 HydrophobicContact CB-CD2 4.49Å; L681-L843 HydrophobicContact CD1-CD2 3.7Å; L681-L843 HydrophobicContact CD1-CG 4.12Å; K839-L843 HydrophobicContact CG-CD1 4.23Å; K839-L843 WeakPolarHBondContact O-CD1 3.11Å; K839-L843 WeakPolarHBondContact O-CG 3.36Å; K839-L843 PolarHBondContact O-N 3.39Å; K839-L843 VanDerWaalsContact O-N 3.11Å; K840-L843 PolarHBondContact O-N 3.45Å; D841-L843 PolarHBondContact O-N 3.16Å; L843-H845 VanDerWaalsContact C-N 3.32Å; L843-V846 PolarHBondContact O-N 3.11Å; L843-R847 WeakPolarHBondContact O-CB 2.88Å; L843-R847 PolarHBondContact O-N 3.01Å
844	R	78	Confident	70.4	Confident	151 Å²	151	78.8 Å²	78.8	57%	0.57	36%	0.36	S	S	*	.	H	α-helix	trans	-61.6	-44	173	-78.1	175.2	-179.2	170.5	-2.2	110.8	K840 D841 I842 R847 H848	K840-R844 WeakPolarHBondContact O-CB 3.34Å; K840-R844 WeakPolarHBondContact O-CG 3.42Å; K840-R844 PolarHBondContact O-N 3.29Å; D841-R844 PolarHBondContact O-N 3.26Å; I842-R844 VanDerWaalsContact C-N 3.34Å; I842-R844 PolarHBondContact O-N 3.22Å; R844-R847 PolarHBondContact O-N 3.48Å; R844-H848 PolarHBondContact O-CD2 3.49Å; R844-H848 PolarHBondContact O-N 3.43Å
845	H	76.8	Confident	69.3	Low	16 Å²	16	79.8 Å²	79.8	7%	0.074	36%	0.363	C	S	.	.	H	α-helix	trans	-62.8	-47.2	178.3	-169.1	82.1	0	0	0	111.7	L691 V696 D841 I842 L843 R847 H848 H849	L691-H845 WeakPolarHBondContact CD1-NE2 3.26Å; L691-H845 WeakPolarHBondContact CD2-NE2 3.29Å; V696-H845 HydrophobicContact CG1-CB 3.92Å; V696-H845 HydrophobicContact CG2-CB 4.44Å; D841-H845 WeakPolarHBondContact O-CB 3.31Å; D841-H845 PolarHBondContact O-N 3.48Å; I842-H845 WeakPolarHBondContact O-CB 3.33Å; I842-H845 PolarHBondContact O-N 3.27Å; I842-H845 VanDerWaalsContact O-N 3.09Å; L843-H845 VanDerWaalsContact C-N 3.32Å; H845-R847 VanDerWaalsContact C-N 3.26Å; H845-R847 PolarHBondContact O-N 2.91Å; H845-H848 PolarHBondContact O-N 3.28Å; H845-H849 AromaticContact CD2-CD2 3.92Å; H845-H849 AromaticContact CE1-CD2 3.12Å; H845-H849 PolarHBondContact CE1-CD2 3.28Å; H845-H849 AromaticContact CE1-NE2 3.32Å; H845-H849 PolarHBondContact CE1-NE2 3.48Å; H845-H849 VanDerWaalsContact CE1-NE2 3.32Å; H845-H849 AromaticContact ND1-CD2 3.55Å; H845-H849 AromaticContact ND1-NE2 3.93Å; H845-H849 AromaticContact NE2-CD2 3.35Å; H845-H849 PolarHBondContact NE2-CD2 2.99Å; H845-H849 VanDerWaalsContact NE2-CD2 3.35Å; H845-H849 AromaticContact NE2-NE2 3.9Å; H845-H849 PolarHBondContact O-N 3.02Å
846	V	72.9	Confident	68.2	Low	14 Å²	14	84 Å²	84	9%	0.085	38%	0.382	C	S	.	.	H	α-helix	trans	-55.9	-42.7	174.9	-177.3	0	0	0	0	111.1	L687 I842 L843 K850	L687-V846 HydrophobicContact CD1-CB 4.48Å; L687-V846 HydrophobicContact CD1-CG2 3.28Å; L687-V846 HydrophobicContact CD2-CG2 4.45Å; L687-V846 HydrophobicContact CG-CG2 4.18Å; I842-V846 HydrophobicContact CG2-CG2 4.31Å; I842-V846 WeakPolarHBondContact O-CG2 3.44Å; I842-V846 PolarHBondContact O-N 2.95Å; L843-V846 PolarHBondContact O-N 3.11Å; V846-K850 HydrophobicContact CG1-CD 3.99Å; V846-K850 HydrophobicContact CG1-CG 4.45Å; V846-K850 WeakPolarHBondContact O-CB 3.13Å; V846-K850 PolarHBondContact O-N 2.98Å
847	R	68.3	Low	66.9	Low	151 Å²	151	87.8 Å²	87.8	57%	0.57	40%	0.398	S	S	*	.	H	α-helix	trans	-67.4	-38.3	-179.9	-178.6	175.6	-82.2	-163.3	-10.8	112.9	D677 L843 R844 H845	D677-R847 IonicContact OD1-CZ 2.78Å; D677-R847 IonicContact OD1-NH1 3.79Å; D677-R847 PolarHBondContact OD1-NH1 2.6Å; D677-R847 IonicContact OD1-NH2 2.73Å; D677-R847 PolarHBondContact OD1-NH2 2.85Å; L843-R847 WeakPolarHBondContact O-CB 2.88Å; L843-R847 PolarHBondContact O-N 3.01Å; R844-R847 PolarHBondContact O-N 3.48Å; H845-R847 VanDerWaalsContact C-N 3.26Å; H845-R847 PolarHBondContact O-N 2.91Å
848	H	67.9	Low	65.4	Low	149 Å²	149	92.9 Å²	92.9	69%	0.69	42%	0.421	S	S	*	.	H	α-helix	trans	-75.2	-34.8	179.1	-80.8	-64.9	0	0	0	113	R844 H845	R844-H848 PolarHBondContact O-CD2 3.49Å; R844-H848 PolarHBondContact O-N 3.43Å; H845-H848 PolarHBondContact O-N 3.28Å
849	H	61.8	Low	64.1	Low	105 Å²	105	96.1 Å²	96.1	49%	0.486	43%	0.431	S	S	.	.	H	α-helix	trans	-95.2	-8.2	-177.3	-78.7	-80	0	0	0	115.2	H845 P851	H845-H849 AromaticContact CD2-CD2 3.92Å; H845-H849 AromaticContact CE1-CD2 3.12Å; H845-H849 PolarHBondContact CE1-CD2 3.28Å; H845-H849 AromaticContact CE1-NE2 3.32Å; H845-H849 PolarHBondContact CE1-NE2 3.48Å; H845-H849 VanDerWaalsContact CE1-NE2 3.32Å; H845-H849 AromaticContact ND1-CD2 3.55Å; H845-H849 AromaticContact ND1-NE2 3.93Å; H845-H849 AromaticContact NE2-CD2 3.35Å; H845-H849 PolarHBondContact NE2-CD2 2.99Å; H845-H849 VanDerWaalsContact NE2-CD2 3.35Å; H845-H849 AromaticContact NE2-NE2 3.9Å; H845-H849 PolarHBondContact O-N 3.02Å; H849-P851 WeakPolarHBondContact O-CD 3.3Å
850	K	54.7	Low	63	Low	101 Å²	101	100.5 Å²	100.5	44%	0.439	45%	0.451	S	S	.	.	S	Bend	trans	-95	74.1	158.2	-72.4	-176.3	178.5	175.7	0	109.3	D685 V846 N852	D685-K850 IonicContact OD1-NZ 3.74Å; D685-K850 PolarHBondContact OD1-NZ 3.01Å; V846-K850 HydrophobicContact CG1-CD 3.99Å; V846-K850 HydrophobicContact CG1-CG 4.45Å; V846-K850 WeakPolarHBondContact O-CB 3.13Å; V846-K850 PolarHBondContact O-N 2.98Å; K850-N852 PolarHBondContact O-N 2.81Å
851	P	37.6	Very low	61.8	Low	99 Å²	99	101.5 Å²	101.5	64%	0.643	46%	0.456	S	S	*	.			trans	-65.4	115.1	170.8	29.5	-31.7	0	0	0	107.3	H849 H853	H849-P851 WeakPolarHBondContact O-CD 3.3Å; P851-H853 PolarHBondContact O-N 3.22Å
852	N	36.8	Very low	60.2	Low	127 Å²	127	107.9 Å²	107.9	68%	0.679	48%	0.484	S	S	*	.			trans	21.7	78.9	148.1	-69.6	-39.9	0	0	0	114.7	K850 R854	K850-N852 PolarHBondContact O-N 2.81Å; N852-R854 HydrophobicContact CB-CB 4.44Å; N852-R854 HydrophobicContact CB-CG 4.09Å; N852-R854 PolarHBondContact O-N 3.24Å
853	H	36.3	Very low	58.4	Low	188 Å²	188	116.9 Å²	116.9	87%	0.87	52%	0.524	S	S	*	.			trans	-67.1	78.4	138	-92.6	-60.9	0	0	0	105.8	P851	P851-H853 PolarHBondContact O-N 3.22Å
854	R	31.2	Very low	56.6	Low	269 Å²	269	124.5 Å²	124.5	100%	1.015	56%	0.556	S	S	*	*			trans	-63.5	0	169.4	-107.2	179.8	-177.9	-171.8	0.8	109.3	N852	N852-R854 HydrophobicContact CB-CB 4.44Å; N852-R854 HydrophobicContact CB-CG 4.09Å; N852-R854 PolarHBondContact O-N 3.24Å

Retrieved 854 of 854 residues in 522.9 ms (Link to these results)

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