A0A096MGL3_POEFO Loading...

Spermatosis associated 20

AlphaFold DB , UniProt , Accession A0A096MGL3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 823 aa.

						>A0A096MGL3_POEFO|A0A096MGL3
MLRQAWRWSAFRDTRAGTALSAAASFLAADSPRRSSAGPTRGFENIPHPLRGSSQLLLQPQSVSASYYSPSVFLSMASGSSDPPSPHPKHTNRLAKERSPYLLQHAHNPVDWYPWGHEAFEKAKKEDKPIFLSVGYSTCHWCHVMERESFKDEEIGKILSDNFVCIKLDREERPDVDKVYMTFVQATSGGGGWPMSVWLTPDLRPFIGGTYFPPRDQGRRPGFKTVLMRIIEQWQNNRATLESSGEKIIDALKKATTITANPGESPPLAPDVANRCFQQLVHSYEEEYGGFKDAPKFPSPVNLMFLMSYWSVNCSTSEGVEALQMALHTLRMMALGGIHDHIAQGFHRYSTDSSWHVPHFEKMLYDQAQLAVAYISAFQVSGEQFYADVAKDILLYVSRDLSDKSGGFYSAEDADSVPTPGGLEKREGAFCVWTASEVRELLPDVVEGAVGAATLADIFMHHYGVKEQGNVAAEQDPHGELQGKNVLIVRYSAELTAAHFGITVEKFNELMTSARGRMAEVRQIRPRPHLDTKMLASWNGLMLSAFARVGAVLGNEVLLERAVQAGNFLKEHLWDPNQQNMLRSCYRGDQVEVQQISPPICGFLDDYAFVVCGLLDLYEATFQTEWLRWAEELQARQDALFWDNQGGGYFCSEPSDAAVLLRLKEDQDGAEPSANSVSASNLLRLSHYTGRQEWLQKSQQLLAAFSDRLTSIPIALPEMVRALMAQHYTLKQIVICGQRESSDTAGLLAAVNSLFSPFKVVMHTDGNPESFLCQRLPALTSMTQLDAAATAYVCQDLTCSLPVTEPQELRRLLLDGTTALEAH
					

Structure Viewer

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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	26.8	Very low	29.7	Very low	210 Å²	210	150.8 Å²	150.8	100%	1.034	72%	0.718	S	S	*	*				0	-40.8	0	-79.4	177.8	179.7	0	0	112.6	R3 Q4 A5	M1-R3 PolarHBondContact O-N 2.99Å; M1-Q4 PolarHBondContact O-N 3.25Å; M1-Q4 VanDerWaalsContact O-N 3.12Å; M1-A5 PolarHBondContact O-N 3.05Å
2	L	26.5	Very low	29.6	Very low	141 Å²	141	154.6 Å²	154.6	74%	0.738	72%	0.72	S	S	*	*	H	α-helix	trans	-59.4	-38.2	173.3	-80.9	150.6	0	0	0	114.6	Q4 A5 W6	L2-Q4 PolarHBondContact O-N 3.47Å; L2-A5 PolarHBondContact O-N 3.02Å; L2-W6 PolarHBondContact O-N 3.32Å
3	R	26.7	Very low	29.8	Very low	207 Å²	207	155.3 Å²	155.3	78%	0.781	73%	0.732	S	S	*	*	H	α-helix	trans	-60	-24.1	172.1	-87.1	-173	178.4	-170.1	0.1	115	M1	M1-R3 PolarHBondContact O-N 2.99Å
4	Q	26.3	Very low	29.9	Very low	148 Å²	148	151.5 Å²	151.5	69%	0.692	72%	0.724	S	S	*	*	H	α-helix	trans	-90.5	-31.1	-179.5	-81.9	-179.8	-12.9	0	0	112.7	M1 L2	M1-Q4 PolarHBondContact O-N 3.25Å; M1-Q4 VanDerWaalsContact O-N 3.12Å; L2-Q4 PolarHBondContact O-N 3.47Å
5	A	31.3	Very low	29.8	Very low	65 Å²	65	157.8 Å²	157.8	54%	0.537	74%	0.738	S	S	.	*	H	α-helix	trans	-67.7	-36.5	173.5	0	0	0	0	0	112	M1 L2 W8 S9	M1-A5 PolarHBondContact O-N 3.05Å; L2-A5 PolarHBondContact O-N 3.02Å; A5-W8 PolarHBondContact O-N 2.8Å; A5-S9 PolarHBondContact O-N 2.52Å
6	W	39.1	Very low	29.6	Very low	155 Å²	155	154.7 Å²	154.7	59%	0.587	75%	0.748	S	S	*	*	H	α-helix	trans	-67.6	-36.9	179.5	-89.7	80	0	0	0	114.4	L2 W8 S9	L2-W6 PolarHBondContact O-N 3.32Å; W6-W8 PolarHBondContact O-N 3.26Å; W6-S9 PolarHBondContact O-N 2.87Å
7	R	29.6	Very low	29.4	Very low	202 Å²	202	149.5 Å²	149.5	76%	0.762	74%	0.744	S	S	*	*	H	α-helix	trans	-66.3	-21.9	176.3	-81.9	-171.7	173.4	-168.3	-2.1	113.8
8	W	28.8	Very low	29.2	Very low	193 Å²	193	149.2 Å²	149.2	73%	0.731	75%	0.752	S	S	*	*	H	α-helix	trans	-90.8	-22.4	-177.9	-85.8	60.4	0	0	0	113.8	A5 W6	A5-W8 PolarHBondContact O-N 2.8Å; W6-W8 PolarHBondContact O-N 3.26Å
9	S	30.3	Very low	28.9	Very low	93 Å²	93	147.1 Å²	147.1	65%	0.65	76%	0.76	S	S	*	*	H	α-helix	trans	-79.2	-45	177.2	174.9	0	0	0	0	111.9	A5 W6 F11 R12	A5-S9 PolarHBondContact O-N 2.52Å; W6-S9 PolarHBondContact O-N 2.87Å; S9-F11 PolarHBondContact O-N 2.79Å; S9-R12 PolarHBondContact O-N 3Å
10	A	31.1	Very low	28.6	Very low	80 Å²	80	149 Å²	149	66%	0.661	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-7.7	-176.4	0	0	0	0	0	115.4
11	F	29.8	Very low	28.3	Very low	165 Å²	165	147.1 Å²	147.1	72%	0.724	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	-0.7	-177.1	-95	-82.6	0	0	0	114.6	S9	S9-F11 PolarHBondContact O-N 2.79Å
12	R	29.4	Very low	28.2	Very low	196 Å²	196	141.7 Å²	141.7	74%	0.74	76%	0.758	S	S	*	*	S	Bend	trans	-86.6	-15.5	-173.2	-97.1	-175.8	172.4	-172.6	-1.8	116.1	S9	S9-R12 PolarHBondContact O-N 3Å
13	D	31.9	Very low	28	Very low	164 Å²	164	139.9 Å²	139.9	88%	0.877	76%	0.764	S	S	*	*	S	Bend	trans	-104.3	13.7	-178.9	-82.5	-26.7	0	0	0	115.5
14	T	31.8	Very low	27.7	Very low	102 Å²	102	134.5 Å²	134.5	63%	0.626	76%	0.764	S	S	*	*	S	Bend	trans	-136	88.7	169.1	42.5	0	0	0	0	111.8
15	R	27.3	Very low	27.6	Very low	246 Å²	246	132.4 Å²	132.4	93%	0.928	77%	0.765	S	S	*	*			trans	154.4	114.4	135	-84.4	169.3	-172.7	-163.5	2.7	111.7
16	A	27.5	Very low	27.1	Very low	108 Å²	108	138.6 Å²	138.6	89%	0.893	78%	0.781	S	S	*	*			trans	-71.6	140.4	155.2	0	0	0	0	0	110
17	G	25.2	Very low	26.4	Very low	66 Å²	66	139.2 Å²	139.2	68%	0.68	79%	0.794	S	S	*	*			trans	107.9	106.1	154.7	0	0	0	0	0	117.8
18	T	25.9	Very low	26	Very low	145 Å²	145	133.9 Å²	133.9	89%	0.89	79%	0.793	S	S	*	*			trans	64.9	104	149.7	54.8	0	0	0	0	120.1
19	A	24.3	Very low	25.8	Very low	109 Å²	109	129 Å²	129	90%	0.901	80%	0.795	S	S	*	*				158	101.9	119	0	0	0	0	0	110.4
20	L	23.3	Very low	25.5	Very low	184 Å²	184	132.3 Å²	132.3	96%	0.963	81%	0.805	S	S	*	*			trans	-95.4	123.2	170.4	-99	154.8	0	0	0	109
21	S	22.4	Very low	25.1	Very low	111 Å²	111	133.4 Å²	133.4	78%	0.776	81%	0.808	S	S	*	*			trans	-173.1	131	148.3	171.2	0	0	0	0	111.5
22	A	23	Very low	25.6	Very low	95 Å²	95	130.6 Å²	130.6	79%	0.785	81%	0.806	S	S	*	*			trans	70.8	135.7	165.7	0	0	0	0	0	116.1
23	A	23.2	Very low	25.5	Very low	104 Å²	104	131.3 Å²	131.3	86%	0.86	81%	0.809	S	S	*	*			cis	-156.9	141.9	20.5	0	0	0	0	0	110.1
24	A	21.3	Very low	25.1	Very low	94 Å²	94	133.3 Å²	133.3	78%	0.777	80%	0.804	S	S	*	*			trans	-100.2	142.7	163.1	0	0	0	0	0	109.4
25	S	22.2	Very low	24.8	Very low	104 Å²	104	133.3 Å²	133.3	73%	0.727	81%	0.808	S	S	*	*			trans	165.4	154.2	138.7	-75.8	0	0	0	0	112
26	F	22.8	Very low	24.7	Very low	195 Å²	195	127.5 Å²	127.5	86%	0.855	81%	0.805	S	S	*	*			trans	87.8	118.6	170.9	-65.5	-75.2	0	0	0	114.7
27	L	23.4	Very low	24.7	Very low	167 Å²	167	127 Å²	127	87%	0.874	80%	0.801	S	S	*	*			cis	-152.8	153.8	30.3	-88.1	133.4	0	0	0	112.7
28	A	21.2	Very low	24.5	Very low	90 Å²	90	127.5 Å²	127.5	74%	0.744	81%	0.806	S	S	*	*			trans	-118.8	162.7	166.5	0	0	0	0	0	110.4
29	A	23.6	Very low	25.2	Very low	92 Å²	92	126.9 Å²	126.9	76%	0.76	80%	0.804	S	S	*	*			trans	77.8	138.1	170.4	0	0	0	0	0	115.7
30	D	24.1	Very low	25.3	Very low	161 Å²	161	127.7 Å²	127.7	86%	0.861	80%	0.799	S	S	*	*			cis	-160.6	155.3	27.6	-128.2	-20	0	0	0	111.8
31	S	23.7	Very low	25.5	Very low	103 Å²	103	131 Å²	131	72%	0.72	80%	0.798	S	S	*	*			trans	-94.4	-168.1	163.8	-61.9	0	0	0	0	108.7
32	P	40.9	Very low	25.6	Very low	106 Å²	106	129 Å²	129	69%	0.688	80%	0.795	S	S	*	*			cis	-155.1	-166.8	14.7	39.7	-13.9	0	0	0	118.5
33	R	26.6	Very low	25.6	Very low	212 Å²	212	134.2 Å²	134.2	80%	0.8	80%	0.801	S	S	*	*			trans	91.4	140.8	151.9	-75.1	171.3	-172.6	-153.2	1.1	117.6
34	R	24.4	Very low	25.7	Very low	206 Å²	206	137.2 Å²	137.2	78%	0.777	80%	0.797	S	S	*	*			cis	-164.3	132.3	22	-109.9	163.2	176.9	-168.8	0.3	107.7
35	S	25.5	Very low	25.9	Very low	102 Å²	102	139.4 Å²	139.4	71%	0.713	80%	0.796	S	S	*	*				73.5	121.9	81.7	82.2	0	0	0	0	119.4
36	S	24	Very low	26.1	Very low	123 Å²	123	142 Å²	142	86%	0.86	80%	0.8	S	S	*	*			trans	145.7	158.2	134.4	60.6	0	0	0	0	110.8
37	A	27.1	Very low	26.6	Very low	98 Å²	98	138.6 Å²	138.6	81%	0.81	80%	0.797	S	S	*	*			cis	-171.7	150.5	-46.3	0	0	0	0	0	104.8
38	G	22.3	Very low	26.8	Very low	76 Å²	76	139.3 Å²	139.3	78%	0.784	80%	0.796	S	S	*	*			trans	-69.4	-153.5	-170.3	0	0	0	0	0	117.4
39	P	40.2	Very low	27.7	Very low	132 Å²	132	140 Å²	140	86%	0.857	79%	0.793	S	S	*	*			cis	-147.4	-176.7	38	40	-17	0	0	0	118.4
40	T	27.2	Very low	27.7	Very low	127 Å²	127	142.9 Å²	142.9	78%	0.779	80%	0.795	S	S	*	*			trans	-61.7	160	-179.6	50.1	0	0	0	0	120.7
41	R	26.3	Very low	27.7	Very low	252 Å²	252	146.7 Å²	146.7	95%	0.951	80%	0.797	S	S	*	*				163.8	146.3	129.5	-92.4	175.1	-179.9	-169.9	0.5	109.1
42	G	24	Very low	27.8	Very low	70 Å²	70	145.8 Å²	145.8	72%	0.722	80%	0.804	S	S	*	*			cis	-177.5	167.6	4.9	0	0	0	0	0	111.4
43	F	23.7	Very low	27	Very low	205 Å²	205	145.6 Å²	145.6	90%	0.899	81%	0.805	S	S	*	*			trans	-33.8	150	177	-71.9	-101.8	0	0	0	120.4
44	E	25.7	Very low	26.9	Very low	166 Å²	166	141.7 Å²	141.7	78%	0.776	81%	0.81	S	S	*	*				172.4	136.5	101.4	-92.9	-170	176.5	0	0	115.5
45	N	25.1	Very low	26.9	Very low	141 Å²	141	140.3 Å²	140.3	75%	0.754	81%	0.813	S	S	*	*			trans	76.4	123.2	136.9	-64	-30.8	0	0	0	125.5
46	I	26.5	Very low	26.8	Very low	159 Å²	159	143.3 Å²	143.3	82%	0.815	82%	0.82	S	S	*	*			trans	-68.7	152.3	166.1	-70.4	167.5	0	0	0	109.9
47	P	33.3	Very low	26.8	Very low	123 Å²	123	143.5 Å²	143.5	80%	0.799	81%	0.81	S	S	*	*				-155.1	149.9	72.9	39.8	-15.8	0	0	0	122
48	H	28	Very low	26.6	Very low	181 Å²	181	145.5 Å²	145.5	84%	0.838	81%	0.807	S	S	*	*			trans	-70	164.3	149.7	-88.3	-56.1	0	0	0	110.7
49	P	39.4	Very low	26.6	Very low	106 Å²	106	149.5 Å²	149.5	69%	0.688	81%	0.805	S	S	*	*				-147.7	174.5	50.1	30.6	-3.8	0	0	0	114.8
50	L	24.3	Very low	26.3	Very low	152 Å²	152	148.1 Å²	148.1	80%	0.796	80%	0.796	S	S	*	*				179.2	120.2	84.9	-80.8	162	0	0	0	107.6
51	R	24.8	Very low	26.2	Very low	240 Å²	240	151.6 Å²	151.6	91%	0.906	80%	0.804	S	S	*	*				50.4	115.4	99.5	-93.4	-170.3	-177.1	-171	1.9	116.9
52	G	24.2	Very low	26	Very low	84 Å²	84	144.5 Å²	144.5	87%	0.866	79%	0.793	S	S	*	*			trans	-164.8	77.2	161.1	0	0	0	0	0	110.4
53	S	23.8	Very low	26	Very low	103 Å²	103	147.3 Å²	147.3	72%	0.72	80%	0.796	S	S	*	*			trans	-80.3	144.4	175.3	21.5	0	0	0	0	111.6
54	S	25.1	Very low	26	Very low	130 Å²	130	143.1 Å²	143.1	91%	0.909	79%	0.792	S	S	*	*			trans	-153.8	103.1	151.5	-73.3	0	0	0	0	109.4
55	Q	24.6	Very low	25.9	Very low	177 Å²	177	139.7 Å²	139.7	83%	0.827	79%	0.791	S	S	*	*			trans	-92.2	149.8	162.1	-76.6	178.4	-26.8	0	0	108.9
56	L	24	Very low	25.8	Very low	164 Å²	164	137.4 Å²	137.4	86%	0.859	79%	0.787	S	S	*	*			trans	-164.2	95.6	149.7	-96.4	154.9	0	0	0	105.6
57	L	22.6	Very low	25.7	Very low	127 Å²	127	141.5 Å²	141.5	67%	0.665	79%	0.794	S	S	*	*				59.8	103.8	91.1	-68.8	163.3	0	0	0	113.4
58	L	23.2	Very low	25.3	Very low	140 Å²	140	145.2 Å²	145.2	73%	0.733	79%	0.793	S	S	*	*				73.3	133.3	104.3	-74.7	176	0	0	0	113
59	Q	22.4	Very low	25.2	Very low	161 Å²	161	142 Å²	142	75%	0.752	79%	0.791	S	S	*	*			cis	-178.8	-158.2	11.4	-139.3	-176.2	19.2	0	0	105.8
60	P	34.6	Very low	24.5	Very low	103 Å²	103	142.3 Å²	142.3	67%	0.669	79%	0.793	S	S	*	*				-107.6	171.1	-88.1	28.8	-7.4	0	0	0	113.4
61	Q	24.3	Very low	24.7	Very low	200 Å²	200	139.9 Å²	139.9	94%	0.935	79%	0.789	S	S	*	*			trans	-161.2	143	142.5	-111.7	170.6	25.6	0	0	112.5
62	S	22.5	Very low	24.7	Very low	103 Å²	103	134.3 Å²	134.3	72%	0.72	78%	0.781	S	S	*	*			trans	-98.7	160.8	-169.8	47.7	0	0	0	0	113
63	V	23.9	Very low	24.7	Very low	129 Å²	129	139.5 Å²	139.5	78%	0.782	78%	0.78	S	S	*	*			trans	111.3	129.2	145.5	-168	0	0	0	0	117.7
64	S	23.6	Very low	24.8	Very low	117 Å²	117	142.1 Å²	142.1	82%	0.818	79%	0.785	S	S	*	*			trans	96.1	122	150.5	61.4	0	0	0	0	120.3
65	A	24.5	Very low	24.7	Very low	93 Å²	93	141 Å²	141	77%	0.769	78%	0.778	S	S	*	*			trans	-74.5	139.3	172.1	0	0	0	0	0	112.1
66	S	23.6	Very low	24.8	Very low	94 Å²	94	137.3 Å²	137.3	66%	0.657	76%	0.761	S	S	*	*			trans	-168	105.5	146.5	53.4	0	0	0	0	107.7	Y68	S66-Y68 PolarHBondContact O-N 2.95Å
67	Y	23.6	Very low	24.9	Very low	244 Å²	244	134.5 Å²	134.5	96%	0.957	76%	0.762	S	S	*	*			trans	-69.1	94.1	172.4	-82.1	-89.8	0	0	0	109
68	Y	24.2	Very low	25.3	Very low	201 Å²	201	133.5 Å²	133.5	79%	0.788	77%	0.766	S	S	*	*			trans	-92.8	112.7	157.6	-91.9	-87.4	0	0	0	107.3	S66 P70	S66-Y68 PolarHBondContact O-N 2.95Å; Y68-P70 VanDerWaalsContact O-CD 3.29Å; Y68-P70 WeakPolarHBondContact O-CD 3.29Å
69	S	26	Very low	25.7	Very low	114 Å²	114	130.4 Å²	130.4	80%	0.797	77%	0.767	S	S	*	*			trans	-66	120.3	163.7	-77.6	0	0	0	0	109.1
70	P	26.1	Very low	26	Very low	113 Å²	113	127.3 Å²	127.3	73%	0.734	76%	0.764	S	S	*	*			trans	-84.4	113.7	160.2	10.3	8.8	0	0	0	107.6	Y68 V72	Y68-P70 VanDerWaalsContact O-CD 3.29Å; Y68-P70 WeakPolarHBondContact O-CD 3.29Å; P70-V72 PolarHBondContact O-N 3.41Å
71	S	27	Very low	26.1	Very low	101 Å²	101	128.1 Å²	128.1	71%	0.706	77%	0.772	S	S	*	*			trans	-55.8	97.6	162.5	-49.9	0	0	0	0	108.9	F73	S71-F73 PolarHBondContact O-N 3.05Å; S71-F73 VanDerWaalsContact O-N 3.14Å
72	V	24.6	Very low	26.5	Very low	122 Å²	122	124.6 Å²	124.6	74%	0.739	76%	0.759	S	S	*	*			trans	-76.7	98.9	167.6	178.8	0	0	0	0	106.6	P70 L74	P70-V72 PolarHBondContact O-N 3.41Å; V72-L74 PolarHBondContact O-N 2.89Å
73	F	24.4	Very low	27	Very low	194 Å²	194	124.8 Å²	124.8	85%	0.851	76%	0.758	S	S	*	*			trans	-61	102	161.9	-80.3	-91.4	0	0	0	107.9	S71 S75	S71-F73 PolarHBondContact O-N 3.05Å; S71-F73 VanDerWaalsContact O-N 3.14Å; F73-S75 PolarHBondContact O-N 2.84Å
74	L	25.8	Very low	27.5	Very low	158 Å²	158	125 Å²	125	83%	0.827	76%	0.762	S	S	*	*			trans	-64.2	104.5	164.1	-90.8	145.5	0	0	0	107.7	V72 M76	V72-L74 PolarHBondContact O-N 2.89Å; L74-M76 PolarHBondContact O-N 2.94Å
75	S	24	Very low	28.5	Very low	107 Å²	107	123.9 Å²	123.9	75%	0.748	76%	0.755	S	S	*	*			trans	-53.1	116.4	163.3	-179.3	0	0	0	0	108	F73 A77	F73-S75 PolarHBondContact O-N 2.84Å; S75-A77 PolarHBondContact O-N 3.39Å
76	M	27	Very low	29.8	Very low	98 Å²	98	125.2 Å²	125.2	48%	0.483	76%	0.756	S	S	.	*			trans	-58.3	133.8	168	-58.4	-124.8	-69.4	0	0	107.4	L74 S78 V591	L74-M76 PolarHBondContact O-N 2.94Å; M76-S78 VanDerWaalsContact C-N 3.29Å; M76-S78 PolarHBondContact O-N 3.4Å; M76-V591 HydrophobicContact CE-CG1 4.07Å; M76-V591 HydrophobicContact CE-CG2 4.37Å
77	A	25.5	Very low	31.6	Very low	106 Å²	106	129.3 Å²	129.3	88%	0.876	76%	0.764	S	S	*	*			trans	-63	93.3	174.8	0	0	0	0	0	108.7	S75	S75-A77 PolarHBondContact O-N 3.39Å
78	S	30.3	Very low	34.3	Very low	105 Å²	105	120.7 Å²	120.7	73%	0.734	74%	0.738	S	S	*	*			trans	-62.2	134.7	160.6	51.5	0	0	0	0	108	M76 S80	M76-S78 VanDerWaalsContact C-N 3.29Å; M76-S78 PolarHBondContact O-N 3.4Å; S78-S80 PolarHBondContact O-N 3.37Å
79	G	31.7	Very low	37.3	Very low	75 Å²	75	118.7 Å²	118.7	77%	0.773	73%	0.733	S	S	*	*			trans	-34.9	125.9	-172	0	0	0	0	0	114.7	S81	G79-S81 PolarHBondContact O-N 3.14Å; G79-S81 VanDerWaalsContact O-N 3.15Å
80	S	29.6	Very low	40.4	Very low	97 Å²	97	116 Å²	116	68%	0.678	71%	0.708	S	S	*	*			trans	-57.2	116.5	163.8	45	0	0	0	0	108.4	S78 D82	S78-S80 PolarHBondContact O-N 3.37Å; S80-D82 VanDerWaalsContact C-N 3.26Å; S80-D82 PolarHBondContact O-N 2.92Å
81	S	35.2	Very low	43.7	Very low	120 Å²	120	114.8 Å²	114.8	84%	0.839	70%	0.698	S	S	*	*			trans	-67.3	90.6	162.5	55.3	0	0	0	0	108	G79	G79-S81 PolarHBondContact O-N 3.14Å; G79-S81 VanDerWaalsContact O-N 3.15Å
82	D	33.7	Very low	46.9	Very low	125 Å²	125	110.7 Å²	110.7	67%	0.668	67%	0.669	S	S	*	*			trans	-60.2	148.7	168.5	-72.6	-37.5	0	0	0	110.1	S80	S80-D82 VanDerWaalsContact C-N 3.26Å; S80-D82 PolarHBondContact O-N 2.92Å
83	P	32.4	Very low	50.3	Low	108 Å²	108	108.2 Å²	108.2	70%	0.701	65%	0.646	S	S	*	*			trans	-56.5	147.2	166.2	25.9	-31.7	0	0	0	108.9	S85	P83-S85 PolarHBondContact O-N 3.14Å
84	P	35.1	Very low	53.7	Low	132 Å²	132	99 Å²	99	86%	0.857	61%	0.605	S	S	*	*			trans	-57.1	110.4	-170.9	23.6	-32.2	0	0	0	109.3
85	S	44.7	Very low	57	Low	95 Å²	95	93.6 Å²	93.6	66%	0.664	58%	0.583	S	S	*	*			trans	-57.8	140.8	169.8	43.9	0	0	0	0	108	P83 H87	P83-S85 PolarHBondContact O-N 3.14Å; S85-H87 PolarHBondContact O-N 3.19Å
86	P	50.5	Low	60.2	Low	121 Å²	121	96.9 Å²	96.9	79%	0.786	58%	0.584	S	S	*	*			trans	-55.3	130.3	173.2	23.4	-31.1	0	0	0	107.7
87	H	63.3	Low	63.4	Low	179 Å²	179	94.5 Å²	94.5	83%	0.829	57%	0.572	S	S	*	*			trans	-44.1	129.1	179.3	-73.1	-71	0	0	0	110	S85 K89	S85-H87 PolarHBondContact O-N 3.19Å; H87-K89 PolarHBondContact O-N 3.2Å
88	P	79.5	Confident	66.5	Low	63 Å²	63	94.1 Å²	94.1	41%	0.409	55%	0.548	S	S	.	.			trans	-58.5	129.1	-175.1	23.4	-32.6	0	0	0	109.1	H90 H107	P88-H90 PolarHBondContact O-N 3.42Å; P88-H107 HydrophobicContact CB-CB 4.11Å
89	K	87.4	Confident	69.5	Low	160 Å²	160	89.1 Å²	89.1	70%	0.696	51%	0.513	S	S	*	.	S	Bend	trans	-59.1	-32.7	-175.3	-174.5	-177.9	174.3	-165.4	0	112.1	H87 E153	H87-K89 PolarHBondContact O-N 3.2Å; K89-E153 WeakPolarHBondContact CE-OE1 3.49Å; K89-E153 IonicContact NZ-OE1 3.22Å; K89-E153 PolarHBondContact NZ-OE1 3.28Å; K89-E153 IonicContact NZ-OE2 3.74Å
90	H	90.9	Very high	72.4	Confident	58 Å²	58	86.1 Å²	86.1	27%	0.269	48%	0.48	S	S	.	.			trans	-126.3	147.2	178.5	-58.3	-72.6	0	0	0	109.7	P88 H107 E153	P88-H90 PolarHBondContact O-N 3.42Å; H90-H107 WeakPolarHBondContact O-CA 3.14Å; H90-H107 PolarHBondContact O-ND1 3.05Å; H90-E153 IonicContact CD2-OE1 3.59Å; H90-E153 IonicContact CE1-OE2 2.72Å; H90-E153 IonicContact NE2-OE1 2.66Å; H90-E153 PolarHBondContact NE2-OE1 3.06Å; H90-E153 IonicContact NE2-OE2 3.74Å; H90-E153 PolarHBondContact NE2-OE2 3.48Å
91	T	94.3	Very high	75.4	Confident	86 Å²	86	81.5 Å²	81.5	53%	0.528	45%	0.448	S	S	.	.			trans	-147.5	122.4	169.7	-62.5	0	0	0	0	108	A95 A106 H107	T91-A95 HydrophobicContact CG2-CB 3.82Å; T91-A106 WeakPolarHBondContact CA-O 3.42Å; T91-H107 PolarHBondContact OG1-ND1 2.85Å
92	N	95.3	Very high	78.2	Confident	16 Å²	16	76 Å²	76	9%	0.086	41%	0.409	C	S	.	.			trans	-108.7	-171.1	179.7	64.5	52.6	0	0	0	111	L94 A95 H105 A106 V110	N92-L94 VanDerWaalsContact C-N 3.27Å; N92-L94 PolarHBondContact O-N 2.88Å; N92-L94 VanDerWaalsContact OD1-CB 3.3Å; N92-L94 WeakPolarHBondContact OD1-CB 3.48Å; N92-L94 WeakPolarHBondContact OD1-CG 3.1Å; N92-L94 PolarHBondContact OD1-N 2.87Å; N92-A95 PolarHBondContact O-N 3.44Å; N92-H105 PolarHBondContact ND2-O 3.25Å; N92-A106 VanDerWaalsContact CG-O 3.3Å; N92-A106 PolarHBondContact N-O 3.01Å; N92-A106 PolarHBondContact ND2-O 3.49Å; N92-A106 PolarHBondContact OD1-O 2.99Å; N92-V110 PolarHBondContact ND2-O 3.03Å
93	R	95.6	Very high	81	Confident	70 Å²	70	73.4 Å²	73.4	26%	0.264	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-69	-24.8	-173.4	-69.8	165.3	-170.6	69.7	8.8	113.3	A95 K96 D111 Y113 E118	R93-A95 PolarHBondContact O-N 2.97Å; R93-A95 VanDerWaalsContact O-N 3.1Å; R93-K96 PolarHBondContact O-N 2.8Å; R93-K96 VanDerWaalsContact O-N 3.14Å; R93-D111 IonicContact CZ-OD1 3.76Å; R93-D111 IonicContact NH1-OD1 2.89Å; R93-D111 PolarHBondContact NH1-OD1 3.37Å; R93-D111 IonicContact NH1-OD2 3.89Å; R93-Y113 VanDerWaalsContact CD-CD1 3.5Å; R93-Y113 VanDerWaalsContact CD-CE1 3.42Å; R93-Y113 PolarHBondContact NE-OH 3.47Å; R93-Y113 VanDerWaalsContact NH1-CZ 3.29Å; R93-Y113 PolarHBondContact NH1-OH 3.16Å; R93-Y113 PolarHBondContact NH2-OH 3.46Å; R93-E118 WeakPolarHBondContact CD-OE1 3.4Å; R93-E118 IonicContact CZ-OE1 3.41Å; R93-E118 IonicContact NE-OE1 2.7Å; R93-E118 PolarHBondContact NE-OE1 2.93Å; R93-E118 IonicContact NE-OE2 3.67Å; R93-E118 IonicContact NH2-OE1 3.97Å
94	L	95.9	Very high	83.8	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-64	-17.4	-178.2	-55.5	-179.4	0	0	0	112.9	N92 K96 E97 L102 L103 H105 A106 W112 P114 K167	N92-L94 VanDerWaalsContact C-N 3.27Å; N92-L94 PolarHBondContact O-N 2.88Å; N92-L94 VanDerWaalsContact OD1-CB 3.3Å; N92-L94 WeakPolarHBondContact OD1-CB 3.48Å; N92-L94 WeakPolarHBondContact OD1-CG 3.1Å; N92-L94 PolarHBondContact OD1-N 2.87Å; L94-K96 PolarHBondContact O-N 2.93Å; L94-E97 HydrophobicContact CB-CG 4.47Å; L94-E97 HydrophobicContact CD2-CG 4.19Å; L94-E97 WeakPolarHBondContact O-CB 3.4Å; L94-E97 PolarHBondContact O-N 2.99Å; L94-L102 HydrophobicContact CB-CB 4.48Å; L94-L102 WeakPolarHBondContact CB-O 3.34Å; L94-L102 WeakPolarHBondContact CD1-O 3.49Å; L94-L102 HydrophobicContact CD2-CB 4.28Å; L94-L102 HydrophobicContact CD2-CD2 4.33Å; L94-L103 WeakPolarHBondContact O-CD2 3.47Å; L94-H105 HydrophobicContact CD1-CB 3.73Å; L94-A106 HydrophobicContact CB-CB 4.39Å; L94-W112 HydrophobicContact CD1-CB 3.49Å; L94-W112 VanDerWaalsContact CD1-CB 3.49Å; L94-W112 HydrophobicContact CD1-CG 3.92Å; L94-W112 HydrophobicContact CD2-CB 4.49Å; L94-W112 HydrophobicContact CG-CB 3.76Å; L94-P114 HydrophobicContact CD2-CB 4.13Å; L94-K167 HydrophobicContact CD1-CB 3.67Å; L94-K167 HydrophobicContact CD1-CG 4.03Å; L94-K167 HydrophobicContact CD2-CB 4.35Å
95	A	94.3	Very high	86.6	Confident	44 Å²	44	64.6 Å²	64.6	36%	0.364	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-59.3	-11.4	173.1	0	0	0	0	0	114.2	T91 N92 R93 A106	T91-A95 HydrophobicContact CG2-CB 3.82Å; N92-A95 PolarHBondContact O-N 3.44Å; R93-A95 PolarHBondContact O-N 2.97Å; R93-A95 VanDerWaalsContact O-N 3.1Å; A95-A106 HydrophobicContact CB-CB 3.97Å
96	K	92.3	Very high	89	Confident	177 Å²	177	60.1 Å²	60.1	77%	0.77	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-101.4	-5.9	177.5	-60	179.3	-177.7	176.4	0	113.5	R93 L94	R93-K96 PolarHBondContact O-N 2.8Å; R93-K96 VanDerWaalsContact O-N 3.14Å; L94-K96 PolarHBondContact O-N 2.93Å
97	E	93.4	Very high	91.1	Very high	48 Å²	48	59 Å²	59	22%	0.224	29%	0.285	C	S	.	.			trans	-78.4	166.9	-179.1	-60.9	-58.6	149.8	0	0	111.3	L94 L102 L103 P114	L94-E97 HydrophobicContact CB-CG 4.47Å; L94-E97 HydrophobicContact CD2-CG 4.19Å; L94-E97 WeakPolarHBondContact O-CB 3.4Å; L94-E97 PolarHBondContact O-N 2.99Å; E97-L102 HydrophobicContact CB-CB 3.91Å; E97-L102 HydrophobicContact CB-CD1 4.04Å; E97-L102 HydrophobicContact CG-CB 4.14Å; E97-L102 HydrophobicContact CG-CD1 3.8Å; E97-L103 WeakPolarHBondContact O-CD2 3.32Å; E97-P114 HydrophobicContact CG-CB 4.38Å; E97-P114 VanDerWaalsContact OE1-CB 3.28Å; E97-P114 WeakPolarHBondContact OE1-CB 3.37Å; E97-P114 VanDerWaalsContact OE1-CG 3.27Å; E97-P114 WeakPolarHBondContact OE1-CG 3.28Å
98	R	92	Very high	92.6	Very high	98 Å²	98	50.8 Å²	50.8	37%	0.37	25%	0.248	S	C	.	.			trans	-107.9	-24.1	173.8	-62.7	-64.1	-168.8	163.1	3	113.3	P100 Y586 I596	R98-P100 WeakPolarHBondContact O-CD 3.29Å; R98-Y586 HydrophobicContact CB-CD1 4.26Å; R98-Y586 HydrophobicContact CB-CD2 3.87Å; R98-Y586 HydrophobicContact CB-CE1 4.46Å; R98-Y586 HydrophobicContact CB-CE2 4.08Å; R98-Y586 HydrophobicContact CB-CG 3.97Å; R98-I596 HydrophobicContact CB-CG2 3.55Å; R98-I596 HydrophobicContact CG-CG2 3.6Å
99	S	92.6	Very high	93.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.234	C	C	.	.			trans	-55.6	123.5	175	161.6	0	0	0	0	109.9	Y101 L102 L103 D169 E172	S99-Y101 PolarHBondContact O-N 3.07Å; S99-Y101 PolarHBondContact OG-N 3.25Å; S99-L102 PolarHBondContact O-N 3.31Å; S99-L102 VanDerWaalsContact O-N 3.14Å; S99-L102 PolarHBondContact OG-N 3.05Å; S99-L103 WeakPolarHBondContact O-CG 3.21Å; S99-L103 PolarHBondContact O-N 3.37Å; S99-D169 PolarHBondContact OG-OD2 3.07Å; S99-E172 WeakPolarHBondContact CB-OE2 3.26Å
100	P	92	Very high	93.7	Very high	12 Å²	12	41.1 Å²	41.1	8%	0.078	20%	0.201	C	C	.	.	H	α-helix	trans	-57.7	-33.6	174.8	-28.5	38.1	0	0	0	112.6	R98 Q104 D531	R98-P100 WeakPolarHBondContact O-CD 3.29Å; P100-Q104 WeakPolarHBondContact O-CG 3.35Å; P100-Q104 PolarHBondContact O-N 2.95Å; P100-Q104 VanDerWaalsContact O-N 3.07Å; P100-D531 WeakPolarHBondContact CG-OD1 3.18Å
101	Y	92.6	Very high	94	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-46.6	175.8	-179.3	-119.7	0	0	0	112.1	S99 Q104 H105 G135 Y136 C142 K167 L168 D169	S99-Y101 PolarHBondContact O-N 3.07Å; S99-Y101 PolarHBondContact OG-N 3.25Å; Y101-Q104 WeakPolarHBondContact O-CB 3.37Å; Y101-Q104 PolarHBondContact O-N 3.02Å; Y101-H105 AromaticContact CE2-NE2 3.51Å; Y101-H105 AromaticContact CZ-NE2 3.78Å; Y101-H105 PolarHBondContact O-CD2 3.47Å; Y101-G135 WeakPolarHBondContact CE1-O 3.15Å; Y101-G135 VanDerWaalsContact CZ-C 3.44Å; Y101-G135 VanDerWaalsContact CZ-CA 3.46Å; Y101-G135 WeakPolarHBondContact OH-CA 3.33Å; Y101-G135 PolarHBondContact OH-N 3.3Å; Y101-Y136 WeakPolarHBondContact CD2-O 3.35Å; Y101-C142 HydrophobicContact CE2-CB 4.07Å; Y101-K167 VanDerWaalsContact CE1-CE 3.45Å; Y101-K167 HydrophobicContact CE1-CG 4.29Å; Y101-K167 WeakPolarHBondContact OH-CE 3.4Å; Y101-K167 PolarHBondContact OH-NZ 3.01Å; Y101-L168 VanDerWaalsContact CE1-O 3.28Å; Y101-L168 WeakPolarHBondContact CE1-O 3.3Å; Y101-D169 HydrophobicContact CD1-CB 3.96Å
102	L	94.4	Very high	94.1	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-66.6	-41.8	179.5	-62.4	-175.9	0	0	0	111.4	L94 E97 S99 Q104 H105 K167 D169	L94-L102 HydrophobicContact CB-CB 4.48Å; L94-L102 WeakPolarHBondContact CB-O 3.34Å; L94-L102 WeakPolarHBondContact CD1-O 3.49Å; L94-L102 HydrophobicContact CD2-CB 4.28Å; L94-L102 HydrophobicContact CD2-CD2 4.33Å; E97-L102 HydrophobicContact CB-CB 3.91Å; E97-L102 HydrophobicContact CB-CD1 4.04Å; E97-L102 HydrophobicContact CG-CB 4.14Å; E97-L102 HydrophobicContact CG-CD1 3.8Å; S99-L102 PolarHBondContact O-N 3.31Å; S99-L102 VanDerWaalsContact O-N 3.14Å; S99-L102 PolarHBondContact OG-N 3.05Å; L102-Q104 VanDerWaalsContact C-N 3.29Å; L102-Q104 PolarHBondContact O-N 3.21Å; L102-H105 PolarHBondContact O-N 3.38Å; L102-K167 HydrophobicContact CD2-CB 3.97Å; L102-K167 HydrophobicContact CD2-CG 3.78Å; L102-K167 WeakPolarHBondContact CD2-O 3.45Å; L102-D169 HydrophobicContact CD2-CB 4.48Å; L102-D169 HydrophobicContact CG-CB 4.33Å
103	L	93.4	Very high	94.3	Very high	70 Å²	70	36.3 Å²	36.3	37%	0.366	17%	0.174	S	C	.	.	H	α-helix	trans	-61.7	-34.5	178.2	-74.9	170.2	0	0	0	113	L94 E97 S99 H105 A106	L94-L103 WeakPolarHBondContact O-CD2 3.47Å; E97-L103 WeakPolarHBondContact O-CD2 3.32Å; S99-L103 WeakPolarHBondContact O-CG 3.21Å; S99-L103 PolarHBondContact O-N 3.37Å; L103-H105 PolarHBondContact O-N 3.45Å; L103-H105 VanDerWaalsContact O-N 3.1Å; L103-A106 VanDerWaalsContact O-CB 3.24Å; L103-A106 WeakPolarHBondContact O-CB 3.41Å; L103-A106 PolarHBondContact O-N 3.23Å; L103-A106 VanDerWaalsContact O-N 3.09Å
104	Q	90.6	Very high	94.3	Very high	52 Å²	52	34.2 Å²	34.2	24%	0.243	17%	0.169	C	C	.	.	H	α-helix	trans	-56.9	-25.4	174.2	-75.3	165.6	6.7	0	0	112.9	P100 Y101 L102 S137 H143	P100-Q104 WeakPolarHBondContact O-CG 3.35Å; P100-Q104 PolarHBondContact O-N 2.95Å; P100-Q104 VanDerWaalsContact O-N 3.07Å; Y101-Q104 WeakPolarHBondContact O-CB 3.37Å; Y101-Q104 PolarHBondContact O-N 3.02Å; L102-Q104 VanDerWaalsContact C-N 3.29Å; L102-Q104 PolarHBondContact O-N 3.21Å; Q104-S137 PolarHBondContact NE2-O 2.86Å; Q104-H143 PolarHBondContact OE1-CE1 3.3Å
105	H	94	Very high	94.2	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	2.6	-179.2	-64.2	-71.9	0	0	0	114.3	N92 L94 Y101 L102 L103 H107 N108 E146 K167	N92-H105 PolarHBondContact ND2-O 3.25Å; L94-H105 HydrophobicContact CD1-CB 3.73Å; Y101-H105 AromaticContact CE2-NE2 3.51Å; Y101-H105 AromaticContact CZ-NE2 3.78Å; Y101-H105 PolarHBondContact O-CD2 3.47Å; L102-H105 PolarHBondContact O-N 3.38Å; L103-H105 PolarHBondContact O-N 3.45Å; L103-H105 VanDerWaalsContact O-N 3.1Å; H105-H107 PolarHBondContact O-N 3.47Å; H105-H107 VanDerWaalsContact O-N 3.11Å; H105-N108 PolarHBondContact ND1-ND2 3.06Å; H105-N108 PolarHBondContact O-N 3.43Å; H105-E146 WeakPolarHBondContact CE1-CG 3.15Å; H105-E146 WeakPolarHBondContact ND1-CG 3.46Å; H105-K167 WeakPolarHBondContact CD2-CE 3.34Å; H105-K167 PolarHBondContact CE1-NZ 3.46Å; H105-K167 WeakPolarHBondContact NE2-CE 3.45Å; H105-K167 PolarHBondContact NE2-NZ 3.28Å
106	A	95	Very high	94.2	Very high	2 Å²	2	34.5 Å²	34.5	2%	0.017	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.1	-173.3	0	0	0	0	0	114.5	T91 N92 L94 A95 L103	T91-A106 WeakPolarHBondContact CA-O 3.42Å; N92-A106 VanDerWaalsContact CG-O 3.3Å; N92-A106 PolarHBondContact N-O 3.01Å; N92-A106 PolarHBondContact ND2-O 3.49Å; N92-A106 PolarHBondContact OD1-O 2.99Å; L94-A106 HydrophobicContact CB-CB 4.39Å; A95-A106 HydrophobicContact CB-CB 3.97Å; L103-A106 VanDerWaalsContact O-CB 3.24Å; L103-A106 WeakPolarHBondContact O-CB 3.41Å; L103-A106 PolarHBondContact O-N 3.23Å; L103-A106 VanDerWaalsContact O-N 3.09Å
107	H	95.3	Very high	94.2	Very high	97 Å²	97	32.7 Å²	32.7	45%	0.449	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	13.3	-175.1	-58.3	-55.8	0	0	0	114	P88 H90 T91 H105	P88-H107 HydrophobicContact CB-CB 4.11Å; H90-H107 WeakPolarHBondContact O-CA 3.14Å; H90-H107 PolarHBondContact O-ND1 3.05Å; T91-H107 PolarHBondContact OG1-ND1 2.85Å; H105-H107 PolarHBondContact O-N 3.47Å; H105-H107 VanDerWaalsContact O-N 3.11Å
108	N	93.7	Very high	94.3	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.032	18%	0.177	C	C	.	.	S	Bend	trans	-71.7	150.8	177	-68.3	16.4	0	0	0	110.3	H105 V110 E146	H105-N108 PolarHBondContact ND1-ND2 3.06Å; H105-N108 PolarHBondContact O-N 3.43Å; N108-V110 PolarHBondContact O-N 3.13Å; N108-V110 VanDerWaalsContact O-N 3.13Å; N108-E146 PolarHBondContact ND2-OE1 2.79Å; N108-E146 PolarHBondContact OD1-OE1 2.95Å
109	P	94.4	Very high	94.5	Very high	20 Å²	20	31.2 Å²	31.2	13%	0.13	16%	0.16	C	C	.	.	S	Bend	trans	-62	-14	173.9	25.4	-36.4	0	0	0	114.1	F150	P109-F150 WeakPolarHBondContact CD-O 3.24Å; P109-F150 VanDerWaalsContact CG-O 3.3Å; P109-F150 WeakPolarHBondContact CG-O 3.45Å
110	V	96.1	Very high	94.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.164	C	C	.	.	S	Bend	trans	-75.8	130.8	173.1	-176.2	0	0	0	0	110.1	N92 N108 W112 F150 L159 S160 C165	N92-V110 PolarHBondContact ND2-O 3.03Å; N108-V110 PolarHBondContact O-N 3.13Å; N108-V110 VanDerWaalsContact O-N 3.13Å; V110-W112 HydrophobicContact CB-CD2 4.17Å; V110-W112 HydrophobicContact CB-CG 4.29Å; V110-W112 HydrophobicContact CB-CZ2 4.12Å; V110-W112 HydrophobicContact CG1-CD2 3.64Å; V110-W112 VanDerWaalsContact CG1-CE2 3.48Å; V110-W112 HydrophobicContact CG1-CE3 4.09Å; V110-W112 HydrophobicContact CG1-CG 4.08Å; V110-W112 HydrophobicContact CG1-CH2 4.24Å; V110-W112 HydrophobicContact CG1-CZ2 3.8Å; V110-W112 HydrophobicContact CG1-CZ3 4.37Å; V110-W112 HydrophobicContact CG2-CZ2 4.19Å; V110-W112 PolarHBondContact O-N 3.3Å; V110-F150 HydrophobicContact CG2-CB 4.47Å; V110-L159 HydrophobicContact CG1-CB 4.22Å; V110-L159 HydrophobicContact CG1-CD1 4.29Å; V110-L159 HydrophobicContact CG2-CB 4.43Å; V110-L159 HydrophobicContact CG2-CD1 3.77Å; V110-S160 WeakPolarHBondContact CA-OG 3.36Å; V110-C165 HydrophobicContact CG1-CB 3.63Å
111	D	96.1	Very high	94.9	Very high	51 Å²	51	35.1 Å²	35.1	27%	0.273	18%	0.177	S	C	.	.			trans	-73	75.3	172.6	-174.9	33.1	0	0	0	110.8	R93 Y113 K122 S160	R93-D111 IonicContact CZ-OD1 3.76Å; R93-D111 IonicContact NH1-OD1 2.89Å; R93-D111 PolarHBondContact NH1-OD1 3.37Å; R93-D111 IonicContact NH1-OD2 3.89Å; D111-Y113 WeakPolarHBondContact O-CD2 3.27Å; D111-K122 IonicContact OD2-NZ 2.76Å; D111-K122 PolarHBondContact OD2-NZ 2.81Å; D111-S160 PolarHBondContact N-OG 2.93Å
112	W	97.8	Very high	95.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	141.7	-178.7	-68.3	118.3	0	0	0	113.3	L94 V110 F131 F150 C165 I166 K167	L94-W112 HydrophobicContact CD1-CB 3.49Å; L94-W112 VanDerWaalsContact CD1-CB 3.49Å; L94-W112 HydrophobicContact CD1-CG 3.92Å; L94-W112 HydrophobicContact CD2-CB 4.49Å; L94-W112 HydrophobicContact CG-CB 3.76Å; V110-W112 HydrophobicContact CB-CD2 4.17Å; V110-W112 HydrophobicContact CB-CG 4.29Å; V110-W112 HydrophobicContact CB-CZ2 4.12Å; V110-W112 HydrophobicContact CG1-CD2 3.64Å; V110-W112 VanDerWaalsContact CG1-CE2 3.48Å; V110-W112 HydrophobicContact CG1-CE3 4.09Å; V110-W112 HydrophobicContact CG1-CG 4.08Å; V110-W112 HydrophobicContact CG1-CH2 4.24Å; V110-W112 HydrophobicContact CG1-CZ2 3.8Å; V110-W112 HydrophobicContact CG1-CZ3 4.37Å; V110-W112 HydrophobicContact CG2-CZ2 4.19Å; V110-W112 PolarHBondContact O-N 3.3Å; W112-F131 AromaticContact CH2-CD1 3.93Å; W112-F131 HydrophobicContact CH2-CD1 3.93Å; W112-F131 AromaticContact CH2-CE1 3.62Å; W112-F131 HydrophobicContact CH2-CE1 3.62Å; W112-F131 HydrophobicContact CZ3-CD1 4.1Å; W112-F131 HydrophobicContact CZ3-CE1 4.23Å; W112-F150 HydrophobicContact CH2-CE1 4.28Å; W112-F150 HydrophobicContact CH2-CZ 4.34Å; W112-F150 AromaticContact CZ2-CD1 3.95Å; W112-F150 HydrophobicContact CZ2-CD1 3.95Å; W112-F150 HydrophobicContact CZ2-CD2 4.11Å; W112-F150 HydrophobicContact CZ2-CE1 4.14Å; W112-F150 HydrophobicContact CZ2-CE2 4.3Å; W112-F150 AromaticContact CZ2-CG 3.95Å; W112-F150 HydrophobicContact CZ2-CG 3.95Å; W112-F150 HydrophobicContact CZ2-CZ 4.31Å; W112-C165 HydrophobicContact CD2-CB 4.34Å; W112-C165 HydrophobicContact CE3-CB 3.58Å; W112-C165 HydrophobicContact CZ3-CB 3.69Å; W112-I166 WeakPolarHBondContact CZ3-O 3.45Å; W112-K167 HydrophobicContact CD2-CB 4.08Å; W112-K167 HydrophobicContact CD2-CD 4.28Å; W112-K167 HydrophobicContact CE3-CB 3.85Å; W112-K167 HydrophobicContact CE3-CD 4.29Å; W112-K167 HydrophobicContact CG-CB 4.4Å; W112-K167 HydrophobicContact CH2-CD 4.15Å; W112-K167 HydrophobicContact CZ2-CD 4.14Å; W112-K167 HydrophobicContact CZ3-CB 4.38Å; W112-K167 HydrophobicContact CZ3-CD 4.23Å
113	Y	97.8	Very high	95.3	Very high	7 Å²	7	37 Å²	37	3%	0.027	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145.6	167.1	-72.9	-106.2	0	0	0	110.4	R93 D111 E118 A119 K122 V164 C165 I166 K167	R93-Y113 VanDerWaalsContact CD-CD1 3.5Å; R93-Y113 VanDerWaalsContact CD-CE1 3.42Å; R93-Y113 PolarHBondContact NE-OH 3.47Å; R93-Y113 VanDerWaalsContact NH1-CZ 3.29Å; R93-Y113 PolarHBondContact NH1-OH 3.16Å; R93-Y113 PolarHBondContact NH2-OH 3.46Å; D111-Y113 WeakPolarHBondContact O-CD2 3.27Å; Y113-E118 HydrophobicContact CD1-CG 4.32Å; Y113-E118 HydrophobicContact CE1-CG 3.93Å; Y113-E118 WeakPolarHBondContact CE1-OE1 3.45Å; Y113-A119 HydrophobicContact CD1-CB 3.9Å; Y113-A119 HydrophobicContact CG-CB 3.94Å; Y113-K122 HydrophobicContact CE1-CD 4.23Å; Y113-K122 HydrophobicContact CE2-CD 4.01Å; Y113-K122 WeakPolarHBondContact OH-CD 3.49Å; Y113-K122 WeakPolarHBondContact OH-CE 3.38Å; Y113-K122 PolarHBondContact OH-NZ 2.86Å; Y113-V164 HydrophobicContact CD2-CG1 4.32Å; Y113-C165 PolarHBondContact N-O 3.25Å; Y113-I166 WeakPolarHBondContact O-CA 3.44Å; Y113-K167 PolarHBondContact O-N 3.47Å
114	P	96.1	Very high	95.4	Very high	27 Å²	27	38.3 Å²	38.3	18%	0.175	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	161.3	160.1	33.5	-36.7	0	0	0	109.8	L94 E97 G116	L94-P114 HydrophobicContact CD2-CB 4.13Å; E97-P114 HydrophobicContact CG-CB 4.38Å; E97-P114 VanDerWaalsContact OE1-CB 3.28Å; E97-P114 WeakPolarHBondContact OE1-CB 3.37Å; E97-P114 VanDerWaalsContact OE1-CG 3.27Å; E97-P114 WeakPolarHBondContact OE1-CG 3.28Å; P114-G116 PolarHBondContact O-N 3.45Å
115	W	95.1	Very high	95.7	Very high	27 Å²	27	44.8 Å²	44.8	10%	0.102	22%	0.215	C	C	.	.	S	Bend	trans	-66.9	115.1	173.1	178.5	-87.5	0	0	0	110.8	F120 L132 I166 L168 R173 V176 Y180 L199 L203 A658	W115-F120 HydrophobicContact CD2-CE1 4.02Å; W115-F120 AromaticContact CD2-CZ 3.65Å; W115-F120 HydrophobicContact CD2-CZ 3.65Å; W115-F120 AromaticContact CE2-CZ 3.42Å; W115-F120 VanDerWaalsContact CE2-CZ 3.42Å; W115-F120 HydrophobicContact CE3-CE1 4.03Å; W115-F120 HydrophobicContact CE3-CZ 4.13Å; W115-F120 HydrophobicContact CG-CZ 4.04Å; W115-F120 HydrophobicContact CH2-CE1 4.18Å; W115-F120 HydrophobicContact CH2-CZ 4.15Å; W115-F120 HydrophobicContact CZ2-CE1 4.21Å; W115-F120 AromaticContact CZ2-CZ 3.71Å; W115-F120 HydrophobicContact CZ2-CZ 3.71Å; W115-F120 HydrophobicContact CZ3-CE1 4.1Å; W115-F120 HydrophobicContact CZ3-CZ 4.35Å; W115-F120 AromaticContact NE1-CZ 3.69Å; W115-L132 HydrophobicContact CE3-CD1 3.8Å; W115-L132 HydrophobicContact CZ3-CD1 3.98Å; W115-L132 HydrophobicContact CZ3-CD2 3.99Å; W115-I166 HydrophobicContact CB-CG2 4.04Å; W115-I166 HydrophobicContact CE3-CD1 4.38Å; W115-I166 HydrophobicContact CE3-CG2 4.05Å; W115-L168 HydrophobicContact CB-CD1 3.29Å; W115-L168 HydrophobicContact CD2-CD1 4Å; W115-L168 HydrophobicContact CE3-CD1 4.27Å; W115-L168 HydrophobicContact CG-CD1 3.61Å; W115-R173 VanDerWaalsContact CD1-NH1 3.28Å; W115-V176 HydrophobicContact CD2-CG1 4.05Å; W115-V176 HydrophobicContact CD2-CG2 4.26Å; W115-V176 HydrophobicContact CE3-CG1 3.99Å; W115-V176 HydrophobicContact CH2-CG1 3.84Å; W115-V176 HydrophobicContact CZ2-CG1 3.85Å; W115-V176 HydrophobicContact CZ2-CG2 3.9Å; W115-V176 HydrophobicContact CZ3-CG1 3.91Å; W115-Y180 AromaticContact CH2-CE2 3.76Å; W115-Y180 HydrophobicContact CH2-CE2 3.76Å; W115-Y180 HydrophobicContact CZ3-CE2 4.07Å; W115-L199 HydrophobicContact CZ3-CD1 4.36Å; W115-L203 HydrophobicContact CH2-CD1 4.25Å; W115-L203 HydrophobicContact CH2-CD2 4.27Å; W115-L203 HydrophobicContact CZ2-CD1 4.3Å; W115-A658 HydrophobicContact CZ2-CB 4.02Å
116	G	93.5	Very high	95.8	Very high	23 Å²	23	48.8 Å²	48.8	24%	0.237	23%	0.233	C	C	.	.	S	Bend	trans	171.5	177.4	179.8	0	0	0	0	0	114.4	P114 E118 A119 F120	P114-G116 PolarHBondContact O-N 3.45Å; G116-E118 VanDerWaalsContact C-N 3.27Å; G116-E118 PolarHBondContact O-N 3.02Å; G116-A119 PolarHBondContact O-N 3.04Å; G116-F120 WeakPolarHBondContact O-CD2 3.37Å; G116-F120 WeakPolarHBondContact O-CG 3.42Å; G116-F120 PolarHBondContact O-N 3.19Å
117	H	93	Very high	95.7	Very high	138 Å²	138	52.5 Å²	52.5	64%	0.639	25%	0.253	S	S	*	.	H	α-helix	trans	-56.9	-34.4	-171.3	-170.5	-82.5	0	0	0	114	A119 F120 E121	H117-A119 VanDerWaalsContact C-N 3.33Å; H117-A119 PolarHBondContact O-N 2.97Å; H117-F120 PolarHBondContact O-N 3.28Å; H117-E121 WeakPolarHBondContact CE1-CG 3.32Å; H117-E121 WeakPolarHBondContact ND1-CG 3.49Å; H117-E121 WeakPolarHBondContact O-CB 3.36Å; H117-E121 WeakPolarHBondContact O-CG 3.31Å; H117-E121 PolarHBondContact O-N 2.96Å
118	E	95.2	Very high	95.7	Very high	115 Å²	115	50.3 Å²	50.3	54%	0.537	24%	0.242	S	C	.	.	H	α-helix	trans	-58.7	-44.5	177.2	-168.5	-169.4	161.7	0	0	111.6	R93 Y113 G116 K122	R93-E118 WeakPolarHBondContact CD-OE1 3.4Å; R93-E118 IonicContact CZ-OE1 3.41Å; R93-E118 IonicContact NE-OE1 2.7Å; R93-E118 PolarHBondContact NE-OE1 2.93Å; R93-E118 IonicContact NE-OE2 3.67Å; R93-E118 IonicContact NH2-OE1 3.97Å; Y113-E118 HydrophobicContact CD1-CG 4.32Å; Y113-E118 HydrophobicContact CE1-CG 3.93Å; Y113-E118 WeakPolarHBondContact CE1-OE1 3.45Å; G116-E118 VanDerWaalsContact C-N 3.27Å; G116-E118 PolarHBondContact O-N 3.02Å; E118-K122 WeakPolarHBondContact O-CB 3.35Å; E118-K122 PolarHBondContact O-N 3.07Å; E118-K122 VanDerWaalsContact O-N 3.11Å
119	A	96.6	Very high	95.9	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-68.9	-43	179.5	0	0	0	0	0	111.4	Y113 G116 H117 K122 A123 V164 I166	Y113-A119 HydrophobicContact CD1-CB 3.9Å; Y113-A119 HydrophobicContact CG-CB 3.94Å; G116-A119 PolarHBondContact O-N 3.04Å; H117-A119 VanDerWaalsContact C-N 3.33Å; H117-A119 PolarHBondContact O-N 2.97Å; A119-K122 PolarHBondContact O-N 3.1Å; A119-A123 WeakPolarHBondContact O-CB 3.39Å; A119-A123 PolarHBondContact O-N 2.7Å; A119-V164 HydrophobicContact CB-CG1 4.09Å; A119-I166 HydrophobicContact CB-CD1 3.56Å; A119-I166 HydrophobicContact CB-CG1 3.78Å
120	F	96.2	Very high	96.1	Very high	19 Å²	19	49.2 Å²	49.2	8%	0.083	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-45	-177.9	-50.3	-27.4	0	0	0	111.8	W115 G116 H117 K122 A123 K124 I130 I166 L203 A658	W115-F120 HydrophobicContact CD2-CE1 4.02Å; W115-F120 AromaticContact CD2-CZ 3.65Å; W115-F120 HydrophobicContact CD2-CZ 3.65Å; W115-F120 AromaticContact CE2-CZ 3.42Å; W115-F120 VanDerWaalsContact CE2-CZ 3.42Å; W115-F120 HydrophobicContact CE3-CE1 4.03Å; W115-F120 HydrophobicContact CE3-CZ 4.13Å; W115-F120 HydrophobicContact CG-CZ 4.04Å; W115-F120 HydrophobicContact CH2-CE1 4.18Å; W115-F120 HydrophobicContact CH2-CZ 4.15Å; W115-F120 HydrophobicContact CZ2-CE1 4.21Å; W115-F120 AromaticContact CZ2-CZ 3.71Å; W115-F120 HydrophobicContact CZ2-CZ 3.71Å; W115-F120 HydrophobicContact CZ3-CE1 4.1Å; W115-F120 HydrophobicContact CZ3-CZ 4.35Å; W115-F120 AromaticContact NE1-CZ 3.69Å; G116-F120 WeakPolarHBondContact O-CD2 3.37Å; G116-F120 WeakPolarHBondContact O-CG 3.42Å; G116-F120 PolarHBondContact O-N 3.19Å; H117-F120 PolarHBondContact O-N 3.28Å; F120-K122 VanDerWaalsContact C-N 3.34Å; F120-K122 PolarHBondContact O-N 3.35Å; F120-A123 WeakPolarHBondContact O-CB 3.4Å; F120-A123 PolarHBondContact O-N 3.18Å; F120-K124 WeakPolarHBondContact O-CG 3.37Å; F120-K124 PolarHBondContact O-N 3.07Å; F120-I130 HydrophobicContact CD1-CD1 4.41Å; F120-I166 HydrophobicContact CD1-CD1 4.04Å; F120-I166 HydrophobicContact CE1-CD1 3.73Å; F120-L203 HydrophobicContact CD1-CD2 3.56Å; F120-L203 HydrophobicContact CE1-CD1 4.44Å; F120-L203 HydrophobicContact CE1-CD2 3.72Å; F120-L203 HydrophobicContact CE2-CD1 4.4Å; F120-L203 HydrophobicContact CG-CD2 4.17Å; F120-L203 HydrophobicContact CZ-CD1 4.38Å; F120-L203 HydrophobicContact CZ-CD2 4.45Å; F120-A658 HydrophobicContact CE2-CB 3.74Å; F120-A658 HydrophobicContact CZ-CB 4.22Å
121	E	96.7	Very high	96.2	Very high	75 Å²	75	49.2 Å²	49.2	35%	0.35	24%	0.235	S	C	.	.	H	α-helix	trans	-69.1	-33.9	177.8	-69.9	-54.5	115.9	0	0	112.3	H117 K124 K125	H117-E121 WeakPolarHBondContact CE1-CG 3.32Å; H117-E121 WeakPolarHBondContact ND1-CG 3.49Å; H117-E121 WeakPolarHBondContact O-CB 3.36Å; H117-E121 WeakPolarHBondContact O-CG 3.31Å; H117-E121 PolarHBondContact O-N 2.96Å; E121-K124 PolarHBondContact O-N 3.06Å; E121-K124 IonicContact OE1-NZ 2.83Å; E121-K124 PolarHBondContact OE1-NZ 2.83Å; E121-K125 WeakPolarHBondContact O-CB 3.31Å; E121-K125 PolarHBondContact O-N 3.39Å
122	K	97.1	Very high	96.3	Very high	45 Å²	45	46.8 Å²	46.8	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-46.2	170.2	179.2	170.5	167.2	164	0	111	D111 Y113 E118 A119 F120 K124 K125 E126 V164	D111-K122 IonicContact OD2-NZ 2.76Å; D111-K122 PolarHBondContact OD2-NZ 2.81Å; Y113-K122 HydrophobicContact CE1-CD 4.23Å; Y113-K122 HydrophobicContact CE2-CD 4.01Å; Y113-K122 WeakPolarHBondContact OH-CD 3.49Å; Y113-K122 WeakPolarHBondContact OH-CE 3.38Å; Y113-K122 PolarHBondContact OH-NZ 2.86Å; E118-K122 WeakPolarHBondContact O-CB 3.35Å; E118-K122 PolarHBondContact O-N 3.07Å; E118-K122 VanDerWaalsContact O-N 3.11Å; A119-K122 PolarHBondContact O-N 3.1Å; F120-K122 VanDerWaalsContact C-N 3.34Å; F120-K122 PolarHBondContact O-N 3.35Å; K122-K124 VanDerWaalsContact C-N 3.32Å; K122-K124 PolarHBondContact O-N 2.94Å; K122-K125 PolarHBondContact O-N 3.46Å; K122-E126 WeakPolarHBondContact CE-OE1 3.27Å; K122-E126 HydrophobicContact CG-CG 4.21Å; K122-E126 WeakPolarHBondContact CG-OE1 3.39Å; K122-E126 IonicContact NZ-OE1 3.47Å; K122-E126 WeakPolarHBondContact O-CB 3.39Å; K122-E126 PolarHBondContact O-N 2.92Å; K122-V164 HydrophobicContact CB-CG2 4.44Å; K122-V164 HydrophobicContact CD-CG2 4.34Å; K122-V164 HydrophobicContact CG-CG2 3.92Å
123	A	97.3	Very high	96.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-43.1	179.7	0	0	0	0	0	111.8	A119 F120 D127 K128 I130 V164 P201	A119-A123 WeakPolarHBondContact O-CB 3.39Å; A119-A123 PolarHBondContact O-N 2.7Å; F120-A123 WeakPolarHBondContact O-CB 3.4Å; F120-A123 PolarHBondContact O-N 3.18Å; A123-D127 WeakPolarHBondContact O-CA 3.45Å; A123-D127 PolarHBondContact O-N 2.8Å; A123-K128 PolarHBondContact O-N 2.99Å; A123-I130 HydrophobicContact CB-CD1 3.77Å; A123-I130 HydrophobicContact CB-CG1 3.55Å; A123-V164 HydrophobicContact CB-CB 4.13Å; A123-V164 HydrophobicContact CB-CG2 3.87Å; A123-P201 HydrophobicContact CB-CB 4.36Å
124	K	96.2	Very high	96.2	Very high	96 Å²	96	46.4 Å²	46.4	42%	0.417	22%	0.221	S	C	.	.	H	α-helix	trans	-67	-44.6	175.6	-67.6	174	-169.6	164.3	0	112.8	F120 E121 K122 D127 P201	F120-K124 WeakPolarHBondContact O-CG 3.37Å; F120-K124 PolarHBondContact O-N 3.07Å; E121-K124 PolarHBondContact O-N 3.06Å; E121-K124 IonicContact OE1-NZ 2.83Å; E121-K124 PolarHBondContact OE1-NZ 2.83Å; K122-K124 VanDerWaalsContact C-N 3.32Å; K122-K124 PolarHBondContact O-N 2.94Å; K124-D127 PolarHBondContact O-N 3.2Å; K124-P201 HydrophobicContact CG-CB 3.96Å
125	K	97.4	Very high	96.1	Very high	188 Å²	188	45.1 Å²	45.1	82%	0.817	21%	0.213	S	C	*	.	H	α-helix	trans	-69.1	-40.9	-177.1	-177	-178.2	177.4	-175.7	0	112.6	E121 K122 D127	E121-K125 WeakPolarHBondContact O-CB 3.31Å; E121-K125 PolarHBondContact O-N 3.39Å; K122-K125 PolarHBondContact O-N 3.46Å; K125-D127 VanDerWaalsContact C-N 3.31Å
126	E	95.9	Very high	95.8	Very high	86 Å²	86	44.1 Å²	44.1	40%	0.402	21%	0.209	S	C	.	.	H	α-helix	trans	-85.7	-7.3	178	-65.6	-172.1	-161.3	0	0	112.8	K122 K128	K122-E126 WeakPolarHBondContact CE-OE1 3.27Å; K122-E126 HydrophobicContact CG-CG 4.21Å; K122-E126 WeakPolarHBondContact CG-OE1 3.39Å; K122-E126 IonicContact NZ-OE1 3.47Å; K122-E126 WeakPolarHBondContact O-CB 3.39Å; K122-E126 PolarHBondContact O-N 2.92Å; E126-K128 VanDerWaalsContact C-N 3.26Å; E126-K128 HydrophobicContact CB-CD 4.07Å; E126-K128 HydrophobicContact CB-CG 4.09Å; E126-K128 PolarHBondContact O-N 2.95Å; E126-K128 WeakPolarHBondContact OE2-CD 3.5Å; E126-K128 WeakPolarHBondContact OE2-CE 3.23Å; E126-K128 IonicContact OE2-NZ 2.69Å; E126-K128 PolarHBondContact OE2-NZ 3.12Å
127	D	92.8	Very high	95.5	Very high	80 Å²	80	43 Å²	43	43%	0.428	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	40.5	-179.5	-162.9	32.9	0	0	0	113	A123 K124 K125 W234 R238	A123-D127 WeakPolarHBondContact O-CA 3.45Å; A123-D127 PolarHBondContact O-N 2.8Å; K124-D127 PolarHBondContact O-N 3.2Å; K125-D127 VanDerWaalsContact C-N 3.31Å; D127-W234 PolarHBondContact O-NE1 3.4Å; D127-R238 IonicContact OD1-CZ 3.93Å; D127-R238 IonicContact OD1-NH1 3.47Å; D127-R238 PolarHBondContact OD1-NH1 3.45Å; D127-R238 IonicContact OD1-NH2 3.58Å; D127-R238 PolarHBondContact OD1-NH2 3.01Å; D127-R238 IonicContact OD2-CZ 3.08Å; D127-R238 IonicContact OD2-NH1 2.73Å; D127-R238 PolarHBondContact OD2-NH1 3.44Å; D127-R238 IonicContact OD2-NH2 3.05Å
128	K	95.8	Very high	95	Very high	51 Å²	51	36.5 Å²	36.5	22%	0.222	17%	0.167	C	C	.	.			trans	-109.1	143.4	-176.5	-75.3	179.6	-179.1	169.2	0	111.5	A123 E126 D161 V164	A123-K128 PolarHBondContact O-N 2.99Å; E126-K128 VanDerWaalsContact C-N 3.26Å; E126-K128 HydrophobicContact CB-CD 4.07Å; E126-K128 HydrophobicContact CB-CG 4.09Å; E126-K128 PolarHBondContact O-N 2.95Å; E126-K128 WeakPolarHBondContact OE2-CD 3.5Å; E126-K128 WeakPolarHBondContact OE2-CE 3.23Å; E126-K128 IonicContact OE2-NZ 2.69Å; E126-K128 PolarHBondContact OE2-NZ 3.12Å; K128-D161 WeakPolarHBondContact CE-O 3.25Å; K128-D161 PolarHBondContact NZ-O 3.45Å; K128-D161 VanDerWaalsContact NZ-O 3.1Å; K128-V164 HydrophobicContact CB-CG2 4.35Å
129	P	97.2	Very high	94.5	Very high	4 Å²	4	31.2 Å²	31.2	3%	0.026	14%	0.143	C	C	.	.			trans	-65.3	153.6	170.5	28.1	-29.4	0	0	0	110.4	F163 V164 L199 F206 W234	P129-F163 HydrophobicContact CB-CD1 4.17Å; P129-F163 HydrophobicContact CB-CE1 4.43Å; P129-F163 HydrophobicContact CG-CD1 3.61Å; P129-F163 HydrophobicContact CG-CE1 3.76Å; P129-F163 WeakPolarHBondContact O-CA 3.5Å; P129-V164 PolarHBondContact O-N 3.05Å; P129-L199 WeakPolarHBondContact CA-O 3.4Å; P129-F206 HydrophobicContact CB-CE1 4.35Å; P129-F206 HydrophobicContact CB-CZ 4.21Å; P129-W234 HydrophobicContact CB-CD2 4.14Å; P129-W234 HydrophobicContact CB-CE3 4.19Å; P129-W234 HydrophobicContact CB-CZ3 4.47Å; P129-W234 HydrophobicContact CG-CD2 3.98Å; P129-W234 HydrophobicContact CG-CE3 4.48Å; P129-W234 HydrophobicContact CG-CG 3.99Å
130	I	98.1	Very high	93.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.8	175.5	-66.5	163.4	0	0	0	108.5	F120 A123 V164 I166 W198 L199 L203	F120-I130 HydrophobicContact CD1-CD1 4.41Å; A123-I130 HydrophobicContact CB-CD1 3.77Å; A123-I130 HydrophobicContact CB-CG1 3.55Å; I130-V164 CarbonylContact C-O 3.57Å; I130-V164 VanDerWaalsContact CA-O 3.3Å; I130-V164 WeakPolarHBondContact CA-O 3.4Å; I130-V164 HydrophobicContact CG1-CB 4.28Å; I130-I166 HydrophobicContact CD1-CD1 4.47Å; I130-I166 HydrophobicContact CG2-CB 4.44Å; I130-I166 HydrophobicContact CG2-CD1 3.64Å; I130-I166 HydrophobicContact CG2-CG1 3.94Å; I130-W198 CarbonylContact O-C 3.38Å; I130-W198 VanDerWaalsContact O-CA 3.31Å; I130-W198 WeakPolarHBondContact O-CA 3.31Å; I130-L199 HydrophobicContact CB-CB 4.09Å; I130-L199 HydrophobicContact CB-CD1 4.47Å; I130-L199 HydrophobicContact CB-CG 4.46Å; I130-L199 HydrophobicContact CG2-CD1 4.1Å; I130-L199 HydrophobicContact CG2-CG 4.41Å; I130-L199 PolarHBondContact N-O 3.27Å; I130-L199 PolarHBondContact O-N 3.17Å; I130-L203 HydrophobicContact CD1-CD2 3.57Å
131	F	98.2	Very high	93.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	109.6	163.8	173.5	-124.9	0	0	0	108.7	W112 F150 L159 F163 V164 C165 I166 W198 F223	W112-F131 AromaticContact CH2-CD1 3.93Å; W112-F131 HydrophobicContact CH2-CD1 3.93Å; W112-F131 AromaticContact CH2-CE1 3.62Å; W112-F131 HydrophobicContact CH2-CE1 3.62Å; W112-F131 HydrophobicContact CZ3-CD1 4.1Å; W112-F131 HydrophobicContact CZ3-CE1 4.23Å; F131-F150 AromaticContact CE1-CE1 3.94Å; F131-F150 HydrophobicContact CE1-CE1 3.94Å; F131-F150 HydrophobicContact CE1-CZ 4.3Å; F131-F150 HydrophobicContact CZ-CE1 4.16Å; F131-F150 HydrophobicContact CZ-CZ 4.29Å; F131-L159 HydrophobicContact CB-CD2 4.33Å; F131-L159 HydrophobicContact CD1-CD1 4.24Å; F131-L159 HydrophobicContact CD1-CD2 3.46Å; F131-L159 VanDerWaalsContact CD1-CD2 3.46Å; F131-L159 HydrophobicContact CD1-CG 4.49Å; F131-L159 HydrophobicContact CE1-CD1 4.04Å; F131-L159 HydrophobicContact CE1-CD2 3.88Å; F131-L159 HydrophobicContact CG-CD2 3.94Å; F131-F163 HydrophobicContact CB-CB 3.98Å; F131-F163 HydrophobicContact CB-CD1 4.35Å; F131-F163 HydrophobicContact CB-CG 4.22Å; F131-V164 PolarHBondContact N-O 3.17Å; F131-C165 CarbonylContact O-C 3.55Å; F131-C165 WeakPolarHBondContact O-CA 3.5Å; F131-I166 PolarHBondContact O-N 2.93Å; F131-W198 HydrophobicContact CD2-CD2 4.05Å; F131-W198 AromaticContact CD2-CE2 3.52Å; F131-W198 HydrophobicContact CD2-CG 4.46Å; F131-W198 HydrophobicContact CD2-CH2 4.41Å; F131-W198 AromaticContact CD2-CZ2 3.74Å; F131-W198 HydrophobicContact CD2-CZ2 3.74Å; F131-W198 AromaticContact CD2-NE1 3.59Å; F131-W198 AromaticContact CE2-CE2 3.93Å; F131-W198 AromaticContact CE2-CH2 4Å; F131-W198 HydrophobicContact CE2-CH2 4Å; F131-W198 AromaticContact CE2-CZ2 3.65Å; F131-W198 HydrophobicContact CE2-CZ2 3.65Å; F131-F223 HydrophobicContact CE1-CZ 4.04Å; F131-F223 HydrophobicContact CE2-CE2 4.38Å; F131-F223 HydrophobicContact CE2-CZ 4.21Å; F131-F223 HydrophobicContact CZ-CE2 4.14Å; F131-F223 AromaticContact CZ-CZ 3.62Å; F131-F223 HydrophobicContact CZ-CZ 3.62Å
132	L	97.7	Very high	92.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.4	177.3	178.6	64.7	0	0	0	109.9	W115 V134 I166 L168 V176 Y180 V197 L199	W115-L132 HydrophobicContact CE3-CD1 3.8Å; W115-L132 HydrophobicContact CZ3-CD1 3.98Å; W115-L132 HydrophobicContact CZ3-CD2 3.99Å; L132-V134 HydrophobicContact CD1-CG2 4.18Å; L132-V134 HydrophobicContact CD2-CG2 4.01Å; L132-V134 HydrophobicContact CG-CG2 3.8Å; L132-I166 HydrophobicContact CD1-CB 4.04Å; L132-I166 HydrophobicContact CD1-CG2 3.82Å; L132-L168 HydrophobicContact CD1-CB 4.01Å; L132-V176 HydrophobicContact CD2-CG1 4.46Å; L132-Y180 HydrophobicContact CD2-CD2 3.32Å; L132-Y180 HydrophobicContact CD2-CE2 3.53Å; L132-Y180 HydrophobicContact CD2-CG 3.93Å; L132-V197 HydrophobicContact CB-CB 4.49Å; L132-V197 PolarHBondContact N-O 3.18Å; L132-V197 PolarHBondContact O-N 2.69Å; L132-L199 HydrophobicContact CB-CD1 4.16Å; L132-L199 HydrophobicContact CB-CG 4.45Å; L132-L199 HydrophobicContact CD2-CD1 4.19Å
133	S	97	Very high	91.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.6	172.9	179.8	0	0	0	0	110.6	I166 K167 L168 M195	S133-I166 PolarHBondContact N-O 3.22Å; S133-K167 PolarHBondContact OG-NZ 3.41Å; S133-L168 PolarHBondContact O-N 3.33Å; S133-M195 CarbonylContact C-O 3.58Å; S133-M195 WeakPolarHBondContact CA-O 3.28Å
134	V	96.4	Very high	90.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.7	-177.1	-172.7	0	0	0	0	111	L132 L168 R170 D177 M195	L132-V134 HydrophobicContact CD1-CG2 4.18Å; L132-V134 HydrophobicContact CD2-CG2 4.01Å; L132-V134 HydrophobicContact CG-CG2 3.8Å; V134-L168 WeakPolarHBondContact CA-O 2.97Å; V134-L168 HydrophobicContact CB-CB 4.49Å; V134-L168 HydrophobicContact CB-CD2 4.33Å; V134-L168 HydrophobicContact CG1-CB 4.43Å; V134-L168 HydrophobicContact CG1-CD2 3.78Å; V134-L168 HydrophobicContact CG2-CB 4.06Å; V134-L168 HydrophobicContact CG2-CD2 3.74Å; V134-R170 HydrophobicContact CG1-CB 3.86Å; V134-D177 HydrophobicContact CG1-CB 4.23Å; V134-D177 WeakPolarHBondContact CG1-OD1 3.46Å; V134-M195 HydrophobicContact CB-CB 4.22Å; V134-M195 HydrophobicContact CB-CE 3.76Å; V134-M195 HydrophobicContact CG1-CE 4.2Å; V134-M195 HydrophobicContact CG2-CE 3.53Å; V134-M195 PolarHBondContact N-O 3.06Å; V134-M195 PolarHBondContact O-N 3.09Å
135	G	93.8	Very high	90.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	-159.5	173.6	0	0	0	0	0	111.8	Y101 L168 D169 R170	Y101-G135 WeakPolarHBondContact CE1-O 3.15Å; Y101-G135 VanDerWaalsContact CZ-C 3.44Å; Y101-G135 VanDerWaalsContact CZ-CA 3.46Å; Y101-G135 WeakPolarHBondContact OH-CA 3.33Å; Y101-G135 PolarHBondContact OH-N 3.3Å; G135-L168 PolarHBondContact N-O 3.05Å; G135-L168 VanDerWaalsContact N-O 3.16Å; G135-D169 WeakPolarHBondContact O-CA 3.13Å; G135-R170 PolarHBondContact O-N 3.04Å
136	Y	90.4	Very high	89.8	Confident	6 Å²	6	17 Å²	17	2%	0.024	8%	0.079	C	C	.	.			trans	-153.5	162.7	180	55.6	-75.1	0	0	0	109.7	Y101 T138 C139 R170 W193 R348 E361 M363	Y101-Y136 WeakPolarHBondContact CD2-O 3.35Å; Y136-T138 WeakPolarHBondContact CD2-OG1 3.15Å; Y136-T138 PolarHBondContact O-N 3.15Å; Y136-C139 HydrophobicContact CD1-CB 4.2Å; Y136-C139 HydrophobicContact CD2-CB 4.08Å; Y136-C139 HydrophobicContact CE1-CB 3.73Å; Y136-C139 HydrophobicContact CE2-CB 3.61Å; Y136-C139 HydrophobicContact CG-CB 4.32Å; Y136-C139 WeakPolarHBondContact O-CB 3.47Å; Y136-C139 PolarHBondContact O-N 3.14Å; Y136-C139 WeakPolarHBondContact OH-CB 3.24Å; Y136-C139 PolarHBondContact OH-SG 2.65Å; Y136-R170 HydrophobicContact CD1-CG 3.93Å; Y136-R170 HydrophobicContact CG-CG 4.36Å; Y136-W193 HydrophobicContact CD1-CG 4.48Å; Y136-W193 HydrophobicContact CE1-CB 3.99Å; Y136-W193 HydrophobicContact CE1-CD2 4.21Å; Y136-W193 HydrophobicContact CE1-CE3 4.19Å; Y136-W193 HydrophobicContact CE1-CG 4.13Å; Y136-R348 PolarHBondContact OH-NH1 3.49Å; Y136-E361 VanDerWaalsContact CE2-OE2 3.3Å; Y136-E361 WeakPolarHBondContact CE2-OE2 3.47Å; Y136-E361 PolarHBondContact OH-OE2 3.42Å; Y136-M363 HydrophobicContact CD2-CE 4.2Å; Y136-M363 HydrophobicContact CE2-CE 4.21Å
137	S	86	Confident	89.3	Confident	0 Å²	0	18 Å²	18	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-25.3	-158.8	68.4	0	0	0	0	115.4	Q104 H143 D531	Q104-S137 PolarHBondContact NE2-O 2.86Å; S137-H143 PolarHBondContact O-CE1 3.48Å; S137-H143 PolarHBondContact O-NE2 3.01Å; S137-D531 WeakPolarHBondContact CB-OD2 3.48Å; S137-D531 VanDerWaalsContact OG-CB 3.3Å; S137-D531 WeakPolarHBondContact OG-CB 3.06Å; S137-D531 VanDerWaalsContact OG-CG 3.24Å; S137-D531 PolarHBondContact OG-OD2 3.32Å
138	T	82.8	Confident	89	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-0.2	-174.8	58.6	0	0	0	0	113.6	Y136 H140 A411 D413 D531	Y136-T138 WeakPolarHBondContact CD2-OG1 3.15Å; Y136-T138 PolarHBondContact O-N 3.15Å; T138-H140 PolarHBondContact O-N 3.37Å; T138-A411 HydrophobicContact CG2-CB 3.54Å; T138-D413 HydrophobicContact CG2-CB 4.23Å; T138-D531 HydrophobicContact CG2-CB 4.37Å
139	C	84.3	Confident	88.7	Confident	5 Å²	5	14.3 Å²	14.3	3%	0.034	6%	0.06	C	C	.	.			trans	-77.9	114.8	-175	-173.6	0	0	0	0	112.3	Y136 W141 C142 H143	Y136-C139 HydrophobicContact CD1-CB 4.2Å; Y136-C139 HydrophobicContact CD2-CB 4.08Å; Y136-C139 HydrophobicContact CE1-CB 3.73Å; Y136-C139 HydrophobicContact CE2-CB 3.61Å; Y136-C139 HydrophobicContact CG-CB 4.32Å; Y136-C139 WeakPolarHBondContact O-CB 3.47Å; Y136-C139 PolarHBondContact O-N 3.14Å; Y136-C139 WeakPolarHBondContact OH-CB 3.24Å; Y136-C139 PolarHBondContact OH-SG 2.65Å; C139-W141 PolarHBondContact O-N 3.08Å; C139-C142 HydrophobicContact CB-CB 3.79Å; C139-C142 VanDerWaalsContact CB-SG 3.51Å; C139-C142 WeakPolarHBondContact O-CB 3.42Å; C139-C142 PolarHBondContact O-N 3.21Å; C139-C142 PolarHBondContact SG-SG 3.28Å; C139-H143 PolarHBondContact O-N 2.81Å
140	H	80.4	Confident	88.4	Confident	6 Å²	6	14.2 Å²	14.2	3%	0.028	6%	0.059	C	C	.	.	H	α-helix	trans	-53.8	-49.6	176.3	179.7	70.7	0	0	0	113	T138 C142 H143 V144 A414 D415 E427 E480	T138-H140 PolarHBondContact O-N 3.37Å; H140-C142 PolarHBondContact O-N 2.93Å; H140-H143 WeakPolarHBondContact O-CA 3.37Å; H140-H143 WeakPolarHBondContact O-CB 3.33Å; H140-H143 PolarHBondContact O-N 3.42Å; H140-V144 WeakPolarHBondContact NE2-CG2 3.4Å; H140-V144 WeakPolarHBondContact O-CG2 3.47Å; H140-V144 PolarHBondContact O-N 2.85Å; H140-A414 HydrophobicContact CB-CB 4.38Å; H140-D415 IonicContact CE1-OD1 3.79Å; H140-D415 IonicContact CG-OD1 3.99Å; H140-D415 IonicContact ND1-OD1 3.75Å; H140-D415 PolarHBondContact ND1-OD1 2.85Å; H140-D415 IonicContact ND1-OD2 3.67Å; H140-D415 PolarHBondContact ND1-OD2 2.96Å; H140-E427 IonicContact CD2-OE2 2.75Å; H140-E427 IonicContact CG-OE2 2.67Å; H140-E480 IonicContact CE1-OE2 2.86Å; H140-E480 PolarHBondContact CE1-OE2 3.22Å
141	W	84.6	Confident	88	Confident	76 Å²	76	19.6 Å²	19.6	29%	0.288	8%	0.083	S	C	.	.	H	α-helix	trans	-64.5	-25.3	-179.6	-73	102.2	0	0	0	113.5	C139 V144 M145 Y211 H359 H478	C139-W141 PolarHBondContact O-N 3.08Å; W141-V144 HydrophobicContact CE3-CB 4.42Å; W141-V144 HydrophobicContact CE3-CG1 4.39Å; W141-V144 HydrophobicContact CZ3-CG1 4.49Å; W141-M145 PolarHBondContact O-N 3.2Å; W141-M145 VanDerWaalsContact O-N 3.08Å; W141-Y211 HydrophobicContact CE3-CD1 4.44Å; W141-Y211 HydrophobicContact CE3-CD2 4.49Å; W141-Y211 HydrophobicContact CE3-CG 4.3Å; W141-Y211 HydrophobicContact CZ3-CD1 4.23Å; W141-Y211 HydrophobicContact CZ3-CE1 4.33Å; W141-H359 AromaticContact NE1-CE1 3.84Å; W141-H478 AromaticContact CH2-NE2 3.68Å; W141-H478 AromaticContact CZ3-NE2 3.81Å
142	C	84.4	Confident	87.8	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.014	10%	0.098	C	C	.	.	H	α-helix	trans	-69.3	-41.1	171.9	-66.6	0	0	0	0	110.9	Y101 C139 H140 M145 E146	Y101-C142 HydrophobicContact CE2-CB 4.07Å; C139-C142 HydrophobicContact CB-CB 3.79Å; C139-C142 VanDerWaalsContact CB-SG 3.51Å; C139-C142 WeakPolarHBondContact O-CB 3.42Å; C139-C142 PolarHBondContact O-N 3.21Å; C139-C142 PolarHBondContact SG-SG 3.28Å; H140-C142 PolarHBondContact O-N 2.93Å; C142-M145 PolarHBondContact O-N 2.84Å; C142-E146 VanDerWaalsContact O-CB 3.3Å; C142-E146 WeakPolarHBondContact O-CB 3.4Å; C142-E146 PolarHBondContact O-N 3.35Å
143	H	78.1	Confident	87.6	Confident	24 Å²	24	26.4 Å²	26.4	11%	0.111	12%	0.116	C	C	.	.	H	α-helix	trans	-64.1	-40.6	173.8	-61.6	-36.2	0	0	0	112	Q104 S137 C139 H140 E146 R147 D413 D415	Q104-H143 PolarHBondContact OE1-CE1 3.3Å; S137-H143 PolarHBondContact O-CE1 3.48Å; S137-H143 PolarHBondContact O-NE2 3.01Å; C139-H143 PolarHBondContact O-N 2.81Å; H140-H143 WeakPolarHBondContact O-CA 3.37Å; H140-H143 WeakPolarHBondContact O-CB 3.33Å; H140-H143 PolarHBondContact O-N 3.42Å; H143-E146 WeakPolarHBondContact O-CB 3.36Å; H143-E146 PolarHBondContact O-N 3.11Å; H143-R147 VanDerWaalsContact O-CB 3.31Å; H143-R147 WeakPolarHBondContact O-CB 3.11Å; H143-R147 PolarHBondContact O-N 3.5Å; H143-D413 IonicContact CD2-OD1 2.76Å; H143-D413 IonicContact NE2-OD1 2.75Å; H143-D413 PolarHBondContact NE2-OD1 2.95Å; H143-D413 IonicContact NE2-OD2 3.22Å; H143-D413 PolarHBondContact NE2-OD2 3.04Å; H143-D415 IonicContact CD2-OD2 3Å
144	V	79.7	Confident	87.5	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-58.9	-49.8	174.8	174.7	0	0	0	0	110.6	H140 W141 E146 R147 E148 Y211	H140-V144 WeakPolarHBondContact NE2-CG2 3.4Å; H140-V144 WeakPolarHBondContact O-CG2 3.47Å; H140-V144 PolarHBondContact O-N 2.85Å; W141-V144 HydrophobicContact CE3-CB 4.42Å; W141-V144 HydrophobicContact CE3-CG1 4.39Å; W141-V144 HydrophobicContact CZ3-CG1 4.49Å; V144-E146 VanDerWaalsContact C-N 3.3Å; V144-E146 PolarHBondContact O-N 3.02Å; V144-R147 PolarHBondContact O-N 3.5Å; V144-E148 HydrophobicContact CG1-CG 4.36Å; V144-E148 VanDerWaalsContact O-CB 3.28Å; V144-E148 WeakPolarHBondContact O-CB 3.48Å; V144-E148 WeakPolarHBondContact O-CG 3.42Å; V144-E148 PolarHBondContact O-N 2.82Å; V144-Y211 HydrophobicContact CG1-CE2 3.99Å
145	M	87.1	Confident	87.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-38	177.4	-173.2	68.9	-175.5	0	0	112.5	W141 C142 S149 F150 P194 Y211 F223	W141-M145 PolarHBondContact O-N 3.2Å; W141-M145 VanDerWaalsContact O-N 3.08Å; C142-M145 PolarHBondContact O-N 2.84Å; M145-S149 WeakPolarHBondContact O-CA 3.38Å; M145-S149 WeakPolarHBondContact O-CB 3.34Å; M145-S149 PolarHBondContact O-N 3.33Å; M145-F150 HydrophobicContact CB-CE2 4.38Å; M145-F150 HydrophobicContact CE-CE1 3.71Å; M145-F150 HydrophobicContact CE-CZ 3.73Å; M145-F150 HydrophobicContact CG-CD2 4.26Å; M145-F150 HydrophobicContact CG-CE1 4.27Å; M145-F150 HydrophobicContact CG-CE2 3.57Å; M145-F150 HydrophobicContact CG-CZ 3.58Å; M145-F150 PolarHBondContact O-N 2.81Å; M145-P194 HydrophobicContact CB-CB 4.48Å; M145-P194 HydrophobicContact CB-CG 3.84Å; M145-P194 HydrophobicContact CG-CG 4.24Å; M145-Y211 HydrophobicContact CB-CD2 4.08Å; M145-Y211 HydrophobicContact CB-CE2 4.06Å; M145-Y211 HydrophobicContact CG-CD2 4.47Å; M145-Y211 HydrophobicContact SD-CD2 3.76Å; M145-Y211 HydrophobicContact SD-CE2 3.72Å; M145-F223 HydrophobicContact CE-CD1 3.82Å; M145-F223 HydrophobicContact CE-CD2 3.95Å; M145-F223 HydrophobicContact CE-CE1 3.76Å; M145-F223 HydrophobicContact CE-CE2 3.88Å; M145-F223 HydrophobicContact CE-CG 3.93Å; M145-F223 HydrophobicContact CE-CZ 3.8Å
146	E	85.8	Confident	87.4	Confident	15 Å²	15	31.7 Å²	31.7	7%	0.07	14%	0.141	C	C	.	.	I	π-helix	trans	-62.6	-52.7	177.2	-167.7	-92.7	163.6	0	0	112	H105 N108 C142 H143 V144 F150 K151	H105-E146 WeakPolarHBondContact CE1-CG 3.15Å; H105-E146 WeakPolarHBondContact ND1-CG 3.46Å; N108-E146 PolarHBondContact ND2-OE1 2.79Å; N108-E146 PolarHBondContact OD1-OE1 2.95Å; C142-E146 VanDerWaalsContact O-CB 3.3Å; C142-E146 WeakPolarHBondContact O-CB 3.4Å; C142-E146 PolarHBondContact O-N 3.35Å; H143-E146 WeakPolarHBondContact O-CB 3.36Å; H143-E146 PolarHBondContact O-N 3.11Å; V144-E146 VanDerWaalsContact C-N 3.3Å; V144-E146 PolarHBondContact O-N 3.02Å; E146-F150 HydrophobicContact CB-CD2 4.44Å; E146-F150 PolarHBondContact O-N 3.04Å; E146-F150 VanDerWaalsContact O-N 3.12Å; E146-K151 PolarHBondContact O-N 3.31Å; E146-K151 WeakPolarHBondContact OE1-CD 3.41Å; E146-K151 WeakPolarHBondContact OE1-CE 3.29Å; E146-K151 IonicContact OE1-NZ 2.61Å; E146-K151 PolarHBondContact OE1-NZ 3.44Å; E146-K151 IonicContact OE2-NZ 3.11Å; E146-K151 PolarHBondContact OE2-NZ 2.91Å
147	R	84.6	Confident	87.6	Confident	108 Å²	108	37.3 Å²	37.3	41%	0.408	17%	0.166	S	C	.	.	I	π-helix	trans	-63	-46.2	179.6	-177.5	179.4	67.5	-162.8	-1	112.2	H143 V144 E480	H143-R147 VanDerWaalsContact O-CB 3.31Å; H143-R147 WeakPolarHBondContact O-CB 3.11Å; H143-R147 PolarHBondContact O-N 3.5Å; V144-R147 PolarHBondContact O-N 3.5Å; R147-E480 IonicContact NH1-OE1 2.73Å
148	E	86.6	Confident	88.1	Confident	54 Å²	54	38.3 Å²	38.3	25%	0.252	17%	0.171	S	C	.	.	I	π-helix	trans	-83.4	-32.8	-172.2	-69.3	-168.8	-167.5	0	0	113.5	V144 Y211 P214	V144-E148 HydrophobicContact CG1-CG 4.36Å; V144-E148 VanDerWaalsContact O-CB 3.28Å; V144-E148 WeakPolarHBondContact O-CB 3.48Å; V144-E148 WeakPolarHBondContact O-CG 3.42Å; V144-E148 PolarHBondContact O-N 2.82Å; E148-Y211 PolarHBondContact OE2-OH 2.81Å; E148-P214 HydrophobicContact CB-CB 4.49Å; E148-P214 HydrophobicContact CB-CG 3.99Å; E148-P214 WeakPolarHBondContact O-CB 3.36Å; E148-P214 WeakPolarHBondContact OE2-CD 3.43Å
149	S	89.9	Confident	88.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	17%	0.171	C	C	.	.	I	π-helix	trans	-119.5	-49.8	-172.5	-63.4	0	0	0	0	113.7	M145 K151 D152 I155	M145-S149 WeakPolarHBondContact O-CA 3.38Å; M145-S149 WeakPolarHBondContact O-CB 3.34Å; M145-S149 PolarHBondContact O-N 3.33Å; S149-K151 PolarHBondContact O-N 3.23Å; S149-D152 PolarHBondContact O-N 3.37Å; S149-I155 WeakPolarHBondContact O-CB 3.27Å; S149-I155 WeakPolarHBondContact O-CG2 3.15Å
150	F	91.1	Very high	89.4	Confident	1 Å²	1	39.4 Å²	39.4	0%	0.004	18%	0.178	C	C	.	.	I	π-helix	trans	-79.2	-18.4	-171.2	-56	-35.5	0	0	0	114.6	P109 V110 W112 F131 M145 E146 L159 F223	P109-F150 WeakPolarHBondContact CD-O 3.24Å; P109-F150 VanDerWaalsContact CG-O 3.3Å; P109-F150 WeakPolarHBondContact CG-O 3.45Å; V110-F150 HydrophobicContact CG2-CB 4.47Å; W112-F150 HydrophobicContact CH2-CE1 4.28Å; W112-F150 HydrophobicContact CH2-CZ 4.34Å; W112-F150 AromaticContact CZ2-CD1 3.95Å; W112-F150 HydrophobicContact CZ2-CD1 3.95Å; W112-F150 HydrophobicContact CZ2-CD2 4.11Å; W112-F150 HydrophobicContact CZ2-CE1 4.14Å; W112-F150 HydrophobicContact CZ2-CE2 4.3Å; W112-F150 AromaticContact CZ2-CG 3.95Å; W112-F150 HydrophobicContact CZ2-CG 3.95Å; W112-F150 HydrophobicContact CZ2-CZ 4.31Å; F131-F150 AromaticContact CE1-CE1 3.94Å; F131-F150 HydrophobicContact CE1-CE1 3.94Å; F131-F150 HydrophobicContact CE1-CZ 4.3Å; F131-F150 HydrophobicContact CZ-CE1 4.16Å; F131-F150 HydrophobicContact CZ-CZ 4.29Å; M145-F150 HydrophobicContact CB-CE2 4.38Å; M145-F150 HydrophobicContact CE-CE1 3.71Å; M145-F150 HydrophobicContact CE-CZ 3.73Å; M145-F150 HydrophobicContact CG-CD2 4.26Å; M145-F150 HydrophobicContact CG-CE1 4.27Å; M145-F150 HydrophobicContact CG-CE2 3.57Å; M145-F150 HydrophobicContact CG-CZ 3.58Å; M145-F150 PolarHBondContact O-N 2.81Å; E146-F150 HydrophobicContact CB-CD2 4.44Å; E146-F150 PolarHBondContact O-N 3.04Å; E146-F150 VanDerWaalsContact O-N 3.12Å; F150-L159 HydrophobicContact CD1-CD1 4.26Å; F150-L159 HydrophobicContact CE1-CD1 4.4Å; F150-F223 HydrophobicContact CD1-CE1 4.46Å; F150-F223 AromaticContact CE1-CE1 3.97Å; F150-F223 HydrophobicContact CE1-CE1 3.97Å; F150-F223 HydrophobicContact CE1-CZ 4.14Å
151	K	89.8	Confident	90.1	Very high	114 Å²	114	42.9 Å²	42.9	50%	0.496	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-11.8	170.8	-80.9	176.9	165.4	140.9	0	113.9	E146 S149 E153	E146-K151 PolarHBondContact O-N 3.31Å; E146-K151 WeakPolarHBondContact OE1-CD 3.41Å; E146-K151 WeakPolarHBondContact OE1-CE 3.29Å; E146-K151 IonicContact OE1-NZ 2.61Å; E146-K151 PolarHBondContact OE1-NZ 3.44Å; E146-K151 IonicContact OE2-NZ 3.11Å; E146-K151 PolarHBondContact OE2-NZ 2.91Å; S149-K151 PolarHBondContact O-N 3.23Å; K151-E153 PolarHBondContact O-N 2.84Å
152	D	92.9	Very high	90.8	Very high	59 Å²	59	41.8 Å²	41.8	32%	0.316	20%	0.197	S	C	.	.			trans	-73.7	125.5	177.2	-177.8	-77.1	0	0	0	110.3	S149 E154 I155 G156	S149-D152 PolarHBondContact O-N 3.37Å; D152-E154 VanDerWaalsContact C-N 3.32Å; D152-E154 PolarHBondContact O-N 3.42Å; D152-E154 WeakPolarHBondContact OD1-CA 3.45Å; D152-E154 VanDerWaalsContact OD1-CB 3.32Å; D152-E154 WeakPolarHBondContact OD1-CB 3.36Å; D152-E154 PolarHBondContact OD1-N 2.92Å; D152-I155 HydrophobicContact CB-CB 4.17Å; D152-I155 HydrophobicContact CB-CD1 4.12Å; D152-I155 HydrophobicContact CB-CG1 4.28Å; D152-I155 PolarHBondContact O-N 3.23Å; D152-I155 PolarHBondContact OD1-N 3.46Å; D152-G156 PolarHBondContact O-N 2.84Å
153	E	94.1	Very high	91.4	Very high	83 Å²	83	42 Å²	42	39%	0.388	20%	0.197	S	C	.	.	H	α-helix	trans	-66	-32.2	-175.9	-69	-81.1	-169.5	0	0	112.8	K89 H90 K151 K157	K89-E153 WeakPolarHBondContact CE-OE1 3.49Å; K89-E153 IonicContact NZ-OE1 3.22Å; K89-E153 PolarHBondContact NZ-OE1 3.28Å; K89-E153 IonicContact NZ-OE2 3.74Å; H90-E153 IonicContact CD2-OE1 3.59Å; H90-E153 IonicContact CE1-OE2 2.72Å; H90-E153 IonicContact NE2-OE1 2.66Å; H90-E153 PolarHBondContact NE2-OE1 3.06Å; H90-E153 IonicContact NE2-OE2 3.74Å; H90-E153 PolarHBondContact NE2-OE2 3.48Å; K151-E153 PolarHBondContact O-N 2.84Å; E153-K157 VanDerWaalsContact O-CB 3.29Å; E153-K157 WeakPolarHBondContact O-CB 3.42Å; E153-K157 PolarHBondContact O-N 3.25Å
154	E	94.4	Very high	92.4	Very high	106 Å²	106	40.9 Å²	40.9	50%	0.495	19%	0.192	S	C	.	.	H	α-helix	trans	-72.5	-48.9	178.8	-175.6	-179.8	-148.8	0	0	110.2	D152 G156 K157 I158 K224	D152-E154 VanDerWaalsContact C-N 3.32Å; D152-E154 PolarHBondContact O-N 3.42Å; D152-E154 WeakPolarHBondContact OD1-CA 3.45Å; D152-E154 VanDerWaalsContact OD1-CB 3.32Å; D152-E154 WeakPolarHBondContact OD1-CB 3.36Å; D152-E154 PolarHBondContact OD1-N 2.92Å; E154-G156 VanDerWaalsContact C-N 3.32Å; E154-G156 PolarHBondContact O-N 3.37Å; E154-K157 PolarHBondContact O-N 2.79Å; E154-I158 HydrophobicContact CG-CD1 4.19Å; E154-I158 VanDerWaalsContact O-CG1 3.32Å; E154-I158 WeakPolarHBondContact O-CG1 3.25Å; E154-I158 PolarHBondContact O-N 3.17Å; E154-K224 WeakPolarHBondContact OE1-CE 3.49Å; E154-K224 IonicContact OE1-NZ 2.76Å; E154-K224 PolarHBondContact OE1-NZ 3.44Å; E154-K224 IonicContact OE2-NZ 3.98Å; E154-K224 PolarHBondContact OE2-NZ 2.97Å
155	I	94.3	Very high	93.3	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-43.8	175.8	-66.5	173.6	0	0	0	110.2	S149 D152 K157 I158 L159 P214 F223 L227	S149-I155 WeakPolarHBondContact O-CB 3.27Å; S149-I155 WeakPolarHBondContact O-CG2 3.15Å; D152-I155 HydrophobicContact CB-CB 4.17Å; D152-I155 HydrophobicContact CB-CD1 4.12Å; D152-I155 HydrophobicContact CB-CG1 4.28Å; D152-I155 PolarHBondContact O-N 3.23Å; D152-I155 PolarHBondContact OD1-N 3.46Å; I155-K157 VanDerWaalsContact C-N 3.31Å; I155-K157 PolarHBondContact O-N 3.16Å; I155-I158 PolarHBondContact O-N 3.49Å; I155-L159 HydrophobicContact CG2-CD1 4.1Å; I155-L159 HydrophobicContact CG2-CG 4.49Å; I155-L159 WeakPolarHBondContact O-CB 3.48Å; I155-L159 PolarHBondContact O-N 3.39Å; I155-P214 HydrophobicContact CD1-CB 4.21Å; I155-F223 HydrophobicContact CD1-CD1 4.44Å; I155-F223 HydrophobicContact CG2-CD1 3.71Å; I155-F223 HydrophobicContact CG2-CE1 3.71Å; I155-L227 HydrophobicContact CG2-CD1 4.26Å
156	G	94.6	Very high	93.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.3	-41.6	177.5	0	0	0	0	0	113	D152 E154 S160	D152-G156 PolarHBondContact O-N 2.84Å; E154-G156 VanDerWaalsContact C-N 3.32Å; E154-G156 PolarHBondContact O-N 3.37Å; G156-S160 WeakPolarHBondContact O-CB 3.37Å; G156-S160 PolarHBondContact O-N 2.87Å; G156-S160 PolarHBondContact O-OG 2.64Å
157	K	95	Very high	94.4	Very high	125 Å²	125	40.2 Å²	40.2	54%	0.543	19%	0.189	S	C	.	.	H	α-helix	trans	-66.3	-46.7	174	-178.5	168.6	177.4	51	0	112.4	E153 E154 I155 L159 S160 D161	E153-K157 VanDerWaalsContact O-CB 3.29Å; E153-K157 WeakPolarHBondContact O-CB 3.42Å; E153-K157 PolarHBondContact O-N 3.25Å; E154-K157 PolarHBondContact O-N 2.79Å; I155-K157 VanDerWaalsContact C-N 3.31Å; I155-K157 PolarHBondContact O-N 3.16Å; K157-L159 VanDerWaalsContact C-N 3.28Å; K157-L159 PolarHBondContact O-N 2.95Å; K157-S160 PolarHBondContact O-N 3.39Å; K157-D161 WeakPolarHBondContact CE-OD2 3.48Å; K157-D161 WeakPolarHBondContact CG-OD2 3.48Å; K157-D161 IonicContact NZ-OD1 3.7Å; K157-D161 IonicContact NZ-OD2 3.65Å; K157-D161 PolarHBondContact NZ-OD2 3.36Å; K157-D161 VanDerWaalsContact O-CB 3.32Å; K157-D161 WeakPolarHBondContact O-CB 3.43Å; K157-D161 VanDerWaalsContact O-CG 3.3Å; K157-D161 PolarHBondContact O-N 3.42Å
158	I	96.3	Very high	94.9	Very high	21 Å²	21	35.2 Å²	35.2	11%	0.108	17%	0.171	C	C	.	.	H	α-helix	trans	-57.5	-45.5	178	-68.7	165.9	0	0	0	110.2	E154 I155 N162 K224 L227 M228 I231	E154-I158 HydrophobicContact CG-CD1 4.19Å; E154-I158 VanDerWaalsContact O-CG1 3.32Å; E154-I158 WeakPolarHBondContact O-CG1 3.25Å; E154-I158 PolarHBondContact O-N 3.17Å; I155-I158 PolarHBondContact O-N 3.49Å; I158-N162 WeakPolarHBondContact O-CB 3.16Å; I158-N162 PolarHBondContact O-N 3.17Å; I158-N162 PolarHBondContact O-ND2 2.95Å; I158-K224 HydrophobicContact CD1-CD 4.45Å; I158-K224 HydrophobicContact CD1-CG 3.99Å; I158-L227 HydrophobicContact CG2-CB 3.97Å; I158-L227 HydrophobicContact CG2-CD1 3.97Å; I158-M228 HydrophobicContact CG2-SD 4.5Å; I158-I231 HydrophobicContact CG2-CD1 3.95Å
159	L	96.7	Very high	95.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-54.9	178	-82.5	175.9	0	0	0	111.9	V110 F131 F150 I155 K157 D161 N162 F163 F223 L227	V110-L159 HydrophobicContact CG1-CB 4.22Å; V110-L159 HydrophobicContact CG1-CD1 4.29Å; V110-L159 HydrophobicContact CG2-CB 4.43Å; V110-L159 HydrophobicContact CG2-CD1 3.77Å; F131-L159 HydrophobicContact CB-CD2 4.33Å; F131-L159 HydrophobicContact CD1-CD1 4.24Å; F131-L159 HydrophobicContact CD1-CD2 3.46Å; F131-L159 VanDerWaalsContact CD1-CD2 3.46Å; F131-L159 HydrophobicContact CD1-CG 4.49Å; F131-L159 HydrophobicContact CE1-CD1 4.04Å; F131-L159 HydrophobicContact CE1-CD2 3.88Å; F131-L159 HydrophobicContact CG-CD2 3.94Å; F150-L159 HydrophobicContact CD1-CD1 4.26Å; F150-L159 HydrophobicContact CE1-CD1 4.4Å; I155-L159 HydrophobicContact CG2-CD1 4.1Å; I155-L159 HydrophobicContact CG2-CG 4.49Å; I155-L159 WeakPolarHBondContact O-CB 3.48Å; I155-L159 PolarHBondContact O-N 3.39Å; K157-L159 VanDerWaalsContact C-N 3.28Å; K157-L159 PolarHBondContact O-N 2.95Å; L159-D161 PolarHBondContact O-N 3.48Å; L159-N162 PolarHBondContact O-N 3.22Å; L159-F163 HydrophobicContact CD2-CD2 4.08Å; L159-F163 WeakPolarHBondContact O-CB 3.3Å; L159-F163 PolarHBondContact O-N 3.39Å; L159-F223 HydrophobicContact CD1-CE1 4.04Å; L159-F223 HydrophobicContact CD1-CZ 4.36Å; L159-F223 HydrophobicContact CD2-CZ 4.44Å; L159-L227 HydrophobicContact CD2-CD1 4.07Å; L159-L227 HydrophobicContact CD2-CD2 3.6Å; L159-L227 HydrophobicContact CG-CD1 4.02Å; L159-L227 HydrophobicContact CG-CD2 4.45Å
160	S	96.3	Very high	95.6	Very high	28 Å²	28	33.9 Å²	33.9	20%	0.196	16%	0.164	C	C	.	.	H	α-helix	trans	-67.6	-33.7	-173.4	-52.4	0	0	0	0	113.5	V110 D111 G156 K157	V110-S160 WeakPolarHBondContact CA-OG 3.36Å; D111-S160 PolarHBondContact N-OG 2.93Å; G156-S160 WeakPolarHBondContact O-CB 3.37Å; G156-S160 PolarHBondContact O-N 2.87Å; G156-S160 PolarHBondContact O-OG 2.64Å; K157-S160 PolarHBondContact O-N 3.39Å
161	D	96.4	Very high	95.8	Very high	78 Å²	78	33.9 Å²	33.9	42%	0.417	16%	0.164	S	C	.	.	H	α-helix	trans	-73.4	-33.8	-179.7	-72.6	-10.3	0	0	0	111.7	K128 K157 L159	K128-D161 WeakPolarHBondContact CE-O 3.25Å; K128-D161 PolarHBondContact NZ-O 3.45Å; K128-D161 VanDerWaalsContact NZ-O 3.1Å; K157-D161 WeakPolarHBondContact CE-OD2 3.48Å; K157-D161 WeakPolarHBondContact CG-OD2 3.48Å; K157-D161 IonicContact NZ-OD1 3.7Å; K157-D161 IonicContact NZ-OD2 3.65Å; K157-D161 PolarHBondContact NZ-OD2 3.36Å; K157-D161 VanDerWaalsContact O-CB 3.32Å; K157-D161 WeakPolarHBondContact O-CB 3.43Å; K157-D161 VanDerWaalsContact O-CG 3.3Å; K157-D161 PolarHBondContact O-N 3.42Å; L159-D161 PolarHBondContact O-N 3.48Å
162	N	97.7	Very high	96	Very high	53 Å²	53	29 Å²	29	28%	0.283	14%	0.142	S	C	.	.	H	α-helix	trans	-111.6	-17.6	-166.6	-60.9	-82.1	0	0	0	114.9	I158 L159 I231	I158-N162 WeakPolarHBondContact O-CB 3.16Å; I158-N162 PolarHBondContact O-N 3.17Å; I158-N162 PolarHBondContact O-ND2 2.95Å; L159-N162 PolarHBondContact O-N 3.22Å; N162-I231 HydrophobicContact CB-CD1 3.76Å; N162-I231 HydrophobicContact CB-CG1 3.89Å
163	F	98.1	Very high	96	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.026	13%	0.134	C	C	.	.	S	Bend	trans	-131.1	153.5	-176.1	-55.7	-90.1	0	0	0	111.2	P129 F131 L159 W198 L227 I230 I231	P129-F163 HydrophobicContact CB-CD1 4.17Å; P129-F163 HydrophobicContact CB-CE1 4.43Å; P129-F163 HydrophobicContact CG-CD1 3.61Å; P129-F163 HydrophobicContact CG-CE1 3.76Å; P129-F163 WeakPolarHBondContact O-CA 3.5Å; F131-F163 HydrophobicContact CB-CB 3.98Å; F131-F163 HydrophobicContact CB-CD1 4.35Å; F131-F163 HydrophobicContact CB-CG 4.22Å; L159-F163 HydrophobicContact CD2-CD2 4.08Å; L159-F163 WeakPolarHBondContact O-CB 3.3Å; L159-F163 PolarHBondContact O-N 3.39Å; F163-W198 AromaticContact CD1-CD1 3.67Å; F163-W198 AromaticContact CD1-NE1 3.94Å; F163-W198 AromaticContact CE1-CD1 3.33Å; F163-W198 AromaticContact CE1-NE1 3.51Å; F163-W198 AromaticContact CZ-NE1 3.82Å; F163-L227 HydrophobicContact CE2-CD2 3.83Å; F163-L227 HydrophobicContact CZ-CD2 4.12Å; F163-I230 HydrophobicContact CE1-CG2 3.83Å; F163-I230 HydrophobicContact CZ-CB 4.42Å; F163-I230 HydrophobicContact CZ-CG2 4.03Å; F163-I231 HydrophobicContact CE2-CD1 3.99Å; F163-I231 HydrophobicContact CE2-CG1 3.82Å; F163-I231 HydrophobicContact CZ-CD1 4.33Å; F163-I231 HydrophobicContact CZ-CG1 3.69Å
164	V	98.4	Very high	96	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	109.7	158.3	179	0	0	0	0	107.9	Y113 A119 K122 A123 K128 P129 I130 F131	Y113-V164 HydrophobicContact CD2-CG1 4.32Å; A119-V164 HydrophobicContact CB-CG1 4.09Å; K122-V164 HydrophobicContact CB-CG2 4.44Å; K122-V164 HydrophobicContact CD-CG2 4.34Å; K122-V164 HydrophobicContact CG-CG2 3.92Å; A123-V164 HydrophobicContact CB-CB 4.13Å; A123-V164 HydrophobicContact CB-CG2 3.87Å; K128-V164 HydrophobicContact CB-CG2 4.35Å; P129-V164 PolarHBondContact O-N 3.05Å; I130-V164 CarbonylContact C-O 3.57Å; I130-V164 VanDerWaalsContact CA-O 3.3Å; I130-V164 WeakPolarHBondContact CA-O 3.4Å; I130-V164 HydrophobicContact CG1-CB 4.28Å; F131-V164 PolarHBondContact N-O 3.17Å
165	C	98.4	Very high	95.9	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118.5	-173	-63.2	0	0	0	0	110.4	V110 W112 Y113 F131	V110-C165 HydrophobicContact CG1-CB 3.63Å; W112-C165 HydrophobicContact CD2-CB 4.34Å; W112-C165 HydrophobicContact CE3-CB 3.58Å; W112-C165 HydrophobicContact CZ3-CB 3.69Å; Y113-C165 PolarHBondContact N-O 3.25Å; F131-C165 CarbonylContact O-C 3.55Å; F131-C165 WeakPolarHBondContact O-CA 3.5Å
166	I	98.3	Very high	95.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.3	178.6	-58.6	-179.3	0	0	0	109.7	W112 Y113 W115 A119 F120 I130 F131 L132 S133	W112-I166 WeakPolarHBondContact CZ3-O 3.45Å; Y113-I166 WeakPolarHBondContact O-CA 3.44Å; W115-I166 HydrophobicContact CB-CG2 4.04Å; W115-I166 HydrophobicContact CE3-CD1 4.38Å; W115-I166 HydrophobicContact CE3-CG2 4.05Å; A119-I166 HydrophobicContact CB-CD1 3.56Å; A119-I166 HydrophobicContact CB-CG1 3.78Å; F120-I166 HydrophobicContact CD1-CD1 4.04Å; F120-I166 HydrophobicContact CE1-CD1 3.73Å; I130-I166 HydrophobicContact CD1-CD1 4.47Å; I130-I166 HydrophobicContact CG2-CB 4.44Å; I130-I166 HydrophobicContact CG2-CD1 3.64Å; I130-I166 HydrophobicContact CG2-CG1 3.94Å; F131-I166 PolarHBondContact O-N 2.93Å; L132-I166 HydrophobicContact CD1-CB 4.04Å; L132-I166 HydrophobicContact CD1-CG2 3.82Å; S133-I166 PolarHBondContact N-O 3.22Å
167	K	97.6	Very high	95.8	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.5	171.3	-161.3	78.5	-158.7	-172.4	0	109	L94 Y101 L102 H105 W112 Y113 S133	L94-K167 HydrophobicContact CD1-CB 3.67Å; L94-K167 HydrophobicContact CD1-CG 4.03Å; L94-K167 HydrophobicContact CD2-CB 4.35Å; Y101-K167 VanDerWaalsContact CE1-CE 3.45Å; Y101-K167 HydrophobicContact CE1-CG 4.29Å; Y101-K167 WeakPolarHBondContact OH-CE 3.4Å; Y101-K167 PolarHBondContact OH-NZ 3.01Å; L102-K167 HydrophobicContact CD2-CB 3.97Å; L102-K167 HydrophobicContact CD2-CG 3.78Å; L102-K167 WeakPolarHBondContact CD2-O 3.45Å; H105-K167 WeakPolarHBondContact CD2-CE 3.34Å; H105-K167 PolarHBondContact CE1-NZ 3.46Å; H105-K167 WeakPolarHBondContact NE2-CE 3.45Å; H105-K167 PolarHBondContact NE2-NZ 3.28Å; W112-K167 HydrophobicContact CD2-CB 4.08Å; W112-K167 HydrophobicContact CD2-CD 4.28Å; W112-K167 HydrophobicContact CE3-CB 3.85Å; W112-K167 HydrophobicContact CE3-CD 4.29Å; W112-K167 HydrophobicContact CG-CB 4.4Å; W112-K167 HydrophobicContact CH2-CD 4.15Å; W112-K167 HydrophobicContact CZ2-CD 4.14Å; W112-K167 HydrophobicContact CZ3-CB 4.38Å; W112-K167 HydrophobicContact CZ3-CD 4.23Å; Y113-K167 PolarHBondContact O-N 3.47Å; S133-K167 PolarHBondContact OG-NZ 3.41Å
168	L	96.8	Very high	95.6	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.021	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.5	-176.6	-172.2	92	0	0	0	110.8	Y101 W115 L132 S133 V134 G135 R173 V176	Y101-L168 VanDerWaalsContact CE1-O 3.28Å; Y101-L168 WeakPolarHBondContact CE1-O 3.3Å; W115-L168 HydrophobicContact CB-CD1 3.29Å; W115-L168 HydrophobicContact CD2-CD1 4Å; W115-L168 HydrophobicContact CE3-CD1 4.27Å; W115-L168 HydrophobicContact CG-CD1 3.61Å; L132-L168 HydrophobicContact CD1-CB 4.01Å; S133-L168 PolarHBondContact O-N 3.33Å; V134-L168 WeakPolarHBondContact CA-O 2.97Å; V134-L168 HydrophobicContact CB-CB 4.49Å; V134-L168 HydrophobicContact CB-CD2 4.33Å; V134-L168 HydrophobicContact CG1-CB 4.43Å; V134-L168 HydrophobicContact CG1-CD2 3.78Å; V134-L168 HydrophobicContact CG2-CB 4.06Å; V134-L168 HydrophobicContact CG2-CD2 3.74Å; G135-L168 PolarHBondContact N-O 3.05Å; G135-L168 VanDerWaalsContact N-O 3.16Å; L168-R173 HydrophobicContact CD1-CB 3.71Å; L168-R173 HydrophobicContact CD1-CG 3.94Å; L168-R173 HydrophobicContact CD2-CB 4.23Å; L168-R173 HydrophobicContact CG-CB 4.12Å; L168-V176 HydrophobicContact CD1-CB 4.36Å; L168-V176 HydrophobicContact CD1-CG1 4.18Å; L168-V176 HydrophobicContact CD2-CB 3.83Å; L168-V176 HydrophobicContact CD2-CG1 3.62Å
169	D	96.1	Very high	95.3	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.011	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	116.4	164.4	-172.1	-16.7	0	0	0	109.5	S99 Y101 L102 G135 E171 E172 R173 K533	S99-D169 PolarHBondContact OG-OD2 3.07Å; Y101-D169 HydrophobicContact CD1-CB 3.96Å; L102-D169 HydrophobicContact CD2-CB 4.48Å; L102-D169 HydrophobicContact CG-CB 4.33Å; G135-D169 WeakPolarHBondContact O-CA 3.13Å; D169-E171 PolarHBondContact O-N 3.13Å; D169-E171 WeakPolarHBondContact OD1-CB 3.43Å; D169-E171 PolarHBondContact OD1-N 3.21Å; D169-E172 HydrophobicContact CB-CB 4.27Å; D169-E172 HydrophobicContact CB-CG 4.21Å; D169-E172 PolarHBondContact O-N 3.03Å; D169-R173 PolarHBondContact O-N 3.39Å; D169-K533 IonicContact OD1-NZ 3.94Å; D169-K533 WeakPolarHBondContact OD2-CE 3.39Å; D169-K533 IonicContact OD2-NZ 2.86Å; D169-K533 PolarHBondContact OD2-NZ 3.1Å
170	R	94.6	Very high	95.2	Very high	23 Å²	23	14.6 Å²	14.6	9%	0.087	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.9	179.1	68.6	168.9	-66.5	-98.8	-1.9	112.9	V134 G135 Y136 R173 P174 D177 W193 E671	V134-R170 HydrophobicContact CG1-CB 3.86Å; G135-R170 PolarHBondContact O-N 3.04Å; Y136-R170 HydrophobicContact CD1-CG 3.93Å; Y136-R170 HydrophobicContact CG-CG 4.36Å; R170-R173 CarbonylContact O-C 3.57Å; R170-P174 VanDerWaalsContact O-CA 3.32Å; R170-P174 WeakPolarHBondContact O-CA 3.42Å; R170-P174 WeakPolarHBondContact O-CD 3.27Å; R170-D177 HydrophobicContact CB-CB 3.84Å; R170-D177 IonicContact CZ-OD2 3.94Å; R170-D177 IonicContact NE-OD2 2.97Å; R170-D177 PolarHBondContact NE-OD2 2.99Å; R170-D177 VanDerWaalsContact NE-OD2 3.13Å; R170-D177 IonicContact NH2-OD2 2.81Å; R170-W193 VanDerWaalsContact CD-CE2 3.46Å; R170-E671 IonicContact NH2-OE1 3.97Å
171	E	94.3	Very high	95	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.009	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-32.6	-178.1	-65.2	178.8	-178.6	0	0	111.1	D169 S410 K533 L535 W538 R583	D169-E171 PolarHBondContact O-N 3.13Å; D169-E171 WeakPolarHBondContact OD1-CB 3.43Å; D169-E171 PolarHBondContact OD1-N 3.21Å; E171-S410 PolarHBondContact OE2-OG 3.2Å; E171-K533 HydrophobicContact CB-CD 4.01Å; E171-K533 IonicContact OE2-NZ 2.92Å; E171-K533 PolarHBondContact OE2-NZ 3.09Å; E171-L535 HydrophobicContact CB-CD1 4.04Å; E171-L535 HydrophobicContact CB-CD2 4.43Å; E171-L535 HydrophobicContact CG-CD1 4.41Å; E171-L535 WeakPolarHBondContact O-CD2 3.3Å; E171-W538 HydrophobicContact CG-CH2 3.94Å; E171-W538 HydrophobicContact CG-CZ2 4.24Å; E171-W538 VanDerWaalsContact OE1-CH2 3.25Å; E171-W538 WeakPolarHBondContact OE1-CH2 3.09Å; E171-R583 PolarHBondContact O-NE 3.47Å; E171-R583 PolarHBondContact O-NH2 3.06Å
172	E	94.3	Very high	94.7	Very high	10 Å²	10	11.8 Å²	11.8	5%	0.047	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-36.6	172.1	-69.9	-168.1	126.9	0	0	112.4	S99 D169 P174 K533 Y586 I600	S99-E172 WeakPolarHBondContact CB-OE2 3.26Å; D169-E172 HydrophobicContact CB-CB 4.27Å; D169-E172 HydrophobicContact CB-CG 4.21Å; D169-E172 PolarHBondContact O-N 3.03Å; E172-P174 VanDerWaalsContact C-CD 3.44Å; E172-P174 WeakPolarHBondContact O-CD 3.09Å; E172-K533 HydrophobicContact CG-CD 4.39Å; E172-Y586 VanDerWaalsContact CG-OH 3.29Å; E172-Y586 WeakPolarHBondContact CG-OH 3.4Å; E172-Y586 PolarHBondContact OE1-OH 3.45Å; E172-I600 HydrophobicContact CB-CD1 3.83Å; E172-I600 HydrophobicContact CG-CD1 4.41Å
173	R	94.1	Very high	94.4	Very high	37 Å²	37	9.4 Å²	9.4	14%	0.14	5%	0.045	C	C	.	.			trans	-128	63.2	-174.6	-64.9	-59.6	-58.1	-104.2	6.4	112.8	W115 L168 D169 R170 D175 V176 D177 D656	W115-R173 VanDerWaalsContact CD1-NH1 3.28Å; L168-R173 HydrophobicContact CD1-CB 3.71Å; L168-R173 HydrophobicContact CD1-CG 3.94Å; L168-R173 HydrophobicContact CD2-CB 4.23Å; L168-R173 HydrophobicContact CG-CB 4.12Å; D169-R173 PolarHBondContact O-N 3.39Å; R170-R173 CarbonylContact O-C 3.57Å; R173-D175 VanDerWaalsContact CA-OD1 3.29Å; R173-D175 WeakPolarHBondContact CA-OD1 3.2Å; R173-D175 IonicContact CZ-OD1 2.91Å; R173-D175 IonicContact CZ-OD2 3.51Å; R173-D175 IonicContact NE-OD1 3.92Å; R173-D175 PolarHBondContact NE-OD1 2.99Å; R173-D175 IonicContact NE-OD2 2.66Å; R173-D175 PolarHBondContact NE-OD2 2.95Å; R173-D175 IonicContact NH2-OD1 3.75Å; R173-D175 IonicContact NH2-OD2 3.6Å; R173-D175 PolarHBondContact NH2-OD2 2.69Å; R173-D175 PolarHBondContact O-N 3.2Å; R173-V176 HydrophobicContact CB-CB 4.23Å; R173-V176 HydrophobicContact CB-CG2 4.17Å; R173-V176 PolarHBondContact O-N 3.25Å; R173-D177 PolarHBondContact O-N 3.16Å; R173-D177 VanDerWaalsContact O-N 3.12Å; R173-D656 IonicContact CZ-OD2 3.4Å; R173-D656 IonicContact NH1-OD2 2.84Å; R173-D656 IonicContact NH2-OD2 3.15Å; R173-D656 PolarHBondContact NH2-OD2 3.42Å
174	P	93.3	Very high	94.1	Very high	6 Å²	6	9.1 Å²	9.1	4%	0.039	4%	0.043	C	C	.	.	H	α-helix	trans	-64.1	-26.4	177.5	28.7	-38	0	0	0	112.4	R170 E172 K178 F603	R170-P174 VanDerWaalsContact O-CA 3.32Å; R170-P174 WeakPolarHBondContact O-CA 3.42Å; R170-P174 WeakPolarHBondContact O-CD 3.27Å; E172-P174 VanDerWaalsContact C-CD 3.44Å; E172-P174 WeakPolarHBondContact O-CD 3.09Å; P174-K178 WeakPolarHBondContact O-CB 3.09Å; P174-K178 WeakPolarHBondContact O-CG 3.2Å; P174-K178 PolarHBondContact O-N 3.23Å; P174-F603 HydrophobicContact CG-CD2 3.54Å; P174-F603 HydrophobicContact CG-CE2 3.81Å; P174-F603 HydrophobicContact CG-CG 4.08Å
175	D	92.1	Very high	93.7	Very high	8 Å²	8	13.2 Å²	13.2	4%	0.043	6%	0.062	C	C	.	.	H	α-helix	trans	-59.9	-44.1	174.3	61.6	-35.5	0	0	0	112.6	R173 V179 F603 V659	R173-D175 VanDerWaalsContact CA-OD1 3.29Å; R173-D175 WeakPolarHBondContact CA-OD1 3.2Å; R173-D175 IonicContact CZ-OD1 2.91Å; R173-D175 IonicContact CZ-OD2 3.51Å; R173-D175 IonicContact NE-OD1 3.92Å; R173-D175 PolarHBondContact NE-OD1 2.99Å; R173-D175 IonicContact NE-OD2 2.66Å; R173-D175 PolarHBondContact NE-OD2 2.95Å; R173-D175 IonicContact NH2-OD1 3.75Å; R173-D175 IonicContact NH2-OD2 3.6Å; R173-D175 PolarHBondContact NH2-OD2 2.69Å; R173-D175 PolarHBondContact O-N 3.2Å; D175-V179 WeakPolarHBondContact O-CG2 3.3Å; D175-F603 HydrophobicContact CB-CD1 3.94Å; D175-F603 HydrophobicContact CB-CE1 3.48Å; D175-F603 VanDerWaalsContact CB-CE1 3.48Å; D175-F603 HydrophobicContact CB-CZ 4.11Å; D175-F603 WeakPolarHBondContact OD1-CZ 3.28Å; D175-V659 HydrophobicContact CB-CG2 4.49Å; D175-V659 VanDerWaalsContact OD2-CG2 3.29Å; D175-V659 WeakPolarHBondContact OD2-CG2 3.43Å
176	V	93.8	Very high	93.2	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.012	9%	0.089	C	C	.	.	H	α-helix	trans	-74.4	-45.4	178.3	179.6	0	0	0	0	110.3	W115 L132 L168 R173 K178 V179 Y180 V659	W115-V176 HydrophobicContact CD2-CG1 4.05Å; W115-V176 HydrophobicContact CD2-CG2 4.26Å; W115-V176 HydrophobicContact CE3-CG1 3.99Å; W115-V176 HydrophobicContact CH2-CG1 3.84Å; W115-V176 HydrophobicContact CZ2-CG1 3.85Å; W115-V176 HydrophobicContact CZ2-CG2 3.9Å; W115-V176 HydrophobicContact CZ3-CG1 3.91Å; L132-V176 HydrophobicContact CD2-CG1 4.46Å; L168-V176 HydrophobicContact CD1-CB 4.36Å; L168-V176 HydrophobicContact CD1-CG1 4.18Å; L168-V176 HydrophobicContact CD2-CB 3.83Å; L168-V176 HydrophobicContact CD2-CG1 3.62Å; R173-V176 HydrophobicContact CB-CB 4.23Å; R173-V176 HydrophobicContact CB-CG2 4.17Å; R173-V176 PolarHBondContact O-N 3.25Å; V176-K178 PolarHBondContact O-N 3.39Å; V176-V179 PolarHBondContact O-N 2.93Å; V176-Y180 HydrophobicContact CG1-CD2 3.73Å; V176-Y180 HydrophobicContact CG1-CE2 3.65Å; V176-Y180 VanDerWaalsContact O-CD2 3.23Å; V176-Y180 WeakPolarHBondContact O-CD2 3.31Å; V176-Y180 PolarHBondContact O-N 3.33Å; V176-V659 HydrophobicContact CG2-CG2 4.43Å
177	D	93.7	Very high	92.7	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-55.1	-49.3	177.8	178.6	55.2	0	0	0	111.7	V134 R170 R173 V179 Y180 M181 W193	V134-D177 HydrophobicContact CG1-CB 4.23Å; V134-D177 WeakPolarHBondContact CG1-OD1 3.46Å; R170-D177 HydrophobicContact CB-CB 3.84Å; R170-D177 IonicContact CZ-OD2 3.94Å; R170-D177 IonicContact NE-OD2 2.97Å; R170-D177 PolarHBondContact NE-OD2 2.99Å; R170-D177 VanDerWaalsContact NE-OD2 3.13Å; R170-D177 IonicContact NH2-OD2 2.81Å; R173-D177 PolarHBondContact O-N 3.16Å; R173-D177 VanDerWaalsContact O-N 3.12Å; D177-V179 PolarHBondContact O-N 2.95Å; D177-Y180 PolarHBondContact O-N 2.65Å; D177-M181 WeakPolarHBondContact O-CB 3.48Å; D177-M181 PolarHBondContact O-N 3.48Å; D177-W193 PolarHBondContact OD1-NE1 3.44Å; D177-W193 WeakPolarHBondContact OD2-CZ2 3.47Å
178	K	90.5	Very high	92.1	Very high	35 Å²	35	23 Å²	23	15%	0.152	13%	0.133	C	C	.	.	H	α-helix	trans	-58.1	-47	-179.1	-74.6	174.5	-171.5	-169.2	0	112.1	P174 V176 Y180 M181 T182 L663 E665	P174-K178 WeakPolarHBondContact O-CB 3.09Å; P174-K178 WeakPolarHBondContact O-CG 3.2Å; P174-K178 PolarHBondContact O-N 3.23Å; V176-K178 PolarHBondContact O-N 3.39Å; K178-Y180 PolarHBondContact O-N 3.34Å; K178-M181 PolarHBondContact O-N 3.41Å; K178-T182 PolarHBondContact O-N 2.66Å; K178-T182 PolarHBondContact O-OG1 3.33Å; K178-L663 HydrophobicContact CB-CD1 4.04Å; K178-E665 WeakPolarHBondContact CE-OE1 3.47Å; K178-E665 IonicContact NZ-OE1 3.63Å; K178-E665 PolarHBondContact NZ-OE1 3.25Å; K178-E665 IonicContact NZ-OE2 3.25Å; K178-E665 PolarHBondContact NZ-OE2 2.95Å
179	V	90.9	Very high	91.4	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.024	17%	0.169	C	C	.	.	H	α-helix	trans	-58.7	-48.5	-179.7	173.2	0	0	0	0	111.6	D175 V176 D177 F183 V659 L661 L663	D175-V179 WeakPolarHBondContact O-CG2 3.3Å; V176-V179 PolarHBondContact O-N 2.93Å; D177-V179 PolarHBondContact O-N 2.95Å; V179-F183 PolarHBondContact O-N 3.3Å; V179-V659 HydrophobicContact CG2-CG1 4.12Å; V179-L661 HydrophobicContact CG1-CB 4.24Å; V179-L661 HydrophobicContact CG2-CB 4.14Å; V179-L661 WeakPolarHBondContact CG2-O 3.06Å; V179-L663 HydrophobicContact CG2-CD1 4.02Å; V179-L663 HydrophobicContact CG2-CG 4.42Å
180	Y	93.9	Very high	90.6	Very high	3 Å²	3	28 Å²	28	1%	0.012	19%	0.186	C	C	.	.	H	α-helix	trans	-79.3	-28.4	-176.1	-66.3	-60.2	0	0	0	112.9	W115 L132 V176 D177 K178 F183 V184 M195 V197 L199 L203 P205	W115-Y180 AromaticContact CH2-CE2 3.76Å; W115-Y180 HydrophobicContact CH2-CE2 3.76Å; W115-Y180 HydrophobicContact CZ3-CE2 4.07Å; L132-Y180 HydrophobicContact CD2-CD2 3.32Å; L132-Y180 HydrophobicContact CD2-CE2 3.53Å; L132-Y180 HydrophobicContact CD2-CG 3.93Å; V176-Y180 HydrophobicContact CG1-CD2 3.73Å; V176-Y180 HydrophobicContact CG1-CE2 3.65Å; V176-Y180 VanDerWaalsContact O-CD2 3.23Å; V176-Y180 WeakPolarHBondContact O-CD2 3.31Å; V176-Y180 PolarHBondContact O-N 3.33Å; D177-Y180 PolarHBondContact O-N 2.65Å; K178-Y180 PolarHBondContact O-N 3.34Å; Y180-F183 WeakPolarHBondContact O-CB 3.36Å; Y180-F183 PolarHBondContact O-N 3.3Å; Y180-V184 WeakPolarHBondContact O-CG2 3.47Å; Y180-V184 PolarHBondContact O-N 3.45Å; Y180-M195 VanDerWaalsContact C-SD 3.59Å; Y180-V197 HydrophobicContact CD1-CG1 4.25Å; Y180-L199 HydrophobicContact CD1-CD2 3.84Å; Y180-L199 HydrophobicContact CE1-CD1 4.06Å; Y180-L199 HydrophobicContact CE1-CD2 3.32Å; Y180-L199 HydrophobicContact CE1-CG 4.34Å; Y180-L199 HydrophobicContact CE2-CD1 4.3Å; Y180-L199 WeakPolarHBondContact OH-CD1 3.39Å; Y180-L203 PolarHBondContact OH-O 3.23Å; Y180-P205 HydrophobicContact CD1-CB 4.04Å; Y180-P205 HydrophobicContact CD1-CG 4.18Å; Y180-P205 HydrophobicContact CE1-CB 4.06Å; Y180-P205 HydrophobicContact CE1-CG 4.08Å
181	M	92.4	Very high	90.3	Very high	13 Å²	13	29 Å²	29	6%	0.064	20%	0.202	C	C	.	.	H	α-helix	trans	-65.4	-43.6	170.9	-174.9	59	68.3	0	0	110.9	D177 K178 F183 V184 Q185 W193 M195	D177-M181 WeakPolarHBondContact O-CB 3.48Å; D177-M181 PolarHBondContact O-N 3.48Å; K178-M181 PolarHBondContact O-N 3.41Å; M181-F183 VanDerWaalsContact C-N 3.26Å; M181-F183 PolarHBondContact O-N 3Å; M181-V184 PolarHBondContact O-N 3.13Å; M181-V184 VanDerWaalsContact O-N 3.14Å; M181-Q185 HydrophobicContact CG-CG 4.35Å; M181-Q185 WeakPolarHBondContact O-CB 3.37Å; M181-Q185 WeakPolarHBondContact O-CG 3.45Å; M181-Q185 PolarHBondContact O-N 3.17Å; M181-Q185 HydrophobicContact SD-CG 4.27Å; M181-W193 HydrophobicContact CE-CD2 4.09Å; M181-W193 HydrophobicContact CE-CG 4.49Å; M181-W193 HydrophobicContact CE-CH2 4.36Å; M181-W193 HydrophobicContact CE-CZ2 3.66Å; M181-M195 VanDerWaalsContact CA-SD 3.59Å; M181-M195 HydrophobicContact CB-SD 4.13Å; M181-M195 HydrophobicContact CE-CB 4.38Å; M181-M195 HydrophobicContact CE-SD 3.83Å; M181-M195 HydrophobicContact SD-SD 4.25Å
182	T	89.8	Confident	89.9	Confident	34 Å²	34	29.9 Å²	29.9	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-58.6	-40.4	173.8	-55.4	0	0	0	0	111	K178 A186 L252 T256	K178-T182 PolarHBondContact O-N 2.66Å; K178-T182 PolarHBondContact O-OG1 3.33Å; T182-A186 VanDerWaalsContact O-CB 3.25Å; T182-A186 WeakPolarHBondContact O-CB 3.46Å; T182-A186 PolarHBondContact O-N 2.95Å; T182-L252 HydrophobicContact CG2-CD2 3.95Å; T182-T256 HydrophobicContact CG2-CG2 3.91Å
183	F	91.9	Very high	89.7	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-47.7	173.7	164.1	-97.5	0	0	0	112.6	V179 Y180 M181 A186 T187 V197 P205 I248 L252	V179-F183 PolarHBondContact O-N 3.3Å; Y180-F183 WeakPolarHBondContact O-CB 3.36Å; Y180-F183 PolarHBondContact O-N 3.3Å; M181-F183 VanDerWaalsContact C-N 3.26Å; M181-F183 PolarHBondContact O-N 3Å; F183-A186 PolarHBondContact O-N 3.49Å; F183-T187 HydrophobicContact CD2-CG2 4.04Å; F183-T187 HydrophobicContact CE2-CG2 3.68Å; F183-T187 HydrophobicContact CZ-CG2 4.08Å; F183-T187 WeakPolarHBondContact O-CB 3.37Å; F183-T187 WeakPolarHBondContact O-CG2 3.07Å; F183-T187 PolarHBondContact O-N 3.41Å; F183-T187 PolarHBondContact O-OG1 2.89Å; F183-V197 HydrophobicContact CD1-CG1 3.93Å; F183-V197 HydrophobicContact CE1-CG1 3.86Å; F183-P205 HydrophobicContact CB-CG 4.2Å; F183-P205 HydrophobicContact CD1-CB 3.73Å; F183-P205 HydrophobicContact CD1-CG 4.27Å; F183-P205 HydrophobicContact CD2-CB 3.8Å; F183-P205 HydrophobicContact CD2-CG 3.61Å; F183-P205 HydrophobicContact CE1-CB 3.8Å; F183-P205 HydrophobicContact CE2-CB 3.84Å; F183-P205 HydrophobicContact CE2-CG 4.02Å; F183-P205 HydrophobicContact CG-CB 3.74Å; F183-P205 HydrophobicContact CG-CG 3.74Å; F183-P205 HydrophobicContact CZ-CB 3.87Å; F183-I248 HydrophobicContact CD2-CG2 3.52Å; F183-I248 HydrophobicContact CE2-CD1 3.98Å; F183-I248 HydrophobicContact CE2-CG2 3.74Å; F183-L252 HydrophobicContact CB-CD1 3.89Å; F183-L252 HydrophobicContact CD2-CD1 4.4Å
184	V	91.8	Very high	89.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.5	-43.1	179.9	171.5	0	0	0	0	110.9	Y180 M181 T187 S188 M195 V197 T210	Y180-V184 WeakPolarHBondContact O-CG2 3.47Å; Y180-V184 PolarHBondContact O-N 3.45Å; M181-V184 PolarHBondContact O-N 3.13Å; M181-V184 VanDerWaalsContact O-N 3.14Å; V184-T187 PolarHBondContact O-N 2.9Å; V184-T187 PolarHBondContact O-OG1 2.82Å; V184-S188 WeakPolarHBondContact O-CB 3.34Å; V184-S188 PolarHBondContact O-N 3.29Å; V184-S188 PolarHBondContact O-OG 3.22Å; V184-M195 HydrophobicContact CB-SD 4.43Å; V184-M195 HydrophobicContact CG2-CG 4.04Å; V184-M195 HydrophobicContact CG2-SD 3.87Å; V184-V197 HydrophobicContact CG2-CG2 3.93Å; V184-T210 HydrophobicContact CG1-CG2 4.49Å
185	Q	89.7	Confident	89.7	Confident	87 Å²	87	30.1 Å²	30.1	41%	0.407	21%	0.212	S	C	.	.	H	α-helix	trans	-62.5	-44.1	177.2	-71.8	173.5	-20.2	0	0	111.9	M181 T187 G189 G190	M181-Q185 HydrophobicContact CG-CG 4.35Å; M181-Q185 WeakPolarHBondContact O-CB 3.37Å; M181-Q185 WeakPolarHBondContact O-CG 3.45Å; M181-Q185 PolarHBondContact O-N 3.17Å; M181-Q185 HydrophobicContact SD-CG 4.27Å; Q185-T187 VanDerWaalsContact C-N 3.32Å; Q185-T187 PolarHBondContact O-N 2.83Å; Q185-G189 WeakPolarHBondContact O-CA 3.39Å; Q185-G189 PolarHBondContact O-N 3.07Å; Q185-G190 WeakPolarHBondContact CA-O 3.38Å
186	A	87.6	Confident	89.9	Confident	68 Å²	68	29.8 Å²	29.8	56%	0.562	21%	0.21	S	C	*	.	H	α-helix	trans	-66.7	-31.5	179.2	0	0	0	0	0	113.3	T182 F183 L252	T182-A186 VanDerWaalsContact O-CB 3.25Å; T182-A186 WeakPolarHBondContact O-CB 3.46Å; T182-A186 PolarHBondContact O-N 2.95Å; F183-A186 PolarHBondContact O-N 3.49Å; A186-L252 HydrophobicContact CB-CD2 3.77Å
187	T	87.3	Confident	90	Very high	71 Å²	71	29.7 Å²	29.7	44%	0.436	21%	0.209	S	C	.	.	H	α-helix	trans	-94.3	-29.4	-175.8	52.7	0	0	0	0	113.9	F183 V184 Q185	F183-T187 HydrophobicContact CD2-CG2 4.04Å; F183-T187 HydrophobicContact CE2-CG2 3.68Å; F183-T187 HydrophobicContact CZ-CG2 4.08Å; F183-T187 WeakPolarHBondContact O-CB 3.37Å; F183-T187 WeakPolarHBondContact O-CG2 3.07Å; F183-T187 PolarHBondContact O-N 3.41Å; F183-T187 PolarHBondContact O-OG1 2.89Å; V184-T187 PolarHBondContact O-N 2.9Å; V184-T187 PolarHBondContact O-OG1 2.82Å; Q185-T187 VanDerWaalsContact C-N 3.32Å; Q185-T187 PolarHBondContact O-N 2.83Å
188	S	84.9	Confident	90.1	Very high	70 Å²	70	29.5 Å²	29.5	49%	0.49	21%	0.209	S	C	.	.	H	α-helix	trans	-111.2	-14.1	-175.4	74.4	0	0	0	0	114.6	V184 G190	V184-S188 WeakPolarHBondContact O-CB 3.34Å; V184-S188 PolarHBondContact O-N 3.29Å; V184-S188 PolarHBondContact O-OG 3.22Å; S188-G190 PolarHBondContact O-N 3.19Å; S188-G190 PolarHBondContact OG-N 2.73Å; S188-G190 PolarHBondContact OG-O 3.03Å
189	G	81.4	Confident	90.4	Very high	76 Å²	76	27.9 Å²	27.9	78%	0.784	20%	0.201	S	C	*	.	S	Bend	trans	78	-1.1	-175.3	0	0	0	0	0	114.6	Q185	Q185-G189 WeakPolarHBondContact O-CA 3.39Å; Q185-G189 PolarHBondContact O-N 3.07Å
190	G	80.9	Confident	90.6	Very high	35 Å²	35	27.7 Å²	27.7	36%	0.361	20%	0.201	S	C	.	.			trans	-142.3	172.9	176.9	0	0	0	0	0	111.7	Q185 S188	Q185-G190 WeakPolarHBondContact CA-O 3.38Å; S188-G190 PolarHBondContact O-N 3.19Å; S188-G190 PolarHBondContact OG-N 2.73Å; S188-G190 PolarHBondContact OG-O 3.03Å
191	G	86.8	Confident	90.6	Very high	42 Å²	42	27.8 Å²	27.8	43%	0.433	20%	0.202	S	C	.	.			trans	-156	171.4	179.1	0	0	0	0	0	111.2
192	G	87.3	Confident	90.6	Very high	21 Å²	21	31.5 Å²	31.5	22%	0.216	22%	0.222	C	C	.	.			trans	148.7	168.9	-179.4	0	0	0	0	0	112.2	T210	G192-T210 WeakPolarHBondContact O-CG2 3.02Å
193	W	90.6	Very high	90.8	Very high	58 Å²	58	30.5 Å²	30.5	22%	0.22	22%	0.215	C	C	.	.	S	Bend	trans	-104.6	147.1	177.7	-59.1	-83.7	0	0	0	110.4	Y136 R170 D177 M181	Y136-W193 HydrophobicContact CD1-CG 4.48Å; Y136-W193 HydrophobicContact CE1-CB 3.99Å; Y136-W193 HydrophobicContact CE1-CD2 4.21Å; Y136-W193 HydrophobicContact CE1-CE3 4.19Å; Y136-W193 HydrophobicContact CE1-CG 4.13Å; R170-W193 VanDerWaalsContact CD-CE2 3.46Å; D177-W193 PolarHBondContact OD1-NE1 3.44Å; D177-W193 WeakPolarHBondContact OD2-CZ2 3.47Å; M181-W193 HydrophobicContact CE-CD2 4.09Å; M181-W193 HydrophobicContact CE-CG 4.49Å; M181-W193 HydrophobicContact CE-CH2 4.36Å; M181-W193 HydrophobicContact CE-CZ2 3.66Å
194	P	92	Very high	90.9	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	23%	0.229	C	C	.	.	S	Bend	cis	-69.7	141.4	0.6	29.4	-34.5	0	0	0	111.6	M145 T210 Y211	M145-P194 HydrophobicContact CB-CB 4.48Å; M145-P194 HydrophobicContact CB-CG 3.84Å; M145-P194 HydrophobicContact CG-CG 4.24Å; P194-T210 CarbonylContact O-C 3.59Å; P194-T210 WeakPolarHBondContact O-CA 3.45Å; P194-Y211 HydrophobicContact CG-CD2 4.44Å
195	M	94.8	Very high	91	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.7	177.7	177	173.8	65.2	0	0	109.6	S133 V134 Y180 M181 V184 V197	S133-M195 CarbonylContact C-O 3.58Å; S133-M195 WeakPolarHBondContact CA-O 3.28Å; V134-M195 HydrophobicContact CB-CB 4.22Å; V134-M195 HydrophobicContact CB-CE 3.76Å; V134-M195 HydrophobicContact CG1-CE 4.2Å; V134-M195 HydrophobicContact CG2-CE 3.53Å; V134-M195 PolarHBondContact N-O 3.06Å; V134-M195 PolarHBondContact O-N 3.09Å; Y180-M195 VanDerWaalsContact C-SD 3.59Å; M181-M195 VanDerWaalsContact CA-SD 3.59Å; M181-M195 HydrophobicContact CB-SD 4.13Å; M181-M195 HydrophobicContact CE-CB 4.38Å; M181-M195 HydrophobicContact CE-SD 3.83Å; M181-M195 HydrophobicContact SD-SD 4.25Å; V184-M195 HydrophobicContact CB-SD 4.43Å; V184-M195 HydrophobicContact CG2-CG 4.04Å; V184-M195 HydrophobicContact CG2-SD 3.87Å; M195-V197 HydrophobicContact CG-CG2 3.65Å; M195-V197 HydrophobicContact SD-CG2 4.04Å
196	S	95.2	Very high	91.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	111	-176.1	-67.7	0	0	0	0	109.4	G208 G209 T210	S196-G208 CarbonylContact O-C 3.36Å; S196-G208 VanDerWaalsContact O-CA 3.22Å; S196-G208 WeakPolarHBondContact O-CA 3.49Å; S196-G209 PolarHBondContact N-O 3.35Å; S196-G209 PolarHBondContact O-N 3.28Å; S196-T210 PolarHBondContact OG-O 3.38Å
197	V	96.3	Very high	91.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.1	-174.2	-166.4	0	0	0	0	110.5	L132 Y180 F183 V184 M195 L199 P205 I207	L132-V197 HydrophobicContact CB-CB 4.49Å; L132-V197 PolarHBondContact N-O 3.18Å; L132-V197 PolarHBondContact O-N 2.69Å; Y180-V197 HydrophobicContact CD1-CG1 4.25Å; F183-V197 HydrophobicContact CD1-CG1 3.93Å; F183-V197 HydrophobicContact CE1-CG1 3.86Å; V184-V197 HydrophobicContact CG2-CG2 3.93Å; M195-V197 HydrophobicContact CG-CG2 3.65Å; M195-V197 HydrophobicContact SD-CG2 4.04Å; V197-L199 HydrophobicContact CB-CD2 4.33Å; V197-L199 HydrophobicContact CG1-CD2 3.59Å; V197-P205 HydrophobicContact CG1-CB 3.89Å; V197-I207 WeakPolarHBondContact CG1-O 3.4Å
198	W	96.6	Very high	91.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.4	174.9	-68.9	-96.3	0	0	0	110.3	I130 F131 F163 F206 I207 F212 F223 V226 L227 I230	I130-W198 CarbonylContact O-C 3.38Å; I130-W198 VanDerWaalsContact O-CA 3.31Å; I130-W198 WeakPolarHBondContact O-CA 3.31Å; F131-W198 HydrophobicContact CD2-CD2 4.05Å; F131-W198 AromaticContact CD2-CE2 3.52Å; F131-W198 HydrophobicContact CD2-CG 4.46Å; F131-W198 HydrophobicContact CD2-CH2 4.41Å; F131-W198 AromaticContact CD2-CZ2 3.74Å; F131-W198 HydrophobicContact CD2-CZ2 3.74Å; F131-W198 AromaticContact CD2-NE1 3.59Å; F131-W198 AromaticContact CE2-CE2 3.93Å; F131-W198 AromaticContact CE2-CH2 4Å; F131-W198 HydrophobicContact CE2-CH2 4Å; F131-W198 AromaticContact CE2-CZ2 3.65Å; F131-W198 HydrophobicContact CE2-CZ2 3.65Å; F163-W198 AromaticContact CD1-CD1 3.67Å; F163-W198 AromaticContact CD1-NE1 3.94Å; F163-W198 AromaticContact CE1-CD1 3.33Å; F163-W198 AromaticContact CE1-NE1 3.51Å; F163-W198 AromaticContact CZ-NE1 3.82Å; W198-F206 HydrophobicContact CB-CE1 4.14Å; W198-F206 HydrophobicContact CB-CE2 3.88Å; W198-F206 HydrophobicContact CB-CZ 3.64Å; W198-F206 WeakPolarHBondContact O-CD1 3.08Å; W198-F206 PolarHBondContact O-N 3.07Å; W198-I207 HydrophobicContact CB-CB 4.49Å; W198-I207 HydrophobicContact CE3-CB 4.33Å; W198-I207 HydrophobicContact CE3-CG2 3.84Å; W198-I207 HydrophobicContact CZ3-CG2 4.23Å; W198-I207 PolarHBondContact N-O 3.49Å; W198-F212 HydrophobicContact CH2-CD2 4.48Å; W198-F212 HydrophobicContact CH2-CE2 4.07Å; W198-F212 HydrophobicContact CZ3-CE2 4.1Å; W198-F223 AromaticContact CH2-CE2 3.89Å; W198-F223 HydrophobicContact CH2-CE2 3.89Å; W198-F223 AromaticContact CZ2-CE2 3.83Å; W198-F223 HydrophobicContact CZ2-CE2 3.83Å; W198-F223 HydrophobicContact CZ2-CZ 4.49Å; W198-V226 HydrophobicContact CH2-CG1 4.03Å; W198-V226 HydrophobicContact CZ2-CG1 4.42Å; W198-L227 HydrophobicContact CZ2-CD2 3.74Å; W198-I230 HydrophobicContact CD2-CD1 3.4Å; W198-I230 VanDerWaalsContact CE2-CD1 3.42Å; W198-I230 HydrophobicContact CE3-CD1 3.76Å; W198-I230 HydrophobicContact CG-CD1 3.82Å; W198-I230 HydrophobicContact CG-CG2 4.24Å; W198-I230 HydrophobicContact CH2-CD1 4.11Å; W198-I230 HydrophobicContact CZ2-CD1 3.79Å; W198-I230 HydrophobicContact CZ3-CD1 4.1Å
199	L	96.5	Very high	92	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	151	-174.6	-37.5	174.7	0	0	0	110.8	W115 P129 I130 L132 Y180 V197 R204 P205 F206	W115-L199 HydrophobicContact CZ3-CD1 4.36Å; P129-L199 WeakPolarHBondContact CA-O 3.4Å; I130-L199 HydrophobicContact CB-CB 4.09Å; I130-L199 HydrophobicContact CB-CD1 4.47Å; I130-L199 HydrophobicContact CB-CG 4.46Å; I130-L199 HydrophobicContact CG2-CD1 4.1Å; I130-L199 HydrophobicContact CG2-CG 4.41Å; I130-L199 PolarHBondContact N-O 3.27Å; I130-L199 PolarHBondContact O-N 3.17Å; L132-L199 HydrophobicContact CB-CD1 4.16Å; L132-L199 HydrophobicContact CB-CG 4.45Å; L132-L199 HydrophobicContact CD2-CD1 4.19Å; Y180-L199 HydrophobicContact CD1-CD2 3.84Å; Y180-L199 HydrophobicContact CE1-CD1 4.06Å; Y180-L199 HydrophobicContact CE1-CD2 3.32Å; Y180-L199 HydrophobicContact CE1-CG 4.34Å; Y180-L199 HydrophobicContact CE2-CD1 4.3Å; Y180-L199 WeakPolarHBondContact OH-CD1 3.39Å; V197-L199 HydrophobicContact CB-CD2 4.33Å; V197-L199 HydrophobicContact CG1-CD2 3.59Å; L199-R204 CarbonylContact C-O 3.39Å; L199-R204 VanDerWaalsContact CA-O 3.27Å; L199-R204 WeakPolarHBondContact CA-O 3.46Å; L199-P205 HydrophobicContact CD2-CB 3.68Å; L199-F206 VanDerWaalsContact C-CE1 3.41Å
200	T	95.1	Very high	92.4	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	15%	0.146	C	C	.	.			trans	-66	165.3	164.1	69.2	0	0	0	0	110.2	D202 L203 R204 F206 W234 E242	T200-D202 PolarHBondContact O-N 2.82Å; T200-D202 PolarHBondContact OG1-N 3.33Å; T200-L203 PolarHBondContact O-N 3.27Å; T200-R204 HydrophobicContact CG2-CB 4.31Å; T200-R204 PolarHBondContact N-O 3.48Å; T200-R204 WeakPolarHBondContact OG1-CB 3.45Å; T200-R204 PolarHBondContact OG1-N 3.47Å; T200-F206 HydrophobicContact CG2-CD1 3.97Å; T200-F206 HydrophobicContact CG2-CE1 4.39Å; T200-W234 HydrophobicContact CG2-CH2 4.48Å; T200-W234 HydrophobicContact CG2-CZ3 4.27Å; T200-E242 HydrophobicContact CG2-CG 4.02Å
201	P	94.4	Very high	92.8	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.032	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-22.5	171.5	-27.3	34.5	0	0	0	114.7	A123 K124 L203 W234	A123-P201 HydrophobicContact CB-CB 4.36Å; K124-P201 HydrophobicContact CG-CB 3.96Å; P201-L203 VanDerWaalsContact C-N 3.3Å; P201-W234 HydrophobicContact CG-CZ2 4.4Å
202	D	91.6	Very high	92.9	Very high	91 Å²	91	24.2 Å²	24.2	49%	0.487	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	21.5	175	-58.1	-47.9	0	0	0	113.2	T200 R204	T200-D202 PolarHBondContact O-N 2.82Å; T200-D202 PolarHBondContact OG1-N 3.33Å; D202-R204 PolarHBondContact O-N 2.87Å; D202-R204 VanDerWaalsContact O-N 3.15Å
203	L	94.1	Very high	92.9	Very high	12 Å²	12	23.8 Å²	23.8	6%	0.063	12%	0.119	C	C	.	.			trans	68.3	6.8	173.7	-48.3	179.2	0	0	0	115.8	W115 F120 I130 Y180 T200 P201 A658 L660	W115-L203 HydrophobicContact CH2-CD1 4.25Å; W115-L203 HydrophobicContact CH2-CD2 4.27Å; W115-L203 HydrophobicContact CZ2-CD1 4.3Å; F120-L203 HydrophobicContact CD1-CD2 3.56Å; F120-L203 HydrophobicContact CE1-CD1 4.44Å; F120-L203 HydrophobicContact CE1-CD2 3.72Å; F120-L203 HydrophobicContact CE2-CD1 4.4Å; F120-L203 HydrophobicContact CG-CD2 4.17Å; F120-L203 HydrophobicContact CZ-CD1 4.38Å; F120-L203 HydrophobicContact CZ-CD2 4.45Å; I130-L203 HydrophobicContact CD1-CD2 3.57Å; Y180-L203 PolarHBondContact OH-O 3.23Å; T200-L203 PolarHBondContact O-N 3.27Å; P201-L203 VanDerWaalsContact C-N 3.3Å; L203-A658 HydrophobicContact CD1-CB 3.95Å; L203-A658 WeakPolarHBondContact CD1-O 3.43Å; L203-L660 VanDerWaalsContact C-CD1 3.47Å; L203-L660 HydrophobicContact CB-CD1 4.1Å; L203-L660 HydrophobicContact CB-CD2 4.42Å; L203-L660 HydrophobicContact CB-CG 4.26Å; L203-L660 WeakPolarHBondContact O-CD1 3.46Å
204	R	93.7	Very high	92.6	Very high	81 Å²	81	22.3 Å²	22.3	31%	0.306	12%	0.117	S	C	.	.			trans	-77.1	123.5	-178.3	-58.4	177	-176.9	-168.9	-6.8	109.9	L199 T200 D202 E246 L660	L199-R204 CarbonylContact C-O 3.39Å; L199-R204 VanDerWaalsContact CA-O 3.27Å; L199-R204 WeakPolarHBondContact CA-O 3.46Å; T200-R204 HydrophobicContact CG2-CB 4.31Å; T200-R204 PolarHBondContact N-O 3.48Å; T200-R204 WeakPolarHBondContact OG1-CB 3.45Å; T200-R204 PolarHBondContact OG1-N 3.47Å; D202-R204 PolarHBondContact O-N 2.87Å; D202-R204 VanDerWaalsContact O-N 3.15Å; R204-E246 IonicContact CZ-OE1 2.83Å; R204-E246 IonicContact NH1-OE1 2.96Å; R204-E246 PolarHBondContact NH1-OE1 3.29Å; R204-E246 IonicContact NH1-OE2 2.72Å; R204-E246 IonicContact NH2-OE1 3.91Å; R204-L660 HydrophobicContact CB-CD1 4.48Å; R204-L660 HydrophobicContact CG-CD1 4.07Å
205	P	94.4	Very high	92.4	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	139.2	-179.5	32.1	-33.5	0	0	0	111	Y180 F183 V197 L199 G245 I249	Y180-P205 HydrophobicContact CD1-CB 4.04Å; Y180-P205 HydrophobicContact CD1-CG 4.18Å; Y180-P205 HydrophobicContact CE1-CB 4.06Å; Y180-P205 HydrophobicContact CE1-CG 4.08Å; F183-P205 HydrophobicContact CB-CG 4.2Å; F183-P205 HydrophobicContact CD1-CB 3.73Å; F183-P205 HydrophobicContact CD1-CG 4.27Å; F183-P205 HydrophobicContact CD2-CB 3.8Å; F183-P205 HydrophobicContact CD2-CG 3.61Å; F183-P205 HydrophobicContact CE1-CB 3.8Å; F183-P205 HydrophobicContact CE2-CB 3.84Å; F183-P205 HydrophobicContact CE2-CG 4.02Å; F183-P205 HydrophobicContact CG-CB 3.74Å; F183-P205 HydrophobicContact CG-CG 3.74Å; F183-P205 HydrophobicContact CZ-CB 3.87Å; V197-P205 HydrophobicContact CG1-CB 3.89Å; L199-P205 HydrophobicContact CD2-CB 3.68Å; P205-G245 VanDerWaalsContact O-CA 3.29Å; P205-G245 WeakPolarHBondContact O-CA 3.27Å; P205-I249 HydrophobicContact CG-CD1 3.96Å
206	F	93.5	Very high	92.1	Very high	13 Å²	13	36.1 Å²	36.1	6%	0.057	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	-25.9	175.9	61.5	-96.3	0	0	0	113.8	P129 W198 L199 T200 I230 W234 L241	P129-F206 HydrophobicContact CB-CE1 4.35Å; P129-F206 HydrophobicContact CB-CZ 4.21Å; W198-F206 HydrophobicContact CB-CE1 4.14Å; W198-F206 HydrophobicContact CB-CE2 3.88Å; W198-F206 HydrophobicContact CB-CZ 3.64Å; W198-F206 WeakPolarHBondContact O-CD1 3.08Å; W198-F206 PolarHBondContact O-N 3.07Å; L199-F206 VanDerWaalsContact C-CE1 3.41Å; T200-F206 HydrophobicContact CG2-CD1 3.97Å; T200-F206 HydrophobicContact CG2-CE1 4.39Å; F206-I230 HydrophobicContact CE2-CG2 4.1Å; F206-I230 HydrophobicContact CZ-CG2 4.34Å; F206-W234 HydrophobicContact CE1-CE3 4.35Å; F206-W234 HydrophobicContact CE1-CZ3 4.18Å; F206-W234 HydrophobicContact CZ-CE3 4.24Å; F206-L241 HydrophobicContact CD2-CB 4.42Å; F206-L241 HydrophobicContact CD2-CD1 4.23Å; F206-L241 HydrophobicContact CD2-CD2 3.94Å; F206-L241 HydrophobicContact CD2-CG 4.44Å; F206-L241 HydrophobicContact CE2-CD1 4.06Å; F206-L241 HydrophobicContact CE2-CD2 4.49Å; F206-L241 HydrophobicContact CG-CB 4.4Å
207	I	93.3	Very high	91.4	Very high	56 Å²	56	41.9 Å²	41.9	29%	0.287	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.5	173.2	-70.8	164.8	0	0	0	108.8	V197 W198 I230	V197-I207 WeakPolarHBondContact CG1-O 3.4Å; W198-I207 HydrophobicContact CB-CB 4.49Å; W198-I207 HydrophobicContact CE3-CB 4.33Å; W198-I207 HydrophobicContact CE3-CG2 3.84Å; W198-I207 HydrophobicContact CZ3-CG2 4.23Å; W198-I207 PolarHBondContact N-O 3.49Å; I207-I230 HydrophobicContact CD1-CD1 4.17Å; I207-I230 HydrophobicContact CD1-CG1 3.75Å; I207-I230 HydrophobicContact CG2-CD1 4.01Å
208	G	92.8	Very high	90.7	Very high	17 Å²	17	46 Å²	46	18%	0.175	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	165.4	172.4	0	0	0	0	0	113.6	S196	S196-G208 CarbonylContact O-C 3.36Å; S196-G208 VanDerWaalsContact O-CA 3.22Å; S196-G208 WeakPolarHBondContact O-CA 3.49Å
209	G	91.7	Very high	89.8	Confident	8 Å²	8	58.1 Å²	58.1	8%	0.082	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	-175	176	0	0	0	0	0	110.6	S196	S196-G209 PolarHBondContact N-O 3.35Å; S196-G209 PolarHBondContact O-N 3.28Å
210	T	89.2	Confident	89.1	Confident	52 Å²	52	67 Å²	67	32%	0.319	33%	0.325	S	S	.	.	S	Bend	trans	-95.7	-110.7	178.9	60.5	0	0	0	0	110.4	V184 G192 P194 S196	V184-T210 HydrophobicContact CG1-CG2 4.49Å; G192-T210 WeakPolarHBondContact O-CG2 3.02Å; P194-T210 CarbonylContact O-C 3.59Å; P194-T210 WeakPolarHBondContact O-CA 3.45Å; S196-T210 PolarHBondContact OG-O 3.38Å
211	Y	89	Confident	88.7	Confident	55 Å²	55	69.3 Å²	69.3	22%	0.216	34%	0.339	C	S	.	.			trans	-82.9	133.4	177.6	179.6	-107.4	0	0	0	111.8	W141 V144 M145 E148 P194 P213	W141-Y211 HydrophobicContact CE3-CD1 4.44Å; W141-Y211 HydrophobicContact CE3-CD2 4.49Å; W141-Y211 HydrophobicContact CE3-CG 4.3Å; W141-Y211 HydrophobicContact CZ3-CD1 4.23Å; W141-Y211 HydrophobicContact CZ3-CE1 4.33Å; V144-Y211 HydrophobicContact CG1-CE2 3.99Å; M145-Y211 HydrophobicContact CB-CD2 4.08Å; M145-Y211 HydrophobicContact CB-CE2 4.06Å; M145-Y211 HydrophobicContact CG-CD2 4.47Å; M145-Y211 HydrophobicContact SD-CD2 3.76Å; M145-Y211 HydrophobicContact SD-CE2 3.72Å; E148-Y211 PolarHBondContact OE2-OH 2.81Å; P194-Y211 HydrophobicContact CG-CD2 4.44Å; Y211-P213 HydrophobicContact CE1-CB 4.3Å
212	F	88.2	Confident	88.5	Confident	37 Å²	37	69 Å²	69	16%	0.162	34%	0.338	C	S	.	.			trans	-119.8	124.3	170.7	-64.9	-81.3	0	0	0	108.9	W198 F223 V226	W198-F212 HydrophobicContact CH2-CD2 4.48Å; W198-F212 HydrophobicContact CH2-CE2 4.07Å; W198-F212 HydrophobicContact CZ3-CE2 4.1Å; F212-F223 HydrophobicContact CB-CB 3.91Å; F212-F223 HydrophobicContact CB-CD2 3.76Å; F212-F223 HydrophobicContact CB-CG 4.21Å; F212-F223 HydrophobicContact CD2-CD2 4.14Å; F212-F223 HydrophobicContact CD2-CE2 4.45Å; F212-F223 HydrophobicContact CG-CD2 4.16Å; F212-V226 HydrophobicContact CD1-CG2 4Å; F212-V226 HydrophobicContact CE1-CG2 4.15Å
213	P	87.4	Confident	88.6	Confident	12 Å²	12	64.7 Å²	64.7	8%	0.078	32%	0.315	C	S	.	.			trans	-63.5	150.1	177.5	27.6	-33.6	0	0	0	109.9	Y211 R215 Q217 G222 F223	Y211-P213 HydrophobicContact CE1-CB 4.3Å; P213-R215 PolarHBondContact O-N 2.82Å; P213-R215 VanDerWaalsContact O-N 3.15Å; P213-Q217 HydrophobicContact CB-CG 4.35Å; P213-Q217 HydrophobicContact CG-CG 4.49Å; P213-G222 CarbonylContact O-C 3.34Å; P213-G222 WeakPolarHBondContact O-CA 3.3Å; P213-F223 PolarHBondContact O-N 3Å
214	P	85.9	Confident	88.6	Confident	26 Å²	26	67.7 Å²	67.7	17%	0.169	33%	0.327	C	S	.	.	S	Bend	trans	-61.8	-30.5	-175.4	25.8	-37.4	0	0	0	112.9	E148 I155	E148-P214 HydrophobicContact CB-CB 4.49Å; E148-P214 HydrophobicContact CB-CG 3.99Å; E148-P214 WeakPolarHBondContact O-CB 3.36Å; E148-P214 WeakPolarHBondContact OE2-CD 3.43Å; I155-P214 HydrophobicContact CD1-CB 4.21Å
215	R	87.3	Confident	88.6	Confident	197 Å²	197	65.6 Å²	65.6	74%	0.743	32%	0.324	S	S	*	.	S	Bend	trans	-126.6	158.4	-178.4	-60.2	-177.5	-176.9	168.1	2.5	110.8	P213 Q217 G222	P213-R215 PolarHBondContact O-N 2.82Å; P213-R215 VanDerWaalsContact O-N 3.15Å; R215-Q217 PolarHBondContact O-N 2.91Å; R215-G222 VanDerWaalsContact C-CA 3.45Å
216	D	88.8	Confident	88.6	Confident	95 Å²	95	66.3 Å²	66.3	51%	0.508	33%	0.328	S	S	.	.			trans	-58.1	127.4	176.7	-66.4	2	0	0	0	110.4	G222 T225	D216-G222 WeakPolarHBondContact OD1-CA 3.41Å; D216-G222 PolarHBondContact OD1-N 3.2Å; D216-T225 WeakPolarHBondContact OD1-CB 3.37Å; D216-T225 PolarHBondContact OD1-OG1 2.91Å; D216-T225 PolarHBondContact OD2-OG1 3.45Å
217	Q	80.6	Confident	88.7	Confident	121 Å²	121	65.7 Å²	65.7	57%	0.565	33%	0.325	S	S	*	.	B	Isolated β-bridge	trans	-122.7	102.8	177	-70.8	-173.9	7	0	0	109.6	P213 R215 R219 R220	P213-Q217 HydrophobicContact CB-CG 4.35Å; P213-Q217 HydrophobicContact CG-CG 4.49Å; R215-Q217 PolarHBondContact O-N 2.91Å; Q217-R219 PolarHBondContact O-N 3.4Å; Q217-R219 VanDerWaalsContact O-N 3.1Å; Q217-R220 PolarHBondContact N-O 2.99Å; Q217-R220 PolarHBondContact O-N 2.97Å
218	G	80.4	Confident	88.8	Confident	87 Å²	87	67.8 Å²	67.8	90%	0.897	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	-114.8	-177.4	0	0	0	0	0	111.6
219	R	77.6	Confident	88.9	Confident	254 Å²	254	74.1 Å²	74.1	96%	0.958	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.9	178.2	-65.4	-173.1	-179.4	-167.8	0.8	114	Q217	Q217-R219 PolarHBondContact O-N 3.4Å; Q217-R219 VanDerWaalsContact O-N 3.1Å
220	R	81.4	Confident	89	Confident	187 Å²	187	74 Å²	74	71%	0.706	35%	0.351	S	S	*	.	B	Isolated β-bridge	trans	-91.4	118.6	179.7	-67.7	-177.4	178	172.8	-0.9	109.2	Q217	Q217-R220 PolarHBondContact N-O 2.99Å; Q217-R220 PolarHBondContact O-N 2.97Å
221	P	87.1	Confident	89.4	Confident	48 Å²	48	72.4 Å²	72.4	31%	0.312	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-65.7	139	175.2	28.8	-33.5	0	0	0	109.6	T225 V226	P221-T225 HydrophobicContact CB-CG2 4.11Å; P221-V226 HydrophobicContact CB-CG2 4.14Å; P221-V226 HydrophobicContact CG-CG2 4.08Å
222	G	91.4	Very high	89.7	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-75.3	163.6	173.1	0	0	0	0	0	111.7	P213 R215 D216 K224 T225 V226	P213-G222 CarbonylContact O-C 3.34Å; P213-G222 WeakPolarHBondContact O-CA 3.3Å; R215-G222 VanDerWaalsContact C-CA 3.45Å; D216-G222 WeakPolarHBondContact OD1-CA 3.41Å; D216-G222 PolarHBondContact OD1-N 3.2Å; G222-K224 VanDerWaalsContact C-N 3.29Å; G222-K224 PolarHBondContact O-N 3.31Å; G222-T225 WeakPolarHBondContact O-CB 3.47Å; G222-T225 PolarHBondContact O-N 3.46Å; G222-V226 WeakPolarHBondContact O-CG2 3.39Å; G222-V226 PolarHBondContact O-N 3.11Å
223	F	93.8	Very high	90	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-58.5	-42	-175.1	-169.9	-131	0	0	0	111.6	F131 M145 F150 I155 L159 W198 F212 P213 T225 V226 L227	F131-F223 HydrophobicContact CE1-CZ 4.04Å; F131-F223 HydrophobicContact CE2-CE2 4.38Å; F131-F223 HydrophobicContact CE2-CZ 4.21Å; F131-F223 HydrophobicContact CZ-CE2 4.14Å; F131-F223 AromaticContact CZ-CZ 3.62Å; F131-F223 HydrophobicContact CZ-CZ 3.62Å; M145-F223 HydrophobicContact CE-CD1 3.82Å; M145-F223 HydrophobicContact CE-CD2 3.95Å; M145-F223 HydrophobicContact CE-CE1 3.76Å; M145-F223 HydrophobicContact CE-CE2 3.88Å; M145-F223 HydrophobicContact CE-CG 3.93Å; M145-F223 HydrophobicContact CE-CZ 3.8Å; F150-F223 HydrophobicContact CD1-CE1 4.46Å; F150-F223 AromaticContact CE1-CE1 3.97Å; F150-F223 HydrophobicContact CE1-CE1 3.97Å; F150-F223 HydrophobicContact CE1-CZ 4.14Å; I155-F223 HydrophobicContact CD1-CD1 4.44Å; I155-F223 HydrophobicContact CG2-CD1 3.71Å; I155-F223 HydrophobicContact CG2-CE1 3.71Å; L159-F223 HydrophobicContact CD1-CE1 4.04Å; L159-F223 HydrophobicContact CD1-CZ 4.36Å; L159-F223 HydrophobicContact CD2-CZ 4.44Å; W198-F223 AromaticContact CH2-CE2 3.89Å; W198-F223 HydrophobicContact CH2-CE2 3.89Å; W198-F223 AromaticContact CZ2-CE2 3.83Å; W198-F223 HydrophobicContact CZ2-CE2 3.83Å; W198-F223 HydrophobicContact CZ2-CZ 4.49Å; F212-F223 HydrophobicContact CB-CB 3.91Å; F212-F223 HydrophobicContact CB-CD2 3.76Å; F212-F223 HydrophobicContact CB-CG 4.21Å; F212-F223 HydrophobicContact CD2-CD2 4.14Å; F212-F223 HydrophobicContact CD2-CE2 4.45Å; F212-F223 HydrophobicContact CG-CD2 4.16Å; P213-F223 PolarHBondContact O-N 3Å; F223-T225 PolarHBondContact O-N 3.39Å; F223-V226 PolarHBondContact O-N 3.08Å; F223-L227 HydrophobicContact CD1-CD1 4.04Å; F223-L227 HydrophobicContact CD2-CG 4.48Å; F223-L227 HydrophobicContact CE1-CD1 3.87Å; F223-L227 HydrophobicContact CE1-CG 4.47Å; F223-L227 HydrophobicContact CE2-CD2 4.26Å; F223-L227 HydrophobicContact CE2-CG 4.32Å; F223-L227 HydrophobicContact CG-CD1 4.46Å; F223-L227 HydrophobicContact CZ-CD1 4.14Å; F223-L227 HydrophobicContact CZ-CD2 4.15Å; F223-L227 HydrophobicContact CZ-CG 4.3Å; F223-L227 VanDerWaalsContact O-CG 3.3Å; F223-L227 WeakPolarHBondContact O-CG 3.45Å; F223-L227 PolarHBondContact O-N 3.4Å
224	K	93.1	Very high	90.3	Very high	75 Å²	75	77 Å²	77	33%	0.326	36%	0.362	S	S	.	.	H	α-helix	trans	-56.5	-47.2	172.8	-175.8	178.8	-177	176.1	0	112.6	E154 I158 G222 V226 L227 M228	E154-K224 WeakPolarHBondContact OE1-CE 3.49Å; E154-K224 IonicContact OE1-NZ 2.76Å; E154-K224 PolarHBondContact OE1-NZ 3.44Å; E154-K224 IonicContact OE2-NZ 3.98Å; E154-K224 PolarHBondContact OE2-NZ 2.97Å; I158-K224 HydrophobicContact CD1-CD 4.45Å; I158-K224 HydrophobicContact CD1-CG 3.99Å; G222-K224 VanDerWaalsContact C-N 3.29Å; G222-K224 PolarHBondContact O-N 3.31Å; K224-V226 VanDerWaalsContact C-N 3.32Å; K224-V226 PolarHBondContact O-N 2.97Å; K224-L227 PolarHBondContact O-N 2.98Å; K224-M228 WeakPolarHBondContact O-CG 3.34Å; K224-M228 PolarHBondContact O-N 3.3Å
225	T	93.7	Very high	90.6	Very high	37 Å²	37	82.3 Å²	82.3	23%	0.227	39%	0.385	C	S	.	.	H	α-helix	trans	-63.5	-40.2	179.1	-60.1	0	0	0	0	111.3	D216 P221 G222 F223 R229	D216-T225 WeakPolarHBondContact OD1-CB 3.37Å; D216-T225 PolarHBondContact OD1-OG1 2.91Å; D216-T225 PolarHBondContact OD2-OG1 3.45Å; P221-T225 HydrophobicContact CB-CG2 4.11Å; G222-T225 WeakPolarHBondContact O-CB 3.47Å; G222-T225 PolarHBondContact O-N 3.46Å; F223-T225 PolarHBondContact O-N 3.39Å; T225-R229 WeakPolarHBondContact O-CG 3.36Å; T225-R229 PolarHBondContact O-N 3.41Å
226	V	93.9	Very high	91	Very high	16 Å²	16	78.1 Å²	78.1	10%	0.097	38%	0.377	C	S	.	.	H	α-helix	trans	-62	-50.1	174.7	173.5	0	0	0	0	110.7	W198 F212 P221 G222 F223 K224 M228 R229 I230	W198-V226 HydrophobicContact CH2-CG1 4.03Å; W198-V226 HydrophobicContact CZ2-CG1 4.42Å; F212-V226 HydrophobicContact CD1-CG2 4Å; F212-V226 HydrophobicContact CE1-CG2 4.15Å; P221-V226 HydrophobicContact CB-CG2 4.14Å; P221-V226 HydrophobicContact CG-CG2 4.08Å; G222-V226 WeakPolarHBondContact O-CG2 3.39Å; G222-V226 PolarHBondContact O-N 3.11Å; F223-V226 PolarHBondContact O-N 3.08Å; K224-V226 VanDerWaalsContact C-N 3.32Å; K224-V226 PolarHBondContact O-N 2.97Å; V226-M228 PolarHBondContact O-N 3.18Å; V226-R229 PolarHBondContact O-N 3.48Å; V226-I230 HydrophobicContact CG1-CD1 3.77Å; V226-I230 HydrophobicContact CG1-CG1 4.45Å; V226-I230 WeakPolarHBondContact O-CG1 3.19Å; V226-I230 PolarHBondContact O-N 2.85Å
227	L	95.9	Very high	91.2	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-57	-48.3	179.4	-70.1	172.8	0	0	0	112.1	I155 I158 L159 F163 W198 F223 K224 R229 I230 I231	I155-L227 HydrophobicContact CG2-CD1 4.26Å; I158-L227 HydrophobicContact CG2-CB 3.97Å; I158-L227 HydrophobicContact CG2-CD1 3.97Å; L159-L227 HydrophobicContact CD2-CD1 4.07Å; L159-L227 HydrophobicContact CD2-CD2 3.6Å; L159-L227 HydrophobicContact CG-CD1 4.02Å; L159-L227 HydrophobicContact CG-CD2 4.45Å; F163-L227 HydrophobicContact CE2-CD2 3.83Å; F163-L227 HydrophobicContact CZ-CD2 4.12Å; W198-L227 HydrophobicContact CZ2-CD2 3.74Å; F223-L227 HydrophobicContact CD1-CD1 4.04Å; F223-L227 HydrophobicContact CD2-CG 4.48Å; F223-L227 HydrophobicContact CE1-CD1 3.87Å; F223-L227 HydrophobicContact CE1-CG 4.47Å; F223-L227 HydrophobicContact CE2-CD2 4.26Å; F223-L227 HydrophobicContact CE2-CG 4.32Å; F223-L227 HydrophobicContact CG-CD1 4.46Å; F223-L227 HydrophobicContact CZ-CD1 4.14Å; F223-L227 HydrophobicContact CZ-CD2 4.15Å; F223-L227 HydrophobicContact CZ-CG 4.3Å; F223-L227 VanDerWaalsContact O-CG 3.3Å; F223-L227 WeakPolarHBondContact O-CG 3.45Å; F223-L227 PolarHBondContact O-N 3.4Å; K224-L227 PolarHBondContact O-N 2.98Å; L227-R229 VanDerWaalsContact C-N 3.32Å; L227-R229 PolarHBondContact O-N 2.73Å; L227-I230 PolarHBondContact O-N 2.88Å; L227-I230 VanDerWaalsContact O-N 3.16Å; L227-I231 VanDerWaalsContact O-CG1 3.28Å; L227-I231 WeakPolarHBondContact O-CG1 3.48Å; L227-I231 PolarHBondContact O-N 3.2Å
228	M	95.5	Very high	91.6	Very high	99 Å²	99	74.6 Å²	74.6	49%	0.488	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-40.1	-179.8	-67.8	-55.8	-61.4	0	0	112.4	I158 K224 V226 I231 E232	I158-M228 HydrophobicContact CG2-SD 4.5Å; K224-M228 WeakPolarHBondContact O-CG 3.34Å; K224-M228 PolarHBondContact O-N 3.3Å; V226-M228 PolarHBondContact O-N 3.18Å; M228-I231 PolarHBondContact O-N 3.38Å; M228-I231 HydrophobicContact SD-CD1 4.21Å; M228-E232 PolarHBondContact O-N 2.92Å
229	R	94.8	Very high	92.2	Very high	151 Å²	151	74 Å²	74	57%	0.57	34%	0.343	S	S	*	.	H	α-helix	trans	-64.6	-40.7	175.5	-73	177.2	-176.2	-174.2	3.4	111.8	T225 V226 L227 E232 Q233	T225-R229 WeakPolarHBondContact O-CG 3.36Å; T225-R229 PolarHBondContact O-N 3.41Å; V226-R229 PolarHBondContact O-N 3.48Å; L227-R229 VanDerWaalsContact C-N 3.32Å; L227-R229 PolarHBondContact O-N 2.73Å; R229-E232 PolarHBondContact O-N 3.42Å; R229-Q233 VanDerWaalsContact O-CG 3.27Å; R229-Q233 WeakPolarHBondContact O-CG 3.43Å; R229-Q233 PolarHBondContact O-N 2.91Å
230	I	95.2	Very high	92.8	Very high	5 Å²	5	66.5 Å²	66.5	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-65.4	-42.4	178.6	-66.9	174.2	0	0	0	110.7	F163 W198 F206 I207 V226 L227 E232 Q233 W234	F163-I230 HydrophobicContact CE1-CG2 3.83Å; F163-I230 HydrophobicContact CZ-CB 4.42Å; F163-I230 HydrophobicContact CZ-CG2 4.03Å; W198-I230 HydrophobicContact CD2-CD1 3.4Å; W198-I230 VanDerWaalsContact CE2-CD1 3.42Å; W198-I230 HydrophobicContact CE3-CD1 3.76Å; W198-I230 HydrophobicContact CG-CD1 3.82Å; W198-I230 HydrophobicContact CG-CG2 4.24Å; W198-I230 HydrophobicContact CH2-CD1 4.11Å; W198-I230 HydrophobicContact CZ2-CD1 3.79Å; W198-I230 HydrophobicContact CZ3-CD1 4.1Å; F206-I230 HydrophobicContact CE2-CG2 4.1Å; F206-I230 HydrophobicContact CZ-CG2 4.34Å; I207-I230 HydrophobicContact CD1-CD1 4.17Å; I207-I230 HydrophobicContact CD1-CG1 3.75Å; I207-I230 HydrophobicContact CG2-CD1 4.01Å; V226-I230 HydrophobicContact CG1-CD1 3.77Å; V226-I230 HydrophobicContact CG1-CG1 4.45Å; V226-I230 WeakPolarHBondContact O-CG1 3.19Å; V226-I230 PolarHBondContact O-N 2.85Å; L227-I230 PolarHBondContact O-N 2.88Å; L227-I230 VanDerWaalsContact O-N 3.16Å; I230-E232 PolarHBondContact O-N 2.04Å; I230-Q233 PolarHBondContact O-N 2.76Å; I230-W234 WeakPolarHBondContact O-CB 3.34Å; I230-W234 PolarHBondContact O-N 3.01Å
231	I	95.8	Very high	93.3	Very high	18 Å²	18	58.6 Å²	58.6	9%	0.092	30%	0.297	C	S	.	.	H	α-helix	trans	-58.8	-48.3	176	-66.6	162.5	0	0	0	110.5	I158 N162 F163 L227 M228 Q233 W234 Q235	I158-I231 HydrophobicContact CG2-CD1 3.95Å; N162-I231 HydrophobicContact CB-CD1 3.76Å; N162-I231 HydrophobicContact CB-CG1 3.89Å; F163-I231 HydrophobicContact CE2-CD1 3.99Å; F163-I231 HydrophobicContact CE2-CG1 3.82Å; F163-I231 HydrophobicContact CZ-CD1 4.33Å; F163-I231 HydrophobicContact CZ-CG1 3.69Å; L227-I231 VanDerWaalsContact O-CG1 3.28Å; L227-I231 WeakPolarHBondContact O-CG1 3.48Å; L227-I231 PolarHBondContact O-N 3.2Å; M228-I231 PolarHBondContact O-N 3.38Å; M228-I231 HydrophobicContact SD-CD1 4.21Å; I231-Q233 PolarHBondContact O-N 2.77Å; I231-W234 PolarHBondContact O-N 3.29Å; I231-Q235 WeakPolarHBondContact O-CG 3.32Å; I231-Q235 PolarHBondContact O-N 2.68Å
232	E	95.5	Very high	93.4	Very high	104 Å²	104	59.1 Å²	59.1	49%	0.486	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-44	177.7	-174.6	-175.3	-173.6	0	0	111.8	M228 R229 I230 Q235 N236	M228-E232 PolarHBondContact O-N 2.92Å; R229-E232 PolarHBondContact O-N 3.42Å; I230-E232 PolarHBondContact O-N 2.04Å; E232-Q235 PolarHBondContact O-N 3.49Å; E232-N236 WeakPolarHBondContact CG-ND2 3.35Å; E232-N236 WeakPolarHBondContact O-CB 3.33Å; E232-N236 PolarHBondContact O-N 3.04Å; E232-N236 PolarHBondContact O-ND2 3.25Å
233	Q	94.4	Very high	93.4	Very high	72 Å²	72	61.2 Å²	61.2	34%	0.336	31%	0.31	S	S	.	.	H	α-helix	trans	-66.3	-37.2	177.5	-69.1	-58.6	-50.8	0	0	112.4	R229 I230 I231 N237 L241	R229-Q233 VanDerWaalsContact O-CG 3.27Å; R229-Q233 WeakPolarHBondContact O-CG 3.43Å; R229-Q233 PolarHBondContact O-N 2.91Å; I230-Q233 PolarHBondContact O-N 2.76Å; I231-Q233 PolarHBondContact O-N 2.77Å; Q233-N237 CarbonylContact O-C 3.56Å; Q233-N237 WeakPolarHBondContact O-CA 3.45Å; Q233-N237 WeakPolarHBondContact O-CB 3.5Å; Q233-N237 PolarHBondContact O-N 3.1Å; Q233-N237 PolarHBondContact OE1-ND2 2.81Å; Q233-L241 HydrophobicContact CB-CD1 4.09Å
234	W	94	Very high	93.1	Very high	26 Å²	26	63.5 Å²	63.5	10%	0.098	33%	0.326	C	S	.	.	H	α-helix	trans	-64.6	-40.6	175.8	-173.8	-103.4	0	0	0	111.8	D127 P129 T200 P201 F206 I230 I231 R238 L241	D127-W234 PolarHBondContact O-NE1 3.4Å; P129-W234 HydrophobicContact CB-CD2 4.14Å; P129-W234 HydrophobicContact CB-CE3 4.19Å; P129-W234 HydrophobicContact CB-CZ3 4.47Å; P129-W234 HydrophobicContact CG-CD2 3.98Å; P129-W234 HydrophobicContact CG-CE3 4.48Å; P129-W234 HydrophobicContact CG-CG 3.99Å; T200-W234 HydrophobicContact CG2-CH2 4.48Å; T200-W234 HydrophobicContact CG2-CZ3 4.27Å; P201-W234 HydrophobicContact CG-CZ2 4.4Å; F206-W234 HydrophobicContact CE1-CE3 4.35Å; F206-W234 HydrophobicContact CE1-CZ3 4.18Å; F206-W234 HydrophobicContact CZ-CE3 4.24Å; I230-W234 WeakPolarHBondContact O-CB 3.34Å; I230-W234 PolarHBondContact O-N 3.01Å; I231-W234 PolarHBondContact O-N 3.29Å; W234-R238 HydrophobicContact CE3-CG 4.45Å; W234-R238 HydrophobicContact CH2-CG 4.16Å; W234-R238 HydrophobicContact CZ2-CG 4.34Å; W234-R238 HydrophobicContact CZ3-CG 4.23Å; W234-R238 WeakPolarHBondContact O-CB 3.17Å; W234-L241 HydrophobicContact CE3-CD1 3.96Å
235	Q	92.8	Very high	92.8	Very high	137 Å²	137	59.9 Å²	59.9	64%	0.64	31%	0.31	S	S	*	.	H	α-helix	trans	-72	-42	179.2	-70.3	175.2	-3.4	0	0	112.7	I231 E232	I231-Q235 WeakPolarHBondContact O-CG 3.32Å; I231-Q235 PolarHBondContact O-N 2.68Å; E232-Q235 PolarHBondContact O-N 3.49Å
236	N	94.8	Very high	92.5	Very high	108 Å²	108	62.2 Å²	62.2	58%	0.578	32%	0.319	S	S	*	.	H	α-helix	trans	-97.3	-27.9	-169.4	-64.5	-35.8	0	0	0	114	E232	E232-N236 WeakPolarHBondContact CG-ND2 3.35Å; E232-N236 WeakPolarHBondContact O-CB 3.33Å; E232-N236 PolarHBondContact O-N 3.04Å; E232-N236 PolarHBondContact O-ND2 3.25Å
237	N	92.7	Very high	92.3	Very high	70 Å²	70	68 Å²	68	37%	0.374	34%	0.342	S	S	.	.	H	α-helix	trans	-132.6	28.6	-168.4	-66.2	-35.4	0	0	0	113.6	Q233 A239 T240 L241	Q233-N237 CarbonylContact O-C 3.56Å; Q233-N237 WeakPolarHBondContact O-CA 3.45Å; Q233-N237 WeakPolarHBondContact O-CB 3.5Å; Q233-N237 PolarHBondContact O-N 3.1Å; Q233-N237 PolarHBondContact OE1-ND2 2.81Å; N237-A239 PolarHBondContact O-N 2.84Å; N237-T240 WeakPolarHBondContact O-CB 3.32Å; N237-T240 PolarHBondContact O-N 3.12Å; N237-L241 PolarHBondContact O-N 3.46Å
238	R	90.3	Very high	91.9	Very high	72 Å²	72	69.6 Å²	69.6	27%	0.272	35%	0.351	S	S	.	.	H	α-helix	trans	-49.7	-52.3	-174.8	-176.1	176.9	172.3	162.5	5.4	114.9	D127 W234 T240 L241 E242	D127-R238 IonicContact OD1-CZ 3.93Å; D127-R238 IonicContact OD1-NH1 3.47Å; D127-R238 PolarHBondContact OD1-NH1 3.45Å; D127-R238 IonicContact OD1-NH2 3.58Å; D127-R238 PolarHBondContact OD1-NH2 3.01Å; D127-R238 IonicContact OD2-CZ 3.08Å; D127-R238 IonicContact OD2-NH1 2.73Å; D127-R238 PolarHBondContact OD2-NH1 3.44Å; D127-R238 IonicContact OD2-NH2 3.05Å; W234-R238 HydrophobicContact CE3-CG 4.45Å; W234-R238 HydrophobicContact CH2-CG 4.16Å; W234-R238 HydrophobicContact CZ2-CG 4.34Å; W234-R238 HydrophobicContact CZ3-CG 4.23Å; W234-R238 WeakPolarHBondContact O-CB 3.17Å; R238-T240 PolarHBondContact O-N 3.47Å; R238-T240 VanDerWaalsContact O-N 3.14Å; R238-L241 WeakPolarHBondContact O-CA 3.12Å; R238-L241 WeakPolarHBondContact O-CB 3.34Å; R238-L241 PolarHBondContact O-N 3.43Å; R238-E242 HydrophobicContact CG-CG 4.27Å; R238-E242 IonicContact CZ-OE1 3.97Å; R238-E242 IonicContact NE-OE1 3.64Å; R238-E242 PolarHBondContact NE-OE1 3.37Å; R238-E242 IonicContact NE-OE2 3.7Å; R238-E242 IonicContact NH2-OE1 3.55Å; R238-E242 PolarHBondContact NH2-OE1 3.02Å; R238-E242 PolarHBondContact O-N 3.16Å
239	A	92.1	Very high	91.5	Very high	74 Å²	74	65.3 Å²	65.3	61%	0.612	33%	0.33	S	S	*	.	H	α-helix	trans	-58.7	-32.1	-176.7	0	0	0	0	0	112	N237 S243	N237-A239 PolarHBondContact O-N 2.84Å; A239-S243 VanDerWaalsContact O-CB 3.31Å; A239-S243 WeakPolarHBondContact O-CB 3.31Å; A239-S243 PolarHBondContact O-N 2.91Å
240	T	91.4	Very high	91.2	Very high	97 Å²	97	61.7 Å²	61.7	60%	0.595	32%	0.322	S	S	*	.	H	α-helix	trans	-70.1	-41.8	174.5	-54.4	0	0	0	0	111.6	N237 R238 S244	N237-T240 WeakPolarHBondContact O-CB 3.32Å; N237-T240 PolarHBondContact O-N 3.12Å; R238-T240 PolarHBondContact O-N 3.47Å; R238-T240 VanDerWaalsContact O-N 3.14Å; T240-S244 VanDerWaalsContact O-CB 3.25Å; T240-S244 WeakPolarHBondContact O-CB 3.26Å; T240-S244 PolarHBondContact O-N 3.21Å
241	L	90.9	Very high	90.8	Very high	21 Å²	21	64.2 Å²	64.2	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-64.1	-44.1	176.6	-64	178	0	0	0	111.9	F206 Q233 W234 N237 R238 S244 G245	F206-L241 HydrophobicContact CD2-CB 4.42Å; F206-L241 HydrophobicContact CD2-CD1 4.23Å; F206-L241 HydrophobicContact CD2-CD2 3.94Å; F206-L241 HydrophobicContact CD2-CG 4.44Å; F206-L241 HydrophobicContact CE2-CD1 4.06Å; F206-L241 HydrophobicContact CE2-CD2 4.49Å; F206-L241 HydrophobicContact CG-CB 4.4Å; Q233-L241 HydrophobicContact CB-CD1 4.09Å; W234-L241 HydrophobicContact CE3-CD1 3.96Å; N237-L241 PolarHBondContact O-N 3.46Å; R238-L241 WeakPolarHBondContact O-CA 3.12Å; R238-L241 WeakPolarHBondContact O-CB 3.34Å; R238-L241 PolarHBondContact O-N 3.43Å; L241-S244 WeakPolarHBondContact O-CB 3.35Å; L241-S244 PolarHBondContact O-N 2.78Å; L241-G245 PolarHBondContact O-N 3.15Å
242	E	90.3	Very high	90.4	Very high	60 Å²	60	63.9 Å²	63.9	28%	0.28	34%	0.341	S	S	.	.	H	α-helix	trans	-64.3	-45.4	177.9	-70.9	175.2	162.6	0	0	111.7	T200 R238 S244 G245 E246	T200-E242 HydrophobicContact CG2-CG 4.02Å; R238-E242 HydrophobicContact CG-CG 4.27Å; R238-E242 IonicContact CZ-OE1 3.97Å; R238-E242 IonicContact NE-OE1 3.64Å; R238-E242 PolarHBondContact NE-OE1 3.37Å; R238-E242 IonicContact NE-OE2 3.7Å; R238-E242 IonicContact NH2-OE1 3.55Å; R238-E242 PolarHBondContact NH2-OE1 3.02Å; R238-E242 PolarHBondContact O-N 3.16Å; E242-S244 VanDerWaalsContact C-N 3.3Å; E242-S244 PolarHBondContact O-N 3.33Å; E242-G245 PolarHBondContact O-N 3.11Å; E242-E246 PolarHBondContact O-N 3.35Å
243	S	90.1	Very high	90	Very high	43 Å²	43	63 Å²	63	30%	0.301	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-36.8	174.5	-176.9	0	0	0	0	112.1	A239 K247	A239-S243 VanDerWaalsContact O-CB 3.31Å; A239-S243 WeakPolarHBondContact O-CB 3.31Å; A239-S243 PolarHBondContact O-N 2.91Å; S243-K247 VanDerWaalsContact O-CG 3.29Å; S243-K247 WeakPolarHBondContact O-CG 3.25Å; S243-K247 PolarHBondContact O-N 2.91Å; S243-K247 VanDerWaalsContact O-N 3.09Å; S243-K247 WeakPolarHBondContact OG-CE 3.46Å; S243-K247 PolarHBondContact OG-NZ 3.22Å
244	S	87.8	Confident	89.7	Confident	48 Å²	48	67.5 Å²	67.5	34%	0.336	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-47	175.6	-171	0	0	0	0	110.8	T240 L241 E242 E246 K247 I248	T240-S244 VanDerWaalsContact O-CB 3.25Å; T240-S244 WeakPolarHBondContact O-CB 3.26Å; T240-S244 PolarHBondContact O-N 3.21Å; L241-S244 WeakPolarHBondContact O-CB 3.35Å; L241-S244 PolarHBondContact O-N 2.78Å; E242-S244 VanDerWaalsContact C-N 3.3Å; E242-S244 PolarHBondContact O-N 3.33Å; S244-E246 VanDerWaalsContact C-N 3.33Å; S244-E246 PolarHBondContact O-N 3.4Å; S244-K247 PolarHBondContact O-N 2.73Å; S244-I248 VanDerWaalsContact O-CG1 3.22Å; S244-I248 WeakPolarHBondContact O-CG1 3.13Å; S244-I248 PolarHBondContact O-N 2.63Å
245	G	86.1	Confident	89.2	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-60.3	-40.8	177.9	0	0	0	0	0	112.8	P205 L241 E242 I248 I249	P205-G245 VanDerWaalsContact O-CA 3.29Å; P205-G245 WeakPolarHBondContact O-CA 3.27Å; L241-G245 PolarHBondContact O-N 3.15Å; E242-G245 PolarHBondContact O-N 3.11Å; G245-I248 PolarHBondContact O-N 3.33Å; G245-I249 WeakPolarHBondContact O-CG1 3.29Å; G245-I249 PolarHBondContact O-N 2.99Å
246	E	88.1	Confident	88.8	Confident	86 Å²	86	65.2 Å²	65.2	40%	0.402	36%	0.361	S	S	.	.	H	α-helix	trans	-62.1	-49.8	175.1	-173.9	161.7	-119.5	0	0	112.4	R204 E242 S244 I248 I249 D250	R204-E246 IonicContact CZ-OE1 2.83Å; R204-E246 IonicContact NH1-OE1 2.96Å; R204-E246 PolarHBondContact NH1-OE1 3.29Å; R204-E246 IonicContact NH1-OE2 2.72Å; R204-E246 IonicContact NH2-OE1 3.91Å; E242-E246 PolarHBondContact O-N 3.35Å; S244-E246 VanDerWaalsContact C-N 3.33Å; S244-E246 PolarHBondContact O-N 3.4Å; E246-I248 VanDerWaalsContact C-N 3.26Å; E246-I248 PolarHBondContact O-N 3Å; E246-I249 PolarHBondContact O-N 3.27Å; E246-D250 PolarHBondContact O-N 3.37Å
247	K	88.9	Confident	88.4	Confident	137 Å²	137	64.5 Å²	64.5	60%	0.596	36%	0.361	S	S	*	.	H	α-helix	trans	-60.1	-38	177.9	-73.1	169.3	-176.4	166	0	112.2	S243 S244 A251	S243-K247 VanDerWaalsContact O-CG 3.29Å; S243-K247 WeakPolarHBondContact O-CG 3.25Å; S243-K247 PolarHBondContact O-N 2.91Å; S243-K247 VanDerWaalsContact O-N 3.09Å; S243-K247 WeakPolarHBondContact OG-CE 3.46Å; S243-K247 PolarHBondContact OG-NZ 3.22Å; S244-K247 PolarHBondContact O-N 2.73Å; K247-A251 VanDerWaalsContact O-CB 3.3Å; K247-A251 WeakPolarHBondContact O-CB 3.36Å; K247-A251 PolarHBondContact O-N 2.81Å
248	I	87.7	Confident	88.1	Confident	34 Å²	34	62.4 Å²	62.4	17%	0.174	35%	0.349	C	S	.	.	H	α-helix	trans	-68.8	-45.9	178.8	-67.7	166.6	0	0	0	110.4	F183 S244 G245 E246 D250 A251 L252	F183-I248 HydrophobicContact CD2-CG2 3.52Å; F183-I248 HydrophobicContact CE2-CD1 3.98Å; F183-I248 HydrophobicContact CE2-CG2 3.74Å; S244-I248 VanDerWaalsContact O-CG1 3.22Å; S244-I248 WeakPolarHBondContact O-CG1 3.13Å; S244-I248 PolarHBondContact O-N 2.63Å; G245-I248 PolarHBondContact O-N 3.33Å; E246-I248 VanDerWaalsContact C-N 3.26Å; E246-I248 PolarHBondContact O-N 3Å; I248-D250 VanDerWaalsContact C-N 3.31Å; I248-D250 PolarHBondContact O-N 3.38Å; I248-A251 PolarHBondContact O-N 2.66Å; I248-L252 HydrophobicContact CG2-CD1 4.01Å; I248-L252 HydrophobicContact CG2-CG 4.18Å; I248-L252 WeakPolarHBondContact O-CB 3.34Å; I248-L252 VanDerWaalsContact O-CG 3.28Å; I248-L252 WeakPolarHBondContact O-CG 3.34Å; I248-L252 PolarHBondContact O-N 2.9Å
249	I	88	Confident	87.9	Confident	9 Å²	9	62.3 Å²	62.3	5%	0.046	36%	0.357	C	S	.	.	H	α-helix	trans	-59.9	-41.8	175.6	-72.2	-60.1	0	0	0	111.5	P205 G245 E246 L252 K253 L660	P205-I249 HydrophobicContact CG-CD1 3.96Å; G245-I249 WeakPolarHBondContact O-CG1 3.29Å; G245-I249 PolarHBondContact O-N 2.99Å; E246-I249 PolarHBondContact O-N 3.27Å; I249-L252 HydrophobicContact CD1-CD1 4.47Å; I249-L252 PolarHBondContact O-N 3.34Å; I249-K253 HydrophobicContact CG2-CD 4.08Å; I249-K253 WeakPolarHBondContact O-CB 3.36Å; I249-K253 WeakPolarHBondContact O-CG 3.41Å; I249-K253 PolarHBondContact O-N 3.3Å; I249-L660 HydrophobicContact CD1-CD1 4.26Å; I249-L660 HydrophobicContact CG1-CD1 4.42Å
250	D	88.3	Confident	87.6	Confident	75 Å²	75	59.4 Å²	59.4	40%	0.401	33%	0.333	S	S	.	.	H	α-helix	trans	-67.2	-35.9	177	-76.6	-11.9	0	0	0	112.7	E246 I248 K254	E246-D250 PolarHBondContact O-N 3.37Å; I248-D250 VanDerWaalsContact C-N 3.31Å; I248-D250 PolarHBondContact O-N 3.38Å; D250-K254 WeakPolarHBondContact O-CG 2.93Å; D250-K254 PolarHBondContact O-N 2.82Å
251	A	87.7	Confident	87.2	Confident	57 Å²	57	60.1 Å²	60.1	47%	0.471	33%	0.333	S	S	.	.	H	α-helix	trans	-67.6	-43.9	173.7	0	0	0	0	0	111.5	K247 I248 K254 A255	K247-A251 VanDerWaalsContact O-CB 3.3Å; K247-A251 WeakPolarHBondContact O-CB 3.36Å; K247-A251 PolarHBondContact O-N 2.81Å; I248-A251 PolarHBondContact O-N 2.66Å; A251-K254 PolarHBondContact O-N 3.25Å; A251-A255 WeakPolarHBondContact O-CB 3.37Å; A251-A255 PolarHBondContact O-N 3.41Å
252	L	87.6	Confident	86.5	Confident	11 Å²	11	65.5 Å²	65.5	6%	0.058	37%	0.37	C	S	.	.	H	α-helix	trans	-60.9	-48.3	175.3	-71.8	178.8	0	0	0	110.7	T182 F183 A186 I248 I249 K254 A255 T256 L661	T182-L252 HydrophobicContact CG2-CD2 3.95Å; F183-L252 HydrophobicContact CB-CD1 3.89Å; F183-L252 HydrophobicContact CD2-CD1 4.4Å; A186-L252 HydrophobicContact CB-CD2 3.77Å; I248-L252 HydrophobicContact CG2-CD1 4.01Å; I248-L252 HydrophobicContact CG2-CG 4.18Å; I248-L252 WeakPolarHBondContact O-CB 3.34Å; I248-L252 VanDerWaalsContact O-CG 3.28Å; I248-L252 WeakPolarHBondContact O-CG 3.34Å; I248-L252 PolarHBondContact O-N 2.9Å; I249-L252 HydrophobicContact CD1-CD1 4.47Å; I249-L252 PolarHBondContact O-N 3.34Å; L252-K254 VanDerWaalsContact C-N 3.26Å; L252-K254 PolarHBondContact O-N 3.31Å; L252-A255 PolarHBondContact O-N 3.39Å; L252-A255 VanDerWaalsContact O-N 3.08Å; L252-T256 WeakPolarHBondContact O-CB 3.16Å; L252-T256 WeakPolarHBondContact O-CG2 3.39Å; L252-T256 PolarHBondContact O-N 3.27Å; L252-T256 PolarHBondContact O-OG1 2.74Å; L252-L661 HydrophobicContact CB-CD2 4.13Å
253	K	87.1	Confident	86	Confident	87 Å²	87	66.5 Å²	66.5	38%	0.378	40%	0.396	S	S	.	.	H	α-helix	trans	-48.7	-48.3	173.6	-83.7	170	-179.3	177.6	0	112.3	I249 T257 L661	I249-K253 HydrophobicContact CG2-CD 4.08Å; I249-K253 WeakPolarHBondContact O-CB 3.36Å; I249-K253 WeakPolarHBondContact O-CG 3.41Å; I249-K253 PolarHBondContact O-N 3.3Å; K253-T257 PolarHBondContact O-N 3.09Å; K253-T257 PolarHBondContact O-OG1 3.14Å; K253-L661 HydrophobicContact CB-CD1 4.37Å; K253-L661 HydrophobicContact CG-CD1 3.48Å; K253-L661 VanDerWaalsContact CG-CD1 3.48Å
254	K	86.2	Confident	85.9	Confident	166 Å²	166	67.3 Å²	67.3	72%	0.722	40%	0.395	S	S	*	.	H	α-helix	trans	-69.2	-41.7	179.5	-70.2	171.5	-175	175	0	112.3	D250 A251 L252	D250-K254 WeakPolarHBondContact O-CG 2.93Å; D250-K254 PolarHBondContact O-N 2.82Å; A251-K254 PolarHBondContact O-N 3.25Å; L252-K254 VanDerWaalsContact C-N 3.26Å; L252-K254 PolarHBondContact O-N 3.31Å
255	A	83.9	Confident	86	Confident	85 Å²	85	69.4 Å²	69.4	70%	0.702	41%	0.409	S	S	*	.	H	α-helix	trans	-71.5	-29.4	-177.4	0	0	0	0	0	113.3	A251 L252	A251-A255 WeakPolarHBondContact O-CB 3.37Å; A251-A255 PolarHBondContact O-N 3.41Å; L252-A255 PolarHBondContact O-N 3.39Å; L252-A255 VanDerWaalsContact O-N 3.08Å
256	T	84.1	Confident	86.4	Confident	30 Å²	30	70.9 Å²	70.9	18%	0.184	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	8	179.8	68.3	0	0	0	0	112.9	T182 L252 I258 L663	T182-T256 HydrophobicContact CG2-CG2 3.91Å; L252-T256 WeakPolarHBondContact O-CB 3.16Å; L252-T256 WeakPolarHBondContact O-CG2 3.39Å; L252-T256 PolarHBondContact O-N 3.27Å; L252-T256 PolarHBondContact O-OG1 2.74Å; T256-I258 PolarHBondContact O-N 3.04Å; T256-L663 HydrophobicContact CG2-CD2 3.79Å; T256-L663 WeakPolarHBondContact OG1-CD2 3.42Å
257	T	86.5	Confident	86.8	Confident	92 Å²	92	67.8 Å²	67.8	56%	0.564	41%	0.406	S	S	*	.			trans	-70.5	115.9	174.4	-67	0	0	0	0	108.8	K253 T259	K253-T257 PolarHBondContact O-N 3.09Å; K253-T257 PolarHBondContact O-OG1 3.14Å; T257-T259 HydrophobicContact CG2-CG2 4.12Å
258	I	86.4	Confident	87.2	Confident	26 Å²	26	66.6 Å²	66.6	13%	0.133	41%	0.406	C	S	.	.			trans	-115.9	117.5	174.7	-60.3	178.1	0	0	0	106.9	T256 K664 D666 A704 F705	T256-I258 PolarHBondContact O-N 3.04Å; I258-K664 HydrophobicContact CB-CB 4.37Å; I258-K664 HydrophobicContact CB-CD 4.16Å; I258-K664 HydrophobicContact CD1-CB 4.02Å; I258-K664 HydrophobicContact CG2-CD 4.4Å; I258-K664 PolarHBondContact O-NZ 3.23Å; I258-D666 HydrophobicContact CD1-CB 3.59Å; I258-A704 HydrophobicContact CG2-CB 4.34Å; I258-A704 WeakPolarHBondContact CG2-O 3.15Å; I258-F705 HydrophobicContact CD1-CD1 4.07Å; I258-F705 HydrophobicContact CD1-CE1 3.5Å; I258-F705 VanDerWaalsContact CD1-CE1 3.5Å; I258-F705 HydrophobicContact CD1-CZ 4.06Å; I258-F705 HydrophobicContact CG2-CD1 4Å; I258-F705 HydrophobicContact CG2-CD2 4.05Å; I258-F705 HydrophobicContact CG2-CE1 3.98Å; I258-F705 HydrophobicContact CG2-CE2 4.04Å; I258-F705 HydrophobicContact CG2-CG 4.05Å; I258-F705 HydrophobicContact CG2-CZ 4.01Å
259	T	87.4	Confident	87.6	Confident	70 Å²	70	65.1 Å²	65.1	43%	0.429	40%	0.399	S	S	.	.			trans	-152.4	134.4	-175.6	-173.6	0	0	0	0	110.1	T257 G646	T257-T259 HydrophobicContact CG2-CG2 4.12Å; T259-G646 CarbonylContact C-O 3.54Å; T259-G646 WeakPolarHBondContact CA-O 3.45Å; T259-G646 WeakPolarHBondContact OG1-CA 3.42Å
260	A	84.4	Confident	88	Confident	14 Å²	14	67.1 Å²	67.1	12%	0.116	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-76.9	147.9	164.9	0	0	0	0	0	109.5	G646 A703 A704	A260-G646 PolarHBondContact N-O 3.3Å; A260-A703 HydrophobicContact CB-CB 4.13Å; A260-A704 HydrophobicContact CB-CB 4.16Å
261	N	83.1	Confident	88.5	Confident	111 Å²	111	68.4 Å²	68.4	59%	0.594	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-75.3	150.7	163.1	-62.3	-72.4	0	0	0	110.2	G263 E264	N261-G263 PolarHBondContact O-N 3.43Å; N261-G263 VanDerWaalsContact O-N 3.14Å; N261-E264 HydrophobicContact CB-CB 4.23Å; N261-E264 WeakPolarHBondContact CB-OE2 3.4Å; N261-E264 PolarHBondContact N-OE2 3.29Å; N261-E264 PolarHBondContact ND2-OE2 2.96Å; N261-E264 WeakPolarHBondContact O-CB 3.28Å; N261-E264 PolarHBondContact O-N 2.97Å
262	P	77.8	Confident	89	Confident	135 Å²	135	65.9 Å²	65.9	88%	0.877	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	122	175.6	-26.5	34.9	0	0	0	112.1	E264	P262-E264 VanDerWaalsContact C-N 3.31Å
263	G	78.6	Confident	89.5	Confident	80 Å²	80	65.4 Å²	65.4	83%	0.825	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	5	-178.5	0	0	0	0	0	115.1	N261	N261-G263 PolarHBondContact O-N 3.43Å; N261-G263 VanDerWaalsContact O-N 3.14Å
264	E	87.6	Confident	90.1	Very high	61 Å²	61	64.5 Å²	64.5	29%	0.285	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-63.4	133.7	172.9	-170.8	172.5	162.6	0	0	110.7	N261 P262 A703 S706	N261-E264 HydrophobicContact CB-CB 4.23Å; N261-E264 WeakPolarHBondContact CB-OE2 3.4Å; N261-E264 PolarHBondContact N-OE2 3.29Å; N261-E264 PolarHBondContact ND2-OE2 2.96Å; N261-E264 WeakPolarHBondContact O-CB 3.28Å; N261-E264 PolarHBondContact O-N 2.97Å; P262-E264 VanDerWaalsContact C-N 3.31Å; E264-A703 HydrophobicContact CB-CB 4.49Å; E264-A703 HydrophobicContact CG-CB 4.43Å; E264-A703 WeakPolarHBondContact O-CB 3.44Å; E264-S706 VanDerWaalsContact OE1-CB 3.27Å; E264-S706 WeakPolarHBondContact OE1-CB 3.43Å; E264-S706 PolarHBondContact OE1-OG 2.87Å; E264-S706 VanDerWaalsContact OE1-OG 3.08Å
265	S	90.8	Very high	90.7	Very high	91 Å²	91	62.5 Å²	62.5	64%	0.636	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-98.8	149.7	176.2	-62.8	0	0	0	0	110
266	P	94.6	Very high	91.4	Very high	31 Å²	31	58.4 Å²	58.4	20%	0.201	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-54.7	151.1	172.8	-27.7	37.4	0	0	0	112.4	Q699 L702 A703 L723	P266-Q699 HydrophobicContact CG-CB 4.38Å; P266-Q699 VanDerWaalsContact CG-O 3.27Å; P266-Q699 WeakPolarHBondContact CG-O 3.44Å; P266-L702 HydrophobicContact CB-CB 3.96Å; P266-L702 HydrophobicContact CG-CB 3.85Å; P266-A703 HydrophobicContact CG-CB 4.29Å; P266-L723 HydrophobicContact CB-CD1 3.73Å
267	P	96	Very high	92.1	Very high	22 Å²	22	57 Å²	57	14%	0.143	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-64.8	161.4	175.5	28.8	-35.1	0	0	0	111.5	A269 V272 L709 T710 L723	P267-A269 PolarHBondContact O-N 3.44Å; P267-V272 HydrophobicContact CB-CG2 3.79Å; P267-V272 HydrophobicContact CG-CG2 3.81Å; P267-L709 HydrophobicContact CG-CB 4.14Å; P267-L709 HydrophobicContact CG-CD1 4.29Å; P267-T710 HydrophobicContact CB-CG2 3.72Å; P267-T710 HydrophobicContact CG-CG2 4.25Å; P267-L723 HydrophobicContact CG-CD2 4.02Å
268	L	96.4	Very high	92.6	Very high	112 Å²	112	56 Å²	56	59%	0.586	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-65.5	122.2	178.1	-66.5	178	0	0	0	110.7	D271 V272	L268-D271 HydrophobicContact CB-CB 4.44Å; L268-D271 PolarHBondContact O-N 3.37Å; L268-V272 PolarHBondContact O-N 3.1Å
269	A	96.9	Very high	93.2	Very high	2 Å²	2	57.2 Å²	57.2	2%	0.017	34%	0.335	C	S	.	.	H	α-helix	trans	-58.4	-43.2	-177.1	0	0	0	0	0	113.6	P267 D271 V272 A273 L723 H727	P267-A269 PolarHBondContact O-N 3.44Å; A269-D271 VanDerWaalsContact C-N 3.32Å; A269-D271 PolarHBondContact O-N 3.49Å; A269-V272 PolarHBondContact O-N 3.14Å; A269-A273 WeakPolarHBondContact O-CB 3.41Å; A269-A273 PolarHBondContact O-N 2.99Å; A269-L723 HydrophobicContact CB-CD2 4.26Å; A269-L723 HydrophobicContact CB-CG 3.84Å; A269-H727 HydrophobicContact CB-CB 3.42Å; A269-H727 VanDerWaalsContact CB-CB 3.42Å
270	P	97.2	Very high	93.7	Very high	52 Å²	52	53.9 Å²	53.9	34%	0.338	31%	0.314	S	S	.	.	H	α-helix	trans	-59.2	-40.4	178.9	-26.6	36.8	0	0	0	113.3	N274	P270-N274 WeakPolarHBondContact O-CB 3.32Å; P270-N274 PolarHBondContact O-N 2.99Å
271	D	97.9	Very high	94.3	Very high	101 Å²	101	55.1 Å²	55.1	54%	0.54	32%	0.32	S	S	.	.	H	α-helix	trans	-67.3	-46.5	-179.7	-66.7	-21.8	0	0	0	111.6	L268 A269 R275	L268-D271 HydrophobicContact CB-CB 4.44Å; L268-D271 PolarHBondContact O-N 3.37Å; A269-D271 VanDerWaalsContact C-N 3.32Å; A269-D271 PolarHBondContact O-N 3.49Å; D271-R275 WeakPolarHBondContact O-CB 3.37Å; D271-R275 PolarHBondContact O-N 3.4Å
272	V	98.6	Very high	94.9	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.024	33%	0.328	C	S	.	.	H	α-helix	trans	-66.2	-45.8	179	172.1	0	0	0	0	110.8	P267 L268 A269 R275 C276 L709 P713 V720 L723	P267-V272 HydrophobicContact CB-CG2 3.79Å; P267-V272 HydrophobicContact CG-CG2 3.81Å; L268-V272 PolarHBondContact O-N 3.1Å; A269-V272 PolarHBondContact O-N 3.14Å; V272-R275 PolarHBondContact O-N 3.28Å; V272-C276 WeakPolarHBondContact O-CB 3.43Å; V272-C276 PolarHBondContact O-N 3.44Å; V272-L709 HydrophobicContact CG1-CB 4.13Å; V272-L709 HydrophobicContact CG1-CD2 4.39Å; V272-L709 WeakPolarHBondContact CG1-O 3.48Å; V272-L709 HydrophobicContact CG2-CB 4.49Å; V272-P713 HydrophobicContact CG1-CB 3.96Å; V272-V720 HydrophobicContact CG1-CG1 4.1Å; V272-V720 HydrophobicContact CG1-CG2 3.83Å; V272-L723 HydrophobicContact CB-CD2 3.87Å; V272-L723 HydrophobicContact CG1-CD2 3.91Å; V272-L723 HydrophobicContact CG2-CD2 3.99Å
273	A	98.6	Very high	95.7	Very high	2 Å²	2	53.1 Å²	53.1	2%	0.017	30%	0.3	C	S	.	.	H	α-helix	trans	-64.5	-45.7	179.7	0	0	0	0	0	111.4	A269 R275 C276 F277 F305 Y309 V720 M724	A269-A273 WeakPolarHBondContact O-CB 3.41Å; A269-A273 PolarHBondContact O-N 2.99Å; A273-R275 VanDerWaalsContact C-N 3.33Å; A273-R275 PolarHBondContact O-N 3.44Å; A273-C276 WeakPolarHBondContact O-CB 3.43Å; A273-C276 PolarHBondContact O-N 3.13Å; A273-F277 WeakPolarHBondContact O-CB 3.39Å; A273-F277 PolarHBondContact O-N 2.92Å; A273-F305 HydrophobicContact CB-CE2 4.3Å; A273-F305 WeakPolarHBondContact O-CZ 3.17Å; A273-Y309 HydrophobicContact CB-CD2 4.04Å; A273-Y309 HydrophobicContact CB-CE2 4.16Å; A273-V720 HydrophobicContact CB-CG1 4.12Å; A273-M724 HydrophobicContact CB-CG 4.07Å; A273-M724 HydrophobicContact CB-SD 3.96Å
274	N	98.4	Very high	96.6	Very high	68 Å²	68	51.3 Å²	51.3	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-61.8	-42.3	175.5	-176.7	41.7	0	0	0	111.1	P270 C276 F277 Q278 Y309	P270-N274 WeakPolarHBondContact O-CB 3.32Å; P270-N274 PolarHBondContact O-N 2.99Å; N274-C276 PolarHBondContact O-N 3.28Å; N274-F277 PolarHBondContact O-N 2.7Å; N274-Q278 VanDerWaalsContact O-CG 3.28Å; N274-Q278 WeakPolarHBondContact O-CG 3.21Å; N274-Q278 PolarHBondContact O-N 3.12Å; N274-Y309 PolarHBondContact OD1-OH 2.87Å
275	R	98.6	Very high	96.9	Very high	123 Å²	123	50 Å²	50	46%	0.464	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-42.2	175.7	-175.6	173.4	-62	-172.6	3.1	112.6	D271 V272 A273 Q278 Q279 T710 P713	D271-R275 WeakPolarHBondContact O-CB 3.37Å; D271-R275 PolarHBondContact O-N 3.4Å; V272-R275 PolarHBondContact O-N 3.28Å; A273-R275 VanDerWaalsContact C-N 3.33Å; A273-R275 PolarHBondContact O-N 3.44Å; R275-Q278 PolarHBondContact O-N 3.08Å; R275-Q279 WeakPolarHBondContact O-CG 3.09Å; R275-Q279 PolarHBondContact O-N 2.8Å; R275-T710 WeakPolarHBondContact CD-O 3.45Å; R275-T710 PolarHBondContact NH1-O 2.82Å; R275-P713 HydrophobicContact CB-CG 3.96Å; R275-P713 HydrophobicContact CG-CG 3.73Å
276	C	98.6	Very high	97.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.8	-48.9	174.8	-166.7	0	0	0	0	111	V272 A273 N274 Q278 Q279 L280 F305 P713 V720	V272-C276 WeakPolarHBondContact O-CB 3.43Å; V272-C276 PolarHBondContact O-N 3.44Å; A273-C276 WeakPolarHBondContact O-CB 3.43Å; A273-C276 PolarHBondContact O-N 3.13Å; N274-C276 PolarHBondContact O-N 3.28Å; C276-Q278 PolarHBondContact O-N 3.37Å; C276-Q279 PolarHBondContact O-N 3.2Å; C276-L280 PolarHBondContact O-N 3.31Å; C276-F305 HydrophobicContact CB-CE1 3.91Å; C276-F305 HydrophobicContact CB-CE2 4.01Å; C276-F305 HydrophobicContact CB-CZ 3.54Å; C276-P713 HydrophobicContact CB-CB 3.83Å; C276-P713 HydrophobicContact CB-CG 4.05Å; C276-V720 HydrophobicContact CB-CG1 4.42Å; C276-V720 HydrophobicContact CB-CG2 4.46Å
277	F	98.7	Very high	97.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.8	-49	175.5	169.7	-106.4	0	0	0	111.7	A273 N274 Q279 L280 V281 F305 L306 Y309 E318 E321 A322 M325	A273-F277 WeakPolarHBondContact O-CB 3.39Å; A273-F277 PolarHBondContact O-N 2.92Å; N274-F277 PolarHBondContact O-N 2.7Å; F277-Q279 VanDerWaalsContact C-N 3.31Å; F277-Q279 PolarHBondContact O-N 2.84Å; F277-L280 PolarHBondContact O-N 2.7Å; F277-L280 VanDerWaalsContact O-N 3.09Å; F277-V281 HydrophobicContact CD1-CG2 4.33Å; F277-V281 HydrophobicContact CD2-CG2 4.09Å; F277-V281 HydrophobicContact CE1-CG2 3.84Å; F277-V281 HydrophobicContact CE2-CG2 3.56Å; F277-V281 HydrophobicContact CG-CG2 4.44Å; F277-V281 HydrophobicContact CZ-CG2 3.43Å; F277-V281 VanDerWaalsContact CZ-CG2 3.43Å; F277-V281 WeakPolarHBondContact O-CG2 3.46Å; F277-V281 PolarHBondContact O-N 3.44Å; F277-F305 HydrophobicContact CB-CE1 4.27Å; F277-F305 HydrophobicContact CB-CZ 4.34Å; F277-L306 HydrophobicContact CD2-CD2 3.91Å; F277-L306 HydrophobicContact CE2-CD2 4.44Å; F277-Y309 HydrophobicContact CB-CD1 4.33Å; F277-Y309 HydrophobicContact CB-CD2 4.24Å; F277-Y309 HydrophobicContact CB-CE1 4.06Å; F277-Y309 HydrophobicContact CB-CE2 3.97Å; F277-Y309 HydrophobicContact CB-CG 4.41Å; F277-Y309 AromaticContact CD1-CE1 3.96Å; F277-Y309 HydrophobicContact CD1-CE1 3.96Å; F277-Y309 HydrophobicContact CD2-CD1 4.06Å; F277-Y309 AromaticContact CD2-CE1 3.97Å; F277-Y309 HydrophobicContact CD2-CE1 3.97Å; F277-Y309 HydrophobicContact CE1-CE1 4.45Å; F277-Y309 HydrophobicContact CE2-CE1 4.46Å; F277-Y309 HydrophobicContact CG-CD1 4.14Å; F277-Y309 AromaticContact CG-CE1 3.7Å; F277-Y309 HydrophobicContact CG-CE1 3.7Å; F277-Y309 HydrophobicContact CG-CE2 4.49Å; F277-Y309 AromaticContact CG-CZ 3.9Å; F277-E318 HydrophobicContact CD1-CB 4.37Å; F277-E318 HydrophobicContact CE1-CB 3.65Å; F277-E318 HydrophobicContact CE1-CG 3.8Å; F277-E318 HydrophobicContact CZ-CB 3.98Å; F277-E318 HydrophobicContact CZ-CG 4.44Å; F277-E318 WeakPolarHBondContact CZ-O 3.49Å; F277-E321 HydrophobicContact CZ-CB 4.27Å; F277-E321 HydrophobicContact CZ-CG 4.29Å; F277-A322 HydrophobicContact CD2-CB 3.89Å; F277-A322 HydrophobicContact CE2-CB 3.66Å; F277-M325 HydrophobicContact CE2-SD 4.22Å
278	Q	98.4	Very high	97	Very high	70 Å²	70	58.6 Å²	58.6	33%	0.327	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-37.1	178.6	-67	-58.5	-36.9	0	0	112.9	N274 R275 C276 V281 H282	N274-Q278 VanDerWaalsContact O-CG 3.28Å; N274-Q278 WeakPolarHBondContact O-CG 3.21Å; N274-Q278 PolarHBondContact O-N 3.12Å; R275-Q278 PolarHBondContact O-N 3.08Å; C276-Q278 PolarHBondContact O-N 3.37Å; Q278-V281 PolarHBondContact O-N 3.26Å; Q278-H282 PolarHBondContact O-N 3.36Å; Q278-H282 PolarHBondContact O-ND1 3.42Å
279	Q	97.8	Very high	97	Very high	53 Å²	53	53.2 Å²	53.2	25%	0.248	26%	0.258	C	S	.	.	H	α-helix	trans	-67.3	-38.1	174.8	-73.1	176.8	-17.4	0	0	111.9	R275 C276 F277 H282 S283 I714	R275-Q279 WeakPolarHBondContact O-CG 3.09Å; R275-Q279 PolarHBondContact O-N 2.8Å; C276-Q279 PolarHBondContact O-N 3.2Å; F277-Q279 VanDerWaalsContact C-N 3.31Å; F277-Q279 PolarHBondContact O-N 2.84Å; Q279-H282 PolarHBondContact O-N 2.86Å; Q279-S283 PolarHBondContact O-N 3.39Å; Q279-S283 PolarHBondContact O-OG 3.45Å; Q279-I714 HydrophobicContact CB-CB 3.96Å; Q279-I714 HydrophobicContact CB-CD1 3.98Å; Q279-I714 HydrophobicContact CB-CG2 4.2Å; Q279-I714 VanDerWaalsContact OE1-CB 3.32Å; Q279-I714 VanDerWaalsContact OE1-N 3.11Å
280	L	97.9	Very high	96.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.6	-42.4	174.6	-74.3	166.8	0	0	0	111.5	C276 F277 H282 S283 Y284 F291 N302 F305 L306 M325 I714	C276-L280 PolarHBondContact O-N 3.31Å; F277-L280 PolarHBondContact O-N 2.7Å; F277-L280 VanDerWaalsContact O-N 3.09Å; L280-H282 VanDerWaalsContact C-N 3.32Å; L280-H282 PolarHBondContact O-N 2.93Å; L280-S283 PolarHBondContact O-N 3.34Å; L280-S283 VanDerWaalsContact O-N 3.14Å; L280-S283 PolarHBondContact O-OG 2.99Å; L280-S283 VanDerWaalsContact O-OG 3.1Å; L280-Y284 WeakPolarHBondContact O-CB 3.49Å; L280-Y284 PolarHBondContact O-N 3.04Å; L280-F291 HydrophobicContact CB-CD1 4.05Å; L280-F291 HydrophobicContact CB-CE1 3.98Å; L280-F291 HydrophobicContact CD2-CB 4.38Å; L280-F291 HydrophobicContact CD2-CD1 3.43Å; L280-F291 VanDerWaalsContact CD2-CD1 3.43Å; L280-F291 HydrophobicContact CD2-CD2 4.37Å; L280-F291 HydrophobicContact CD2-CE1 3.72Å; L280-F291 HydrophobicContact CD2-CG 3.79Å; L280-F291 HydrophobicContact CD2-CZ 4.35Å; L280-F291 HydrophobicContact CG-CD1 4.34Å; L280-F291 HydrophobicContact CG-CE1 4.37Å; L280-N302 HydrophobicContact CD2-CB 4.04Å; L280-F305 HydrophobicContact CD1-CD1 3.44Å; L280-F305 VanDerWaalsContact CD1-CD1 3.44Å; L280-F305 HydrophobicContact CD1-CE1 3.68Å; L280-L306 HydrophobicContact CD1-CD2 3.98Å; L280-L306 HydrophobicContact CD1-CG 4.11Å; L280-M325 HydrophobicContact CB-CE 4.46Å; L280-I714 HydrophobicContact CD2-CD1 3.58Å; L280-I714 HydrophobicContact CD2-CG1 3.85Å; L280-I714 HydrophobicContact CG-CD1 3.85Å; L280-I714 HydrophobicContact CG-CG1 4.07Å
281	V	97.8	Very high	96.7	Very high	39 Å²	39	51.7 Å²	51.7	24%	0.236	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-45.6	173.8	170.3	0	0	0	0	111.1	F277 Q278 S283 Y284 M325	F277-V281 HydrophobicContact CD1-CG2 4.33Å; F277-V281 HydrophobicContact CD2-CG2 4.09Å; F277-V281 HydrophobicContact CE1-CG2 3.84Å; F277-V281 HydrophobicContact CE2-CG2 3.56Å; F277-V281 HydrophobicContact CG-CG2 4.44Å; F277-V281 HydrophobicContact CZ-CG2 3.43Å; F277-V281 VanDerWaalsContact CZ-CG2 3.43Å; F277-V281 WeakPolarHBondContact O-CG2 3.46Å; F277-V281 PolarHBondContact O-N 3.44Å; Q278-V281 PolarHBondContact O-N 3.26Å; V281-S283 PolarHBondContact O-N 3.11Å; V281-Y284 PolarHBondContact O-N 2.78Å; V281-M325 HydrophobicContact CG2-CE 4.13Å; V281-M325 HydrophobicContact CG2-SD 4.02Å
282	H	96.1	Very high	96.1	Very high	164 Å²	164	54.4 Å²	54.4	76%	0.759	25%	0.253	S	S	*	.	H	α-helix	trans	-64.7	-23.1	179.4	-83.7	79.3	0	0	0	114.4	Q278 Q279 L280	Q278-H282 PolarHBondContact O-N 3.36Å; Q278-H282 PolarHBondContact O-ND1 3.42Å; Q279-H282 PolarHBondContact O-N 2.86Å; L280-H282 VanDerWaalsContact C-N 3.32Å; L280-H282 PolarHBondContact O-N 2.93Å
283	S	94.5	Very high	95.3	Very high	40 Å²	40	60 Å²	60	28%	0.28	28%	0.283	S	S	.	.	H	α-helix	trans	-104	-4.6	-177.8	60.4	0	0	0	0	113.1	Q279 L280 V281 F291	Q279-S283 PolarHBondContact O-N 3.39Å; Q279-S283 PolarHBondContact O-OG 3.45Å; L280-S283 PolarHBondContact O-N 3.34Å; L280-S283 VanDerWaalsContact O-N 3.14Å; L280-S283 PolarHBondContact O-OG 2.99Å; L280-S283 VanDerWaalsContact O-OG 3.1Å; V281-S283 PolarHBondContact O-N 3.11Å; S283-F291 VanDerWaalsContact CB-O 3.27Å; S283-F291 WeakPolarHBondContact CB-O 3.36Å; S283-F291 CarbonylContact O-C 3.59Å; S283-F291 VanDerWaalsContact O-CA 3.22Å; S283-F291 WeakPolarHBondContact O-CA 3.47Å
284	Y	96.9	Very high	94.8	Very high	43 Å²	43	62.7 Å²	62.7	17%	0.169	31%	0.305	C	S	.	.			trans	-74.4	136.6	-175.3	-179.9	-109	0	0	0	112.7	L280 V281 E286 G290 F291 M325 H328	L280-Y284 WeakPolarHBondContact O-CB 3.49Å; L280-Y284 PolarHBondContact O-N 3.04Å; V281-Y284 PolarHBondContact O-N 2.78Å; Y284-E286 HydrophobicContact CD1-CG 4.26Å; Y284-E286 HydrophobicContact CE1-CG 4.16Å; Y284-G290 WeakPolarHBondContact CA-O 3.28Å; Y284-G290 VanDerWaalsContact CD2-O 3.26Å; Y284-G290 WeakPolarHBondContact CD2-O 3.24Å; Y284-F291 HydrophobicContact CD2-CD1 4.28Å; Y284-F291 AromaticContact CD2-CE1 3.95Å; Y284-F291 HydrophobicContact CD2-CE1 3.95Å; Y284-F291 HydrophobicContact CD2-CZ 4.43Å; Y284-M325 HydrophobicContact CD1-CE 4.1Å; Y284-M325 HydrophobicContact CD1-CG 4.04Å; Y284-M325 HydrophobicContact CD2-CB 4.12Å; Y284-M325 HydrophobicContact CD2-CE 3.71Å; Y284-M325 HydrophobicContact CD2-CG 4.06Å; Y284-M325 HydrophobicContact CE1-CG 3.95Å; Y284-M325 HydrophobicContact CE2-CB 3.81Å; Y284-M325 HydrophobicContact CE2-CG 3.97Å; Y284-M325 HydrophobicContact CG-CE 3.46Å; Y284-M325 VanDerWaalsContact CG-CE 3.46Å; Y284-M325 HydrophobicContact CG-CG 4.09Å; Y284-H328 AromaticContact CZ-ND1 3.97Å; Y284-H328 PolarHBondContact OH-ND1 2.84Å
285	E	94.7	Very high	94.4	Very high	34 Å²	34	62.6 Å²	62.6	16%	0.159	31%	0.308	C	S	.	.			trans	-104.7	113.3	-180	-167.5	-76.8	117	0	0	109.2	E287 Y288 G289 G290 K296	E285-E287 VanDerWaalsContact OE1-CA 3.29Å; E285-E287 WeakPolarHBondContact OE1-CA 3.18Å; E285-E287 WeakPolarHBondContact OE1-CB 3.29Å; E285-E287 PolarHBondContact OE1-N 3.1Å; E285-Y288 PolarHBondContact OE1-N 3.29Å; E285-Y288 WeakPolarHBondContact OE2-CA 3.48Å; E285-Y288 VanDerWaalsContact OE2-CB 3.29Å; E285-Y288 WeakPolarHBondContact OE2-CB 3.4Å; E285-Y288 PolarHBondContact OE2-N 2.98Å; E285-G289 WeakPolarHBondContact O-CA 3.45Å; E285-G289 PolarHBondContact O-N 2.65Å; E285-G289 PolarHBondContact OE2-N 3.5Å; E285-G290 PolarHBondContact N-O 3.27Å; E285-K296 IonicContact OE2-NZ 3.78Å; E285-K296 PolarHBondContact OE2-NZ 3.37Å
286	E	93.6	Very high	94.1	Very high	143 Å²	143	56.9 Å²	56.9	67%	0.668	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-30.1	-169	-70.8	-170.2	179.8	0	0	114.8	Y284 H328	Y284-E286 HydrophobicContact CD1-CG 4.26Å; Y284-E286 HydrophobicContact CE1-CG 4.16Å; E286-H328 PolarHBondContact O-CE1 2.93Å
287	E	94.7	Very high	93.9	Very high	127 Å²	127	60.9 Å²	60.9	59%	0.593	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-44.9	-171.9	-166.1	179.7	156	0	0	111.8	E285	E285-E287 VanDerWaalsContact OE1-CA 3.29Å; E285-E287 WeakPolarHBondContact OE1-CA 3.18Å; E285-E287 WeakPolarHBondContact OE1-CB 3.29Å; E285-E287 PolarHBondContact OE1-N 3.1Å
288	Y	95	Very high	93.6	Very high	53 Å²	53	61 Å²	61	21%	0.208	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	2.7	-178.2	-56.4	-83.9	0	0	0	113.7	E285 M332 S353 W355	E285-Y288 PolarHBondContact OE1-N 3.29Å; E285-Y288 WeakPolarHBondContact OE2-CA 3.48Å; E285-Y288 VanDerWaalsContact OE2-CB 3.29Å; E285-Y288 WeakPolarHBondContact OE2-CB 3.4Å; E285-Y288 PolarHBondContact OE2-N 2.98Å; Y288-M332 HydrophobicContact CD1-CE 3.58Å; Y288-M332 HydrophobicContact CE1-CE 4.35Å; Y288-M332 HydrophobicContact CG-CE 4.39Å; Y288-M332 WeakPolarHBondContact O-CB 3.43Å; Y288-M332 VanDerWaalsContact O-CG 3.29Å; Y288-M332 WeakPolarHBondContact O-CG 3.45Å; Y288-S353 WeakPolarHBondContact CB-O 3.39Å; Y288-W355 VanDerWaalsContact O-CD1 3.3Å; Y288-W355 PolarHBondContact O-NE1 3.03Å
289	G	96.2	Very high	93.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.301	C	S	.	.			trans	69.5	174.5	-176.8	0	0	0	0	0	113	E285 K296 W355	E285-G289 WeakPolarHBondContact O-CA 3.45Å; E285-G289 PolarHBondContact O-N 2.65Å; E285-G289 PolarHBondContact OE2-N 3.5Å; G289-K296 PolarHBondContact O-NZ 3Å; G289-W355 PolarHBondContact O-NE1 3.22Å
290	G	94.9	Very high	93.4	Very high	2 Å²	2	57 Å²	57	2%	0.021	29%	0.291	C	S	.	.	S	Bend	trans	92.1	175.7	-171.5	0	0	0	0	0	113.1	Y284 E285 T329	Y284-G290 WeakPolarHBondContact CA-O 3.28Å; Y284-G290 VanDerWaalsContact CD2-O 3.26Å; Y284-G290 WeakPolarHBondContact CD2-O 3.24Å; E285-G290 PolarHBondContact N-O 3.27Å; G290-T329 PolarHBondContact N-OG1 3.06Å
291	F	93.3	Very high	93.4	Very high	19 Å²	19	57.4 Å²	57.4	8%	0.083	29%	0.293	C	S	.	.	S	Bend	trans	-124.1	15	-164	-54.8	-82.1	0	0	0	114.1	L280 S283 Y284 N302 L303 L306 M325	L280-F291 HydrophobicContact CB-CD1 4.05Å; L280-F291 HydrophobicContact CB-CE1 3.98Å; L280-F291 HydrophobicContact CD2-CB 4.38Å; L280-F291 HydrophobicContact CD2-CD1 3.43Å; L280-F291 VanDerWaalsContact CD2-CD1 3.43Å; L280-F291 HydrophobicContact CD2-CD2 4.37Å; L280-F291 HydrophobicContact CD2-CE1 3.72Å; L280-F291 HydrophobicContact CD2-CG 3.79Å; L280-F291 HydrophobicContact CD2-CZ 4.35Å; L280-F291 HydrophobicContact CG-CD1 4.34Å; L280-F291 HydrophobicContact CG-CE1 4.37Å; S283-F291 VanDerWaalsContact CB-O 3.27Å; S283-F291 WeakPolarHBondContact CB-O 3.36Å; S283-F291 CarbonylContact O-C 3.59Å; S283-F291 VanDerWaalsContact O-CA 3.22Å; S283-F291 WeakPolarHBondContact O-CA 3.47Å; Y284-F291 HydrophobicContact CD2-CD1 4.28Å; Y284-F291 AromaticContact CD2-CE1 3.95Å; Y284-F291 HydrophobicContact CD2-CE1 3.95Å; Y284-F291 HydrophobicContact CD2-CZ 4.43Å; F291-N302 HydrophobicContact CD2-CB 4.07Å; F291-N302 HydrophobicContact CE2-CB 3.83Å; F291-N302 HydrophobicContact CZ-CB 4.37Å; F291-L303 HydrophobicContact CE2-CD2 3.83Å; F291-L303 HydrophobicContact CZ-CD2 4.24Å; F291-L306 HydrophobicContact CE1-CD1 3.87Å; F291-L306 HydrophobicContact CE2-CD1 4.5Å; F291-L306 HydrophobicContact CZ-CD1 3.42Å; F291-L306 VanDerWaalsContact CZ-CD1 3.42Å; F291-M325 HydrophobicContact CD1-CE 4.46Å; F291-M325 HydrophobicContact CE1-CE 3.72Å
292	K	84.1	Confident	93.4	Very high	158 Å²	158	56.2 Å²	56.2	69%	0.687	29%	0.285	S	S	*	.	S	Bend	trans	-155	162.7	175	-67.3	-168.4	178.7	174.7	0	108.7	K296	K292-K296 WeakPolarHBondContact O-CE 3.47Å; K292-K296 WeakPolarHBondContact O-CG 3.49Å
293	D	83.6	Confident	93.5	Very high	122 Å²	122	48.4 Å²	48.4	65%	0.652	25%	0.249	S	C	*	.	S	Bend	trans	-71.6	-155	165.8	-66.4	-41.3	0	0	0	110.8	P295 K296	D293-P295 CarbonylContact O-C 3.05Å; D293-P295 VanDerWaalsContact O-C 3.28Å; D293-K296 WeakPolarHBondContact O-CG 3.36Å
294	A	87.1	Confident	93.7	Very high	59 Å²	59	46.9 Å²	46.9	49%	0.488	24%	0.238	S	C	.	.	S	Bend	trans	-74.1	138.9	175	0	0	0	0	0	112.5	T351	A294-T351 WeakPolarHBondContact CB-O 3.48Å
295	P	90.3	Very high	93.7	Very high	66 Å²	66	44.9 Å²	44.9	43%	0.429	23%	0.23	S	C	.	.	S	Bend	cis	-75.2	146.4	-9.1	31.1	-34.5	0	0	0	112.8	D293 F297 Y349 S350	D293-P295 CarbonylContact O-C 3.05Å; D293-P295 VanDerWaalsContact O-C 3.28Å; P295-F297 HydrophobicContact CB-CE2 4.47Å; P295-F297 HydrophobicContact CG-CE2 4.29Å; P295-Y349 HydrophobicContact CB-CD2 3.88Å; P295-Y349 HydrophobicContact CB-CE2 3.98Å; P295-S350 CarbonylContact C-O 3.5Å; P295-S350 VanDerWaalsContact CA-O 3.27Å; P295-S350 WeakPolarHBondContact CA-O 3.41Å; P295-S350 WeakPolarHBondContact CB-O 3.29Å
296	K	92.3	Very high	93.9	Very high	3 Å²	3	43.2 Å²	43.2	1%	0.013	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-101.4	123.6	179.6	-76.6	-167.2	173.1	178.7	0	112.3	E285 G289 K292 D293 Y349 S350 S353 W355	E285-K296 IonicContact OE2-NZ 3.78Å; E285-K296 PolarHBondContact OE2-NZ 3.37Å; G289-K296 PolarHBondContact O-NZ 3Å; K292-K296 WeakPolarHBondContact O-CE 3.47Å; K292-K296 WeakPolarHBondContact O-CG 3.49Å; D293-K296 WeakPolarHBondContact O-CG 3.36Å; K296-Y349 WeakPolarHBondContact O-CA 3.39Å; K296-Y349 WeakPolarHBondContact O-CB 3.36Å; K296-S350 PolarHBondContact N-O 2.92Å; K296-S350 PolarHBondContact O-N 3.25Å; K296-S353 WeakPolarHBondContact CD-O 3.27Å; K296-S353 WeakPolarHBondContact CE-O 3.49Å; K296-S353 PolarHBondContact NZ-O 3.02Å; K296-W355 HydrophobicContact CB-CD2 4.35Å; K296-W355 HydrophobicContact CB-CE3 3.94Å; K296-W355 HydrophobicContact CB-CH2 3.81Å; K296-W355 HydrophobicContact CB-CZ2 4.19Å; K296-W355 HydrophobicContact CB-CZ3 3.66Å; K296-W355 HydrophobicContact CD-CD2 4.13Å; K296-W355 HydrophobicContact CD-CH2 4.28Å; K296-W355 HydrophobicContact CD-CZ2 3.78Å
297	F	93.4	Very high	94.2	Very high	83 Å²	83	36.4 Å²	36.4	36%	0.364	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-102.3	144.7	172.8	-73.9	-97.7	0	0	0	110.8	P295 S299 Y349 W355	P295-F297 HydrophobicContact CB-CE2 4.47Å; P295-F297 HydrophobicContact CG-CE2 4.29Å; F297-S299 VanDerWaalsContact C-N 3.3Å; F297-S299 PolarHBondContact O-N 2.87Å; F297-Y349 HydrophobicContact CD1-CD1 4.34Å; F297-Y349 HydrophobicContact CD1-CG 4.08Å; F297-Y349 AromaticContact CE1-CD1 3.54Å; F297-Y349 HydrophobicContact CE1-CD1 3.54Å; F297-Y349 HydrophobicContact CE1-CD2 4.26Å; F297-Y349 HydrophobicContact CE1-CE1 4.19Å; F297-Y349 AromaticContact CE1-CG 3.57Å; F297-Y349 HydrophobicContact CE1-CG 3.57Å; F297-Y349 AromaticContact CE2-CD2 3.96Å; F297-Y349 HydrophobicContact CE2-CD2 3.96Å; F297-Y349 HydrophobicContact CE2-CE2 4.4Å; F297-Y349 HydrophobicContact CE2-CG 4.07Å; F297-Y349 AromaticContact CZ-CD1 3.71Å; F297-Y349 HydrophobicContact CZ-CD1 3.71Å; F297-Y349 AromaticContact CZ-CD2 3.77Å; F297-Y349 HydrophobicContact CZ-CD2 3.77Å; F297-Y349 HydrophobicContact CZ-CE1 4.04Å; F297-Y349 HydrophobicContact CZ-CE2 4.06Å; F297-Y349 AromaticContact CZ-CG 3.55Å; F297-Y349 HydrophobicContact CZ-CG 3.55Å; F297-W355 WeakPolarHBondContact O-CH2 3.27Å
298	P	94.3	Very high	94.3	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.026	16%	0.162	C	C	.	.			trans	-59.8	-34.2	179.8	-27.1	35	0	0	0	115.1	M333 I338 R348 L370	P298-M333 HydrophobicContact CB-CE 4.44Å; P298-M333 HydrophobicContact CB-SD 3.62Å; P298-M333 HydrophobicContact CG-SD 4.15Å; P298-I338 HydrophobicContact CG-CD1 3.91Å; P298-R348 WeakPolarHBondContact CD-O 3.47Å; P298-L370 HydrophobicContact CB-CD1 4.36Å; P298-L370 HydrophobicContact CB-CD2 4.04Å; P298-L370 HydrophobicContact CG-CD1 4.45Å
299	S	93	Very high	94.5	Very high	35 Å²	35	28.3 Å²	28.3	25%	0.245	15%	0.154	C	C	.	.			trans	37.4	63.7	-179.8	-63.7	0	0	0	0	114.7	F297 V301 N302	F297-S299 VanDerWaalsContact C-N 3.3Å; F297-S299 PolarHBondContact O-N 2.87Å; S299-V301 PolarHBondContact O-N 3.39Å; S299-N302 WeakPolarHBondContact O-CB 2.86Å; S299-N302 PolarHBondContact O-N 3.22Å
300	P	97.4	Very high	94.6	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.026	16%	0.164	C	C	.	.	H	α-helix	trans	-57.6	-27.3	-173	-27.7	38.7	0	0	0	114.8	N302 L303 M304 Q369 L370 A373	P300-N302 VanDerWaalsContact C-N 3.25Å; P300-N302 PolarHBondContact O-N 3.47Å; P300-L303 WeakPolarHBondContact O-CB 3.45Å; P300-L303 PolarHBondContact O-N 2.88Å; P300-M304 WeakPolarHBondContact O-CG 3.43Å; P300-M304 PolarHBondContact O-N 3.48Å; P300-Q369 HydrophobicContact CB-CB 3.84Å; P300-Q369 HydrophobicContact CG-CB 3.69Å; P300-L370 HydrophobicContact CG-CD2 4Å; P300-L370 HydrophobicContact CG-CG 4.13Å; P300-A373 HydrophobicContact CB-CB 4.35Å
301	V	97.6	Very high	94.6	Very high	7 Å²	7	31.3 Å²	31.3	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-54.6	-37.8	174.1	-66.1	0	0	0	0	113	S299 F305 D668 P672 P717 E718	S299-V301 PolarHBondContact O-N 3.39Å; V301-F305 WeakPolarHBondContact O-CB 3.25Å; V301-F305 PolarHBondContact O-N 2.99Å; V301-D668 HydrophobicContact CB-CB 4.43Å; V301-D668 HydrophobicContact CG1-CB 4.33Å; V301-D668 HydrophobicContact CG2-CB 3.99Å; V301-P672 HydrophobicContact CG1-CB 3.97Å; V301-P717 HydrophobicContact CB-CB 4.43Å; V301-P717 HydrophobicContact CG2-CG 4.27Å; V301-E718 HydrophobicContact CG1-CB 4.25Å
302	N	97.9	Very high	94.7	Very high	15 Å²	15	32 Å²	32	8%	0.08	17%	0.172	C	C	.	.	H	α-helix	trans	-65.7	-43.6	175.9	-71.7	-23.3	0	0	0	110.9	L280 F291 S299 P300 F305 L306 P717	L280-N302 HydrophobicContact CD2-CB 4.04Å; F291-N302 HydrophobicContact CD2-CB 4.07Å; F291-N302 HydrophobicContact CE2-CB 3.83Å; F291-N302 HydrophobicContact CZ-CB 4.37Å; S299-N302 WeakPolarHBondContact O-CB 2.86Å; S299-N302 PolarHBondContact O-N 3.22Å; P300-N302 VanDerWaalsContact C-N 3.25Å; P300-N302 PolarHBondContact O-N 3.47Å; N302-F305 PolarHBondContact O-N 3.42Å; N302-L306 VanDerWaalsContact O-CG 3.3Å; N302-L306 WeakPolarHBondContact O-CG 3.14Å; N302-L306 PolarHBondContact O-N 2.99Å; N302-P717 WeakPolarHBondContact OD1-CG 3.45Å
303	L	98.3	Very high	95.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.8	-42.4	-177.8	-52.4	174.7	0	0	0	110.7	F291 P300 L306 M307 A326 T329 L330 M333	F291-L303 HydrophobicContact CE2-CD2 3.83Å; F291-L303 HydrophobicContact CZ-CD2 4.24Å; P300-L303 WeakPolarHBondContact O-CB 3.45Å; P300-L303 PolarHBondContact O-N 2.88Å; L303-L306 PolarHBondContact O-N 2.92Å; L303-M307 PolarHBondContact O-N 3.4Å; L303-A326 HydrophobicContact CD2-CB 4.49Å; L303-T329 HydrophobicContact CD2-CG2 3.89Å; L303-L330 HydrophobicContact CD1-CD2 3.64Å; L303-L330 HydrophobicContact CD1-CG 3.92Å; L303-M333 HydrophobicContact CD1-CE 3.78Å
304	M	98.5	Very high	95.6	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.039	13%	0.131	C	C	.	.	H	α-helix	trans	-64.4	-39.8	174.3	-69.4	-57.3	-56.8	0	0	111.9	P300 M307 S308 V372 A373 R721 F755	P300-M304 WeakPolarHBondContact O-CG 3.43Å; P300-M304 PolarHBondContact O-N 3.48Å; M304-M307 HydrophobicContact CE-CE 4.49Å; M304-M307 HydrophobicContact SD-CE 3.5Å; M304-M307 VanDerWaalsContact SD-CE 3.5Å; M304-S308 WeakPolarHBondContact O-CB 3.32Å; M304-S308 PolarHBondContact O-N 3.17Å; M304-S308 PolarHBondContact O-OG 2.83Å; M304-V372 HydrophobicContact CE-CG1 4.46Å; M304-V372 HydrophobicContact SD-CG1 4.34Å; M304-A373 HydrophobicContact SD-CB 4.25Å; M304-R721 PolarHBondContact O-NE 2.82Å; M304-F755 HydrophobicContact CE-CE2 4.29Å
305	F	98.7	Very high	95.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.5	-47.8	173.7	163.6	-95.9	0	0	0	111.3	A273 C276 F277 L280 V301 N302 M307 S308 Y309 P717 V720 R721 M724	A273-F305 HydrophobicContact CB-CE2 4.3Å; A273-F305 WeakPolarHBondContact O-CZ 3.17Å; C276-F305 HydrophobicContact CB-CE1 3.91Å; C276-F305 HydrophobicContact CB-CE2 4.01Å; C276-F305 HydrophobicContact CB-CZ 3.54Å; F277-F305 HydrophobicContact CB-CE1 4.27Å; F277-F305 HydrophobicContact CB-CZ 4.34Å; L280-F305 HydrophobicContact CD1-CD1 3.44Å; L280-F305 VanDerWaalsContact CD1-CD1 3.44Å; L280-F305 HydrophobicContact CD1-CE1 3.68Å; V301-F305 WeakPolarHBondContact O-CB 3.25Å; V301-F305 PolarHBondContact O-N 2.99Å; N302-F305 PolarHBondContact O-N 3.42Å; F305-M307 VanDerWaalsContact C-N 3.35Å; F305-M307 PolarHBondContact O-N 3.29Å; F305-S308 CarbonylContact O-C 3.5Å; F305-S308 WeakPolarHBondContact O-CB 3.22Å; F305-S308 PolarHBondContact O-N 2.58Å; F305-S308 VanDerWaalsContact O-N 3.13Å; F305-Y309 HydrophobicContact CE2-CD2 4.46Å; F305-Y309 AromaticContact CZ-CD2 3.93Å; F305-Y309 HydrophobicContact CZ-CD2 3.93Å; F305-Y309 HydrophobicContact CZ-CG 4.26Å; F305-Y309 WeakPolarHBondContact O-CB 3.31Å; F305-Y309 PolarHBondContact O-N 3.04Å; F305-P717 HydrophobicContact CB-CB 3.74Å; F305-P717 HydrophobicContact CG-CB 4.2Å; F305-V720 HydrophobicContact CD2-CB 4.14Å; F305-V720 HydrophobicContact CD2-CG1 3.85Å; F305-V720 HydrophobicContact CE2-CB 4.22Å; F305-V720 HydrophobicContact CE2-CG1 3.46Å; F305-V720 VanDerWaalsContact CE2-CG1 3.46Å; F305-V720 HydrophobicContact CZ-CG1 4.47Å; F305-R721 HydrophobicContact CB-CG 4.09Å; F305-R721 HydrophobicContact CD2-CG 4.24Å; F305-M724 HydrophobicContact CD2-SD 4.38Å; F305-M724 HydrophobicContact CE2-SD 4.03Å
306	L	98.8	Very high	96.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-40.2	179.9	-72.1	170.8	0	0	0	112.7	F277 L280 F291 N302 L303 Y309 W310 A322 M325 A326	F277-L306 HydrophobicContact CD2-CD2 3.91Å; F277-L306 HydrophobicContact CE2-CD2 4.44Å; L280-L306 HydrophobicContact CD1-CD2 3.98Å; L280-L306 HydrophobicContact CD1-CG 4.11Å; F291-L306 HydrophobicContact CE1-CD1 3.87Å; F291-L306 HydrophobicContact CE2-CD1 4.5Å; F291-L306 HydrophobicContact CZ-CD1 3.42Å; F291-L306 VanDerWaalsContact CZ-CD1 3.42Å; N302-L306 VanDerWaalsContact O-CG 3.3Å; N302-L306 WeakPolarHBondContact O-CG 3.14Å; N302-L306 PolarHBondContact O-N 2.99Å; L303-L306 PolarHBondContact O-N 2.92Å; L306-Y309 PolarHBondContact O-N 2.86Å; L306-W310 WeakPolarHBondContact O-CB 3.4Å; L306-W310 PolarHBondContact O-N 3.2Å; L306-A322 HydrophobicContact CB-CB 4.3Å; L306-A322 HydrophobicContact CD2-CB 3.78Å; L306-M325 HydrophobicContact CD1-CB 4.01Å; L306-A326 HydrophobicContact CB-CB 4.03Å; L306-A326 HydrophobicContact CD1-CB 4.34Å
307	M	98.6	Very high	96.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.8	-40.1	173.6	-71.4	-175	-73.3	0	0	111.8	L303 M304 F305 W310 S311 L323 A326 A377 V380 F755	L303-M307 PolarHBondContact O-N 3.4Å; M304-M307 HydrophobicContact CE-CE 4.49Å; M304-M307 HydrophobicContact SD-CE 3.5Å; M304-M307 VanDerWaalsContact SD-CE 3.5Å; F305-M307 VanDerWaalsContact C-N 3.35Å; F305-M307 PolarHBondContact O-N 3.29Å; M307-W310 PolarHBondContact O-N 3.44Å; M307-S311 PolarHBondContact O-N 2.94Å; M307-L323 HydrophobicContact CG-CD1 4.34Å; M307-A326 HydrophobicContact CG-CB 4.13Å; M307-A377 HydrophobicContact SD-CB 4.4Å; M307-V380 HydrophobicContact SD-CG1 4.38Å; M307-V380 HydrophobicContact SD-CG2 4Å; M307-F755 HydrophobicContact CB-CE1 3.88Å; M307-F755 HydrophobicContact CB-CE2 4.43Å; M307-F755 HydrophobicContact CB-CZ 3.71Å; M307-F755 WeakPolarHBondContact O-CE1 3.36Å
308	S	98.1	Very high	96.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-40.3	172.7	-69.6	0	0	0	0	112.3	M304 F305 S311 R721 P757	M304-S308 WeakPolarHBondContact O-CB 3.32Å; M304-S308 PolarHBondContact O-N 3.17Å; M304-S308 PolarHBondContact O-OG 2.83Å; F305-S308 CarbonylContact O-C 3.5Å; F305-S308 WeakPolarHBondContact O-CB 3.22Å; F305-S308 PolarHBondContact O-N 2.58Å; F305-S308 VanDerWaalsContact O-N 3.13Å; S308-S311 PolarHBondContact O-N 3.47Å; S308-S311 PolarHBondContact O-OG 3.35Å; S308-R721 PolarHBondContact OG-NE 2.8Å; S308-R721 VanDerWaalsContact OG-NE 3.08Å; S308-P757 WeakPolarHBondContact OG-CB 3.38Å
309	Y	98.4	Very high	96.7	Very high	10 Å²	10	26.7 Å²	26.7	4%	0.039	16%	0.16	C	C	.	.	H	α-helix	trans	-62.4	-46.3	176	-173.9	-94.5	0	0	0	111.5	A273 N274 F277 F305 L306 S311 V312 N313 E318 A322	A273-Y309 HydrophobicContact CB-CD2 4.04Å; A273-Y309 HydrophobicContact CB-CE2 4.16Å; N274-Y309 PolarHBondContact OD1-OH 2.87Å; F277-Y309 HydrophobicContact CB-CD1 4.33Å; F277-Y309 HydrophobicContact CB-CD2 4.24Å; F277-Y309 HydrophobicContact CB-CE1 4.06Å; F277-Y309 HydrophobicContact CB-CE2 3.97Å; F277-Y309 HydrophobicContact CB-CG 4.41Å; F277-Y309 AromaticContact CD1-CE1 3.96Å; F277-Y309 HydrophobicContact CD1-CE1 3.96Å; F277-Y309 HydrophobicContact CD2-CD1 4.06Å; F277-Y309 AromaticContact CD2-CE1 3.97Å; F277-Y309 HydrophobicContact CD2-CE1 3.97Å; F277-Y309 HydrophobicContact CE1-CE1 4.45Å; F277-Y309 HydrophobicContact CE2-CE1 4.46Å; F277-Y309 HydrophobicContact CG-CD1 4.14Å; F277-Y309 AromaticContact CG-CE1 3.7Å; F277-Y309 HydrophobicContact CG-CE1 3.7Å; F277-Y309 HydrophobicContact CG-CE2 4.49Å; F277-Y309 AromaticContact CG-CZ 3.9Å; F305-Y309 HydrophobicContact CE2-CD2 4.46Å; F305-Y309 AromaticContact CZ-CD2 3.93Å; F305-Y309 HydrophobicContact CZ-CD2 3.93Å; F305-Y309 HydrophobicContact CZ-CG 4.26Å; F305-Y309 WeakPolarHBondContact O-CB 3.31Å; F305-Y309 PolarHBondContact O-N 3.04Å; L306-Y309 PolarHBondContact O-N 2.86Å; Y309-S311 VanDerWaalsContact C-N 3.28Å; Y309-S311 PolarHBondContact O-N 2.89Å; Y309-V312 PolarHBondContact O-N 3.13Å; Y309-N313 HydrophobicContact CE1-CB 4.33Å; Y309-N313 WeakPolarHBondContact O-CB 3.44Å; Y309-N313 PolarHBondContact O-N 3.03Å; Y309-N313 PolarHBondContact O-ND2 3.02Å; Y309-E318 HydrophobicContact CE1-CB 4.17Å; Y309-A322 HydrophobicContact CD1-CB 3.8Å
310	W	98	Very high	96.9	Very high	54 Å²	54	28.9 Å²	28.9	21%	0.205	17%	0.172	C	C	.	.	H	α-helix	trans	-56	-43	171.6	165.5	78.6	0	0	0	111.7	L306 M307 V312 N313 C314 G319 L323 V380 F755	L306-W310 WeakPolarHBondContact O-CB 3.4Å; L306-W310 PolarHBondContact O-N 3.2Å; M307-W310 PolarHBondContact O-N 3.44Å; W310-V312 PolarHBondContact O-N 3.32Å; W310-V312 VanDerWaalsContact O-N 3.07Å; W310-N313 CarbonylContact O-C 3.31Å; W310-N313 PolarHBondContact O-N 3.25Å; W310-C314 HydrophobicContact CZ2-CB 4.44Å; W310-C314 VanDerWaalsContact O-CA 3.31Å; W310-C314 WeakPolarHBondContact O-CA 3.38Å; W310-C314 WeakPolarHBondContact O-CB 3.22Å; W310-C314 PolarHBondContact O-N 3.11Å; W310-G319 VanDerWaalsContact CD1-O 3.25Å; W310-L323 HydrophobicContact CB-CB 4.02Å; W310-L323 HydrophobicContact CD2-CB 4.41Å; W310-L323 HydrophobicContact CD2-CD1 4.35Å; W310-L323 HydrophobicContact CD2-CD2 4.03Å; W310-L323 HydrophobicContact CD2-CG 4.5Å; W310-L323 HydrophobicContact CG-CB 3.74Å; W310-L323 HydrophobicContact CG-CD1 4.43Å; W310-L323 HydrophobicContact CG-CD2 4.16Å; W310-L323 HydrophobicContact CG-CG 4.32Å; W310-L323 HydrophobicContact CZ2-CD2 4.15Å; W310-V380 HydrophobicContact CE3-CG1 3.99Å; W310-V380 HydrophobicContact CH2-CB 4.28Å; W310-V380 HydrophobicContact CH2-CG1 4.27Å; W310-V380 HydrophobicContact CZ3-CB 4Å; W310-V380 HydrophobicContact CZ3-CG1 3.54Å; W310-F755 HydrophobicContact CE3-CD1 4.45Å; W310-F755 HydrophobicContact CZ3-CD1 4.14Å
311	S	95.3	Very high	97	Very high	11 Å²	11	32.8 Å²	32.8	8%	0.077	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-23.6	-174.4	76.1	0	0	0	0	114.3	M307 S308 Y309 P757 T817	M307-S311 PolarHBondContact O-N 2.94Å; S308-S311 PolarHBondContact O-N 3.47Å; S308-S311 PolarHBondContact O-OG 3.35Å; Y309-S311 VanDerWaalsContact C-N 3.28Å; Y309-S311 PolarHBondContact O-N 2.89Å; S311-P757 VanDerWaalsContact OG-CG 3.29Å; S311-P757 WeakPolarHBondContact OG-CG 3.29Å; S311-T817 WeakPolarHBondContact O-CG2 3.16Å
312	V	94.4	Very high	97.1	Very high	34 Å²	34	32.4 Å²	32.4	21%	0.206	19%	0.187	C	C	.	.	H	α-helix	trans	-108.1	-0.7	176.2	-62	0	0	0	0	113.2	Y309 W310 M724 Y728 F758	Y309-V312 PolarHBondContact O-N 3.13Å; W310-V312 PolarHBondContact O-N 3.32Å; W310-V312 VanDerWaalsContact O-N 3.07Å; V312-M724 HydrophobicContact CG2-CE 3.58Å; V312-Y728 HydrophobicContact CB-CE1 4.34Å; V312-Y728 HydrophobicContact CB-CE2 4.07Å; V312-Y728 HydrophobicContact CG1-CD1 4.36Å; V312-Y728 HydrophobicContact CG1-CD2 3.88Å; V312-Y728 HydrophobicContact CG1-CE1 4.38Å; V312-Y728 HydrophobicContact CG1-CE2 3.93Å; V312-Y728 HydrophobicContact CG1-CG 4.12Å; V312-Y728 HydrophobicContact CG2-CE2 3.77Å; V312-F758 HydrophobicContact CG1-CD2 4.27Å; V312-F758 HydrophobicContact CG1-CE2 3.73Å
313	N	95.4	Very high	97.1	Very high	38 Å²	38	33 Å²	33	20%	0.203	19%	0.19	C	C	.	.	S	Bend	trans	-128.9	24.2	179.8	-67.6	-77.4	0	0	0	111.8	Y309 W310 S315 T316 G319	Y309-N313 HydrophobicContact CE1-CB 4.33Å; Y309-N313 WeakPolarHBondContact O-CB 3.44Å; Y309-N313 PolarHBondContact O-N 3.03Å; Y309-N313 PolarHBondContact O-ND2 3.02Å; W310-N313 CarbonylContact O-C 3.31Å; W310-N313 PolarHBondContact O-N 3.25Å; N313-S315 PolarHBondContact O-N 3.4Å; N313-T316 HydrophobicContact CB-CG2 4.5Å; N313-T316 PolarHBondContact O-N 3.21Å; N313-T316 PolarHBondContact O-OG1 3.39Å; N313-T316 VanDerWaalsContact O-OG1 3.06Å; N313-G319 WeakPolarHBondContact O-CA 3.47Å
314	C	91.7	Very high	97.1	Very high	41 Å²	41	38.6 Å²	38.6	28%	0.277	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.1	-167.5	60.7	0	0	0	0	114	W310	W310-C314 HydrophobicContact CZ2-CB 4.44Å; W310-C314 VanDerWaalsContact O-CA 3.31Å; W310-C314 WeakPolarHBondContact O-CA 3.38Å; W310-C314 WeakPolarHBondContact O-CB 3.22Å; W310-C314 PolarHBondContact O-N 3.11Å
315	S	92.2	Very high	97.1	Very high	99 Å²	99	38.4 Å²	38.4	69%	0.692	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-5.2	177.5	-56.4	0	0	0	0	113.9	N313	N313-S315 PolarHBondContact O-N 3.4Å
316	T	96.6	Very high	97.1	Very high	45 Å²	45	38.4 Å²	38.4	28%	0.276	22%	0.215	S	C	.	.	S	Bend	trans	-101.6	158.8	-177.9	77	0	0	0	0	111.9	N313 E318 G319 V320	N313-T316 HydrophobicContact CB-CG2 4.5Å; N313-T316 PolarHBondContact O-N 3.21Å; N313-T316 PolarHBondContact O-OG1 3.39Å; N313-T316 VanDerWaalsContact O-OG1 3.06Å; T316-E318 VanDerWaalsContact C-N 3.25Å; T316-E318 PolarHBondContact O-N 3.47Å; T316-G319 PolarHBondContact O-N 2.99Å; T316-G319 PolarHBondContact OG1-N 3.26Å; T316-G319 VanDerWaalsContact OG1-N 3.08Å; T316-V320 WeakPolarHBondContact O-CG2 3.42Å; T316-V320 PolarHBondContact O-N 3.23Å
317	S	97	Very high	97.1	Very high	87 Å²	87	39.4 Å²	39.4	61%	0.608	22%	0.221	S	C	*	.	H	α-helix	trans	-58.9	-39.8	173	29.7	0	0	0	0	112.3	V320 E321	S317-V320 PolarHBondContact O-N 3.09Å; S317-E321 WeakPolarHBondContact O-CB 3.32Å; S317-E321 PolarHBondContact O-N 3.44Å
318	E	97.7	Very high	97.1	Very high	72 Å²	72	41.2 Å²	41.2	34%	0.336	23%	0.229	S	C	.	.	H	α-helix	trans	-66.3	-41.7	-178.3	-66.7	85.1	161.5	0	0	110.9	F277 Y309 T316 E321 A322	F277-E318 HydrophobicContact CD1-CB 4.37Å; F277-E318 HydrophobicContact CE1-CB 3.65Å; F277-E318 HydrophobicContact CE1-CG 3.8Å; F277-E318 HydrophobicContact CZ-CB 3.98Å; F277-E318 HydrophobicContact CZ-CG 4.44Å; F277-E318 WeakPolarHBondContact CZ-O 3.49Å; Y309-E318 HydrophobicContact CE1-CB 4.17Å; T316-E318 VanDerWaalsContact C-N 3.25Å; T316-E318 PolarHBondContact O-N 3.47Å; E318-E321 PolarHBondContact O-N 3.03Å; E318-A322 WeakPolarHBondContact O-CB 3.46Å; E318-A322 PolarHBondContact O-N 2.99Å
319	G	97.6	Very high	97.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-44.4	174.6	0	0	0	0	0	112	W310 N313 T316 E321 A322 L323	W310-G319 VanDerWaalsContact CD1-O 3.25Å; N313-G319 WeakPolarHBondContact O-CA 3.47Å; T316-G319 PolarHBondContact O-N 2.99Å; T316-G319 PolarHBondContact OG1-N 3.26Å; T316-G319 VanDerWaalsContact OG1-N 3.08Å; G319-E321 VanDerWaalsContact C-N 3.34Å; G319-E321 PolarHBondContact O-N 2.88Å; G319-A322 PolarHBondContact O-N 3.22Å; G319-L323 PolarHBondContact O-N 3.45Å
320	V	97.8	Very high	97.2	Very high	82 Å²	82	40.8 Å²	40.8	50%	0.497	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-43.1	176.8	174	0	0	0	0	111.3	T316 S317 L323 Q324	T316-V320 WeakPolarHBondContact O-CG2 3.42Å; T316-V320 PolarHBondContact O-N 3.23Å; S317-V320 PolarHBondContact O-N 3.09Å; V320-L323 PolarHBondContact O-N 2.82Å; V320-Q324 WeakPolarHBondContact O-CB 3.47Å; V320-Q324 PolarHBondContact O-N 2.71Å
321	E	98.5	Very high	97.2	Very high	85 Å²	85	41 Å²	41	40%	0.397	23%	0.228	S	C	.	.	H	α-helix	trans	-62.3	-45.8	175.9	-177.6	170.9	-153.4	0	0	111.6	F277 S317 E318 G319 L323 Q324 M325	F277-E321 HydrophobicContact CZ-CB 4.27Å; F277-E321 HydrophobicContact CZ-CG 4.29Å; S317-E321 WeakPolarHBondContact O-CB 3.32Å; S317-E321 PolarHBondContact O-N 3.44Å; E318-E321 PolarHBondContact O-N 3.03Å; G319-E321 VanDerWaalsContact C-N 3.34Å; G319-E321 PolarHBondContact O-N 2.88Å; E321-L323 VanDerWaalsContact C-N 3.34Å; E321-L323 PolarHBondContact O-N 2.85Å; E321-Q324 WeakPolarHBondContact O-CB 3.21Å; E321-Q324 PolarHBondContact O-N 3Å; E321-Q324 VanDerWaalsContact O-N 3.13Å; E321-M325 HydrophobicContact CG-CG 4.44Å; E321-M325 HydrophobicContact CG-SD 4.05Å; E321-M325 VanDerWaalsContact O-CG 3.26Å; E321-M325 WeakPolarHBondContact O-CG 3.47Å; E321-M325 PolarHBondContact O-N 3.04Å
322	A	98.7	Very high	97.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.6	-47	176.9	0	0	0	0	0	112.2	F277 L306 Y309 E318 G319 M325 A326	F277-A322 HydrophobicContact CD2-CB 3.89Å; F277-A322 HydrophobicContact CE2-CB 3.66Å; L306-A322 HydrophobicContact CB-CB 4.3Å; L306-A322 HydrophobicContact CD2-CB 3.78Å; Y309-A322 HydrophobicContact CD1-CB 3.8Å; E318-A322 WeakPolarHBondContact O-CB 3.46Å; E318-A322 PolarHBondContact O-N 2.99Å; G319-A322 PolarHBondContact O-N 3.22Å; A322-M325 PolarHBondContact O-N 2.94Å; A322-A326 PolarHBondContact O-N 3.31Å; A322-A326 VanDerWaalsContact O-N 3.12Å
323	L	98.5	Very high	97.5	Very high	26 Å²	26	40.7 Å²	40.7	14%	0.136	22%	0.224	C	C	.	.	H	α-helix	trans	-63.2	-42.9	176.8	-177.8	63.2	0	0	0	111.5	M307 W310 G319 V320 E321 M325 A326 L327 V380	M307-L323 HydrophobicContact CG-CD1 4.34Å; W310-L323 HydrophobicContact CB-CB 4.02Å; W310-L323 HydrophobicContact CD2-CB 4.41Å; W310-L323 HydrophobicContact CD2-CD1 4.35Å; W310-L323 HydrophobicContact CD2-CD2 4.03Å; W310-L323 HydrophobicContact CD2-CG 4.5Å; W310-L323 HydrophobicContact CG-CB 3.74Å; W310-L323 HydrophobicContact CG-CD1 4.43Å; W310-L323 HydrophobicContact CG-CD2 4.16Å; W310-L323 HydrophobicContact CG-CG 4.32Å; W310-L323 HydrophobicContact CZ2-CD2 4.15Å; G319-L323 PolarHBondContact O-N 3.45Å; V320-L323 PolarHBondContact O-N 2.82Å; E321-L323 VanDerWaalsContact C-N 3.34Å; E321-L323 PolarHBondContact O-N 2.85Å; L323-M325 PolarHBondContact O-N 3.34Å; L323-A326 PolarHBondContact O-N 3.44Å; L323-L327 HydrophobicContact CD1-CD1 3.95Å; L323-L327 HydrophobicContact CD1-CD2 4.43Å; L323-L327 HydrophobicContact CD1-CG 3.93Å; L323-L327 HydrophobicContact CD2-CD1 4.38Å; L323-L327 HydrophobicContact CG-CD1 3.88Å; L323-L327 HydrophobicContact CG-CG 4.2Å; L323-L327 WeakPolarHBondContact O-CB 3.23Å; L323-L327 WeakPolarHBondContact O-CG 3.44Å; L323-L327 PolarHBondContact O-N 2.79Å; L323-V380 HydrophobicContact CD1-CB 4.06Å; L323-V380 HydrophobicContact CD1-CG2 3.69Å
324	Q	98.6	Very high	97.7	Very high	118 Å²	118	39.1 Å²	39.1	55%	0.551	22%	0.216	S	C	*	.	H	α-helix	trans	-60.3	-45.3	178.1	-176.5	-176.8	-23.4	0	0	111.5	V320 E321 A326 H328	V320-Q324 WeakPolarHBondContact O-CB 3.47Å; V320-Q324 PolarHBondContact O-N 2.71Å; E321-Q324 WeakPolarHBondContact O-CB 3.21Å; E321-Q324 PolarHBondContact O-N 3Å; E321-Q324 VanDerWaalsContact O-N 3.13Å; Q324-A326 VanDerWaalsContact C-N 3.33Å; Q324-A326 PolarHBondContact O-N 2.9Å; Q324-H328 WeakPolarHBondContact O-CB 3.26Å; Q324-H328 PolarHBondContact O-N 3.32Å
325	M	98.7	Very high	98	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.02	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-43.6	177.8	-66.1	162.5	80.1	0	0	111.5	F277 L280 V281 Y284 F291 L306 E321 A322 L323 T329	F277-M325 HydrophobicContact CE2-SD 4.22Å; L280-M325 HydrophobicContact CB-CE 4.46Å; V281-M325 HydrophobicContact CG2-CE 4.13Å; V281-M325 HydrophobicContact CG2-SD 4.02Å; Y284-M325 HydrophobicContact CD1-CE 4.1Å; Y284-M325 HydrophobicContact CD1-CG 4.04Å; Y284-M325 HydrophobicContact CD2-CB 4.12Å; Y284-M325 HydrophobicContact CD2-CE 3.71Å; Y284-M325 HydrophobicContact CD2-CG 4.06Å; Y284-M325 HydrophobicContact CE1-CG 3.95Å; Y284-M325 HydrophobicContact CE2-CB 3.81Å; Y284-M325 HydrophobicContact CE2-CG 3.97Å; Y284-M325 HydrophobicContact CG-CE 3.46Å; Y284-M325 VanDerWaalsContact CG-CE 3.46Å; Y284-M325 HydrophobicContact CG-CG 4.09Å; F291-M325 HydrophobicContact CD1-CE 4.46Å; F291-M325 HydrophobicContact CE1-CE 3.72Å; L306-M325 HydrophobicContact CD1-CB 4.01Å; E321-M325 HydrophobicContact CG-CG 4.44Å; E321-M325 HydrophobicContact CG-SD 4.05Å; E321-M325 VanDerWaalsContact O-CG 3.26Å; E321-M325 WeakPolarHBondContact O-CG 3.47Å; E321-M325 PolarHBondContact O-N 3.04Å; A322-M325 PolarHBondContact O-N 2.94Å; L323-M325 PolarHBondContact O-N 3.34Å; M325-T329 VanDerWaalsContact O-CB 3.29Å; M325-T329 WeakPolarHBondContact O-CB 3.47Å; M325-T329 PolarHBondContact O-N 3.04Å; M325-T329 PolarHBondContact O-OG1 3.07Å
326	A	98.7	Very high	98.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.7	-52.2	179.4	0	0	0	0	0	111.9	L303 L306 M307 A322 L323 Q324 T329 L330	L303-A326 HydrophobicContact CD2-CB 4.49Å; L306-A326 HydrophobicContact CB-CB 4.03Å; L306-A326 HydrophobicContact CD1-CB 4.34Å; M307-A326 HydrophobicContact CG-CB 4.13Å; A322-A326 PolarHBondContact O-N 3.31Å; A322-A326 VanDerWaalsContact O-N 3.12Å; L323-A326 PolarHBondContact O-N 3.44Å; Q324-A326 VanDerWaalsContact C-N 3.33Å; Q324-A326 PolarHBondContact O-N 2.9Å; A326-T329 PolarHBondContact O-N 3.24Å; A326-L330 WeakPolarHBondContact O-CG 3.38Å; A326-L330 PolarHBondContact O-N 3.46Å
327	L	98.8	Very high	98.3	Very high	22 Å²	22	32.9 Å²	32.9	12%	0.115	17%	0.171	C	C	.	.	H	α-helix	trans	-65.3	-41.2	-179.1	-67.4	-175.3	0	0	0	112.1	L323 R331 A377 V380 Y386	L323-L327 HydrophobicContact CD1-CD1 3.95Å; L323-L327 HydrophobicContact CD1-CD2 4.43Å; L323-L327 HydrophobicContact CD1-CG 3.93Å; L323-L327 HydrophobicContact CD2-CD1 4.38Å; L323-L327 HydrophobicContact CG-CD1 3.88Å; L323-L327 HydrophobicContact CG-CG 4.2Å; L323-L327 WeakPolarHBondContact O-CB 3.23Å; L323-L327 WeakPolarHBondContact O-CG 3.44Å; L323-L327 PolarHBondContact O-N 2.79Å; L327-R331 WeakPolarHBondContact O-CB 3.47Å; L327-R331 PolarHBondContact O-N 2.94Å; L327-A377 HydrophobicContact CD2-CB 3.72Å; L327-V380 HydrophobicContact CD2-CG2 4.06Å; L327-Y386 WeakPolarHBondContact CB-OH 3.29Å; L327-Y386 HydrophobicContact CD2-CE1 4.48Å; L327-Y386 HydrophobicContact CD2-CE2 3.83Å; L327-Y386 PolarHBondContact O-OH 3.49Å
328	H	98.7	Very high	98.3	Very high	38 Å²	38	28.7 Å²	28.7	18%	0.176	14%	0.142	C	C	.	.	H	α-helix	trans	-62.7	-47.5	176.4	-177.6	-120.1	0	0	0	111.2	Y284 E286 Q324 L330 R331 M332	Y284-H328 AromaticContact CZ-ND1 3.97Å; Y284-H328 PolarHBondContact OH-ND1 2.84Å; E286-H328 PolarHBondContact O-CE1 2.93Å; Q324-H328 WeakPolarHBondContact O-CB 3.26Å; Q324-H328 PolarHBondContact O-N 3.32Å; H328-L330 PolarHBondContact O-N 2.99Å; H328-R331 PolarHBondContact O-N 3.3Å; H328-M332 WeakPolarHBondContact O-CG 3.39Å; H328-M332 PolarHBondContact O-N 3.48Å
329	T	98.6	Very high	98.3	Very high	1 Å²	1	26 Å²	26	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-47.4	178.9	-57	0	0	0	0	111.6	G290 L303 M325 A326 R331 M332 M333 W355	G290-T329 PolarHBondContact N-OG1 3.06Å; L303-T329 HydrophobicContact CD2-CG2 3.89Å; M325-T329 VanDerWaalsContact O-CB 3.29Å; M325-T329 WeakPolarHBondContact O-CB 3.47Å; M325-T329 PolarHBondContact O-N 3.04Å; M325-T329 PolarHBondContact O-OG1 3.07Å; A326-T329 PolarHBondContact O-N 3.24Å; T329-R331 VanDerWaalsContact C-N 3.32Å; T329-R331 PolarHBondContact O-N 2.89Å; T329-M332 PolarHBondContact O-N 2.99Å; T329-M333 HydrophobicContact CG2-CE 4.24Å; T329-M333 WeakPolarHBondContact O-CG 3.24Å; T329-M333 PolarHBondContact O-N 3.01Å; T329-W355 HydrophobicContact CG2-CZ2 4.1Å
330	L	98.8	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.8	-44.4	175.3	-74.3	169.9	0	0	0	111.7	L303 A326 H328 M332 M333 A334 A373 Y374 A377 Y386	L303-L330 HydrophobicContact CD1-CD2 3.64Å; L303-L330 HydrophobicContact CD1-CG 3.92Å; A326-L330 WeakPolarHBondContact O-CG 3.38Å; A326-L330 PolarHBondContact O-N 3.46Å; H328-L330 PolarHBondContact O-N 2.99Å; L330-M332 PolarHBondContact O-N 3.46Å; L330-M333 HydrophobicContact CD2-CE 3.73Å; L330-M333 HydrophobicContact CG-CE 4.42Å; L330-M333 PolarHBondContact O-N 2.63Å; L330-A334 WeakPolarHBondContact O-CB 3.3Å; L330-A334 PolarHBondContact O-N 2.9Å; L330-A373 HydrophobicContact CD2-CB 4.14Å; L330-Y374 HydrophobicContact CB-CD1 4.36Å; L330-Y374 HydrophobicContact CB-CE1 3.77Å; L330-Y374 HydrophobicContact CD2-CD1 4.14Å; L330-Y374 HydrophobicContact CD2-CD2 4.22Å; L330-Y374 HydrophobicContact CD2-CE1 3.87Å; L330-Y374 HydrophobicContact CD2-CE2 3.96Å; L330-Y374 HydrophobicContact CD2-CG 4.29Å; L330-Y374 HydrophobicContact CG-CE1 4.34Å; L330-Y374 PolarHBondContact O-OH 3.37Å; L330-A377 HydrophobicContact CD1-CB 3.48Å; L330-A377 VanDerWaalsContact CD1-CB 3.48Å; L330-Y386 HydrophobicContact CB-CD1 4.38Å; L330-Y386 HydrophobicContact CB-CE1 4.06Å
331	R	98.6	Very high	98.3	Very high	58 Å²	58	23.7 Å²	23.7	22%	0.219	11%	0.113	C	C	.	.	H	α-helix	trans	-62.5	-45.6	178	-175	173.3	-61.5	-99.3	-1.2	112.1	L327 H328 T329 M333 A334 L335 E383 F385 Y386	L327-R331 WeakPolarHBondContact O-CB 3.47Å; L327-R331 PolarHBondContact O-N 2.94Å; H328-R331 PolarHBondContact O-N 3.3Å; T329-R331 VanDerWaalsContact C-N 3.32Å; T329-R331 PolarHBondContact O-N 2.89Å; R331-M333 VanDerWaalsContact C-N 3.33Å; R331-M333 PolarHBondContact O-N 2.78Å; R331-A334 PolarHBondContact O-N 3.02Å; R331-L335 HydrophobicContact CG-CD1 3.86Å; R331-L335 HydrophobicContact CG-CG 4.38Å; R331-L335 WeakPolarHBondContact O-CB 3.46Å; R331-L335 VanDerWaalsContact O-CG 3.24Å; R331-L335 WeakPolarHBondContact O-CG 3.42Å; R331-L335 PolarHBondContact O-N 2.87Å; R331-E383 IonicContact CZ-OE2 3.13Å; R331-E383 IonicContact NH2-OE1 3.71Å; R331-E383 PolarHBondContact NH2-OE1 2.83Å; R331-E383 VanDerWaalsContact NH2-OE1 3.15Å; R331-E383 IonicContact NH2-OE2 2.76Å; R331-E383 PolarHBondContact NH2-OE2 3.36Å; R331-F385 HydrophobicContact CB-CE1 4.33Å; R331-F385 HydrophobicContact CG-CE1 4.15Å; R331-F385 HydrophobicContact CG-CZ 4.37Å; R331-Y386 PolarHBondContact NH2-OH 3.31Å
332	M	98.3	Very high	98.2	Very high	39 Å²	39	20.1 Å²	20.1	19%	0.192	10%	0.097	C	C	.	.	H	α-helix	trans	-67	-35.1	-179.3	-66.5	-50.6	-67.9	0	0	112.2	Y288 H328 T329 L330 L335 G336	Y288-M332 HydrophobicContact CD1-CE 3.58Å; Y288-M332 HydrophobicContact CE1-CE 4.35Å; Y288-M332 HydrophobicContact CG-CE 4.39Å; Y288-M332 WeakPolarHBondContact O-CB 3.43Å; Y288-M332 VanDerWaalsContact O-CG 3.29Å; Y288-M332 WeakPolarHBondContact O-CG 3.45Å; H328-M332 WeakPolarHBondContact O-CG 3.39Å; H328-M332 PolarHBondContact O-N 3.48Å; T329-M332 PolarHBondContact O-N 2.99Å; L330-M332 PolarHBondContact O-N 3.46Å; M332-L335 PolarHBondContact O-N 3.3Å; M332-G336 PolarHBondContact O-N 3.33Å
333	M	98.4	Very high	98	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.3	-48.4	170.9	-70.9	-170.5	-60.9	0	0	112.2	P298 L303 T329 L330 R331 L335 G336 I338 F346 W355 L370	P298-M333 HydrophobicContact CB-CE 4.44Å; P298-M333 HydrophobicContact CB-SD 3.62Å; P298-M333 HydrophobicContact CG-SD 4.15Å; L303-M333 HydrophobicContact CD1-CE 3.78Å; T329-M333 HydrophobicContact CG2-CE 4.24Å; T329-M333 WeakPolarHBondContact O-CG 3.24Å; T329-M333 PolarHBondContact O-N 3.01Å; L330-M333 HydrophobicContact CD2-CE 3.73Å; L330-M333 HydrophobicContact CG-CE 4.42Å; L330-M333 PolarHBondContact O-N 2.63Å; R331-M333 VanDerWaalsContact C-N 3.33Å; R331-M333 PolarHBondContact O-N 2.78Å; M333-L335 PolarHBondContact O-N 3.37Å; M333-G336 PolarHBondContact O-N 3.01Å; M333-G336 VanDerWaalsContact O-N 3.12Å; M333-I338 HydrophobicContact CB-CG2 4.3Å; M333-I338 WeakPolarHBondContact O-CG2 3.5Å; M333-F346 HydrophobicContact CB-CE1 4.12Å; M333-W355 HydrophobicContact CG-CD2 3.71Å; M333-W355 HydrophobicContact CG-CE3 3.77Å; M333-W355 HydrophobicContact CG-CG 4.33Å; M333-W355 HydrophobicContact CG-CH2 3.88Å; M333-W355 HydrophobicContact CG-CZ2 3.83Å; M333-W355 HydrophobicContact CG-CZ3 3.85Å; M333-W355 HydrophobicContact SD-CE3 4.35Å; M333-W355 HydrophobicContact SD-CH2 3.75Å; M333-W355 HydrophobicContact SD-CZ2 4.2Å; M333-W355 HydrophobicContact SD-CZ3 3.85Å; M333-L370 HydrophobicContact CE-CD2 3.99Å
334	A	98.5	Very high	97.9	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.033	11%	0.105	C	C	.	.	H	α-helix	trans	-64.6	-26.9	179.7	0	0	0	0	0	113.7	L330 R331 H339 H341 F346 Y374 F385 V389	L330-A334 WeakPolarHBondContact O-CB 3.3Å; L330-A334 PolarHBondContact O-N 2.9Å; R331-A334 PolarHBondContact O-N 3.02Å; A334-H339 PolarHBondContact O-ND1 3.33Å; A334-H341 PolarHBondContact O-CE1 3.18Å; A334-F346 HydrophobicContact CB-CZ 4.32Å; A334-Y374 HydrophobicContact CB-CE1 4.17Å; A334-Y374 WeakPolarHBondContact CB-OH 3.37Å; A334-Y374 PolarHBondContact N-OH 2.96Å; A334-F385 HydrophobicContact CB-CE1 4.12Å; A334-F385 HydrophobicContact CB-CZ 3.58Å; A334-V389 HydrophobicContact CB-CG1 4.38Å; A334-V389 HydrophobicContact CB-CG2 3.96Å
335	L	98.1	Very high	97.8	Very high	51 Å²	51	16 Å²	16	27%	0.267	8%	0.079	S	C	.	.	H	α-helix	trans	-86.8	-21.3	174.5	-64.6	176.6	0	0	0	112.8	R331 M332 M333 V489	R331-L335 HydrophobicContact CG-CD1 3.86Å; R331-L335 HydrophobicContact CG-CG 4.38Å; R331-L335 WeakPolarHBondContact O-CB 3.46Å; R331-L335 VanDerWaalsContact O-CG 3.24Å; R331-L335 WeakPolarHBondContact O-CG 3.42Å; R331-L335 PolarHBondContact O-N 2.87Å; M332-L335 PolarHBondContact O-N 3.3Å; M333-L335 PolarHBondContact O-N 3.37Å; L335-V489 HydrophobicContact CB-CB 4.19Å; L335-V489 HydrophobicContact CD2-CB 3.9Å; L335-V489 HydrophobicContact CD2-CG1 3.94Å; L335-V489 HydrophobicContact CD2-CG2 4.09Å; L335-V489 PolarHBondContact O-N 2.84Å
336	G	97.9	Very high	97.8	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.01	8%	0.078	C	C	.	.	S	Bend	trans	-69.1	171.2	-179.9	0	0	0	0	0	113.8	M332 M333 I338 H339 H341 W355	M332-G336 PolarHBondContact O-N 3.33Å; M333-G336 PolarHBondContact O-N 3.01Å; M333-G336 VanDerWaalsContact O-N 3.12Å; G336-I338 VanDerWaalsContact C-N 3.26Å; G336-H339 PolarHBondContact O-N 3.39Å; G336-H341 PolarHBondContact O-NE2 3.16Å; G336-W355 CarbonylContact C-O 3.04Å; G336-W355 VanDerWaalsContact CA-O 3.29Å; G336-W355 WeakPolarHBondContact CA-O 3.5Å
337	G	97.1	Very high	97.8	Very high	2 Å²	2	16 Å²	16	2%	0.021	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.6	172.3	0	0	0	0	0	114.1	H339 W355 H356 L487	G337-H339 PolarHBondContact O-N 3.12Å; G337-W355 PolarHBondContact N-O 3.32Å; G337-H356 CarbonylContact C-O 3.48Å; G337-H356 VanDerWaalsContact CA-O 3.23Å; G337-H356 WeakPolarHBondContact CA-O 3.48Å; G337-L487 WeakPolarHBondContact CA-O 3.3Å
338	I	97.3	Very high	97.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.6	164.1	-164.3	172.5	0	0	0	112.3	P298 M333 G336 F346 H347 W355	P298-I338 HydrophobicContact CG-CD1 3.91Å; M333-I338 HydrophobicContact CB-CG2 4.3Å; M333-I338 WeakPolarHBondContact O-CG2 3.5Å; G336-I338 VanDerWaalsContact C-N 3.26Å; I338-F346 HydrophobicContact CG2-CD1 4.17Å; I338-F346 HydrophobicContact CG2-CE1 4.41Å; I338-F346 CarbonylContact O-C 3.48Å; I338-F346 WeakPolarHBondContact O-CA 3.31Å; I338-H347 WeakPolarHBondContact CD1-O 3.13Å; I338-H347 HydrophobicContact CG1-CB 4.13Å; I338-H347 WeakPolarHBondContact CG1-O 3.43Å; I338-H347 PolarHBondContact O-CD2 3.2Å; I338-H347 PolarHBondContact O-N 3.14Å; I338-W355 HydrophobicContact CD1-CE3 4.04Å; I338-W355 HydrophobicContact CD1-CZ3 4.22Å; I338-W355 HydrophobicContact CG2-CB 4.13Å; I338-W355 HydrophobicContact CG2-CE3 4.29Å; I338-W355 PolarHBondContact N-O 3.44Å; I338-W355 VanDerWaalsContact N-O 3.11Å
339	H	98.4	Very high	97.3	Very high	16 Å²	16	15.2 Å²	15.2	7%	0.074	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-90.7	124.8	170.9	179.8	-149.2	0	0	0	109.9	A334 G336 G337 H341 F346 D392	A334-H339 PolarHBondContact O-ND1 3.33Å; G336-H339 PolarHBondContact O-N 3.39Å; G337-H339 PolarHBondContact O-N 3.12Å; H339-H341 AromaticContact ND1-CE1 3.68Å; H339-H341 AromaticContact ND1-ND1 3.93Å; H339-H341 PolarHBondContact O-CD2 2.68Å; H339-H341 PolarHBondContact O-N 2.98Å; H339-H341 PolarHBondContact O-NE2 3.15Å; H339-F346 HydrophobicContact CB-CD1 4.14Å; H339-F346 HydrophobicContact CB-CE1 3.68Å; H339-F346 HydrophobicContact CB-CZ 3.93Å; H339-F346 AromaticContact CD2-CE2 3.86Å; H339-F346 AromaticContact CD2-CZ 3.97Å; H339-F346 AromaticContact CG-CZ 3.9Å; H339-D392 IonicContact NE2-OD1 3.05Å; H339-D392 IonicContact NE2-OD2 2.78Å; H339-D392 PolarHBondContact NE2-OD2 3.2Å
340	D	97.7	Very high	97.1	Very high	11 Å²	11	15.1 Å²	15.1	6%	0.059	7%	0.073	C	C	.	.			trans	-76.7	94.4	177.9	-176.6	-15.7	0	0	0	110.6	I342 A343 Q344 G345 K362 R522	D340-I342 PolarHBondContact O-N 2.56Å; D340-I342 PolarHBondContact OD1-N 2.94Å; D340-A343 PolarHBondContact OD1-N 3.25Å; D340-A343 WeakPolarHBondContact OD2-CB 3.33Å; D340-Q344 VanDerWaalsContact O-CA 3.25Å; D340-Q344 WeakPolarHBondContact O-CA 3.36Å; D340-Q344 PolarHBondContact O-N 2.91Å; D340-G345 PolarHBondContact N-O 3.36Å; D340-K362 VanDerWaalsContact CB-NZ 3.26Å; D340-K362 IonicContact OD2-NZ 2.94Å; D340-K362 PolarHBondContact OD2-NZ 3.31Å; D340-R522 IonicContact OD2-CZ 3.16Å; D340-R522 IonicContact OD2-NH2 3.81Å; D340-R522 PolarHBondContact OD2-NH2 2.97Å
341	H	97.3	Very high	96.8	Very high	21 Å²	21	16.7 Å²	16.7	10%	0.097	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-9.4	-178.2	-64.9	-77.1	0	0	0	115.1	A334 G336 H339 Y463 L487 R515	A334-H341 PolarHBondContact O-CE1 3.18Å; G336-H341 PolarHBondContact O-NE2 3.16Å; H339-H341 AromaticContact ND1-CE1 3.68Å; H339-H341 AromaticContact ND1-ND1 3.93Å; H339-H341 PolarHBondContact O-CD2 2.68Å; H339-H341 PolarHBondContact O-N 2.98Å; H339-H341 PolarHBondContact O-NE2 3.15Å; H341-Y463 HydrophobicContact CB-CD1 4.43Å; H341-Y463 HydrophobicContact CB-CE1 3.66Å; H341-Y463 AromaticContact CG-CE1 3.47Å; H341-Y463 VanDerWaalsContact CG-CE1 3.47Å; H341-Y463 AromaticContact ND1-CE1 3.6Å; H341-L487 HydrophobicContact CB-CB 4.42Å; H341-L487 HydrophobicContact CB-CD1 4.35Å; H341-L487 PolarHBondContact CD2-O 3.05Å; H341-R515 WeakPolarHBondContact O-CD 3.42Å
342	I	97	Very high	96.5	Very high	10 Å²	10	14.2 Å²	14.2	5%	0.051	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-48.6	179.2	-56.2	-54	0	0	0	111.5	D340 W433 F459 L487 R515 M518 A519 R522	D340-I342 PolarHBondContact O-N 2.56Å; D340-I342 PolarHBondContact OD1-N 2.94Å; I342-W433 HydrophobicContact CG1-CZ2 4.44Å; I342-F459 HydrophobicContact CD1-CZ 4.19Å; I342-L487 HydrophobicContact CD1-CD1 3.63Å; I342-L487 HydrophobicContact CG1-CD1 3.6Å; I342-R515 HydrophobicContact CD1-CG 4.11Å; I342-M518 HydrophobicContact CD1-CB 3.87Å; I342-M518 HydrophobicContact CD1-CE 4.04Å; I342-M518 HydrophobicContact CD1-SD 3.89Å; I342-M518 HydrophobicContact CG1-CB 4.36Å; I342-M518 HydrophobicContact CG1-CE 4.37Å; I342-M518 HydrophobicContact CG2-CB 3.97Å; I342-A519 HydrophobicContact CG2-CB 4.02Å; I342-R522 HydrophobicContact CG2-CG 3.92Å
343	A	93.4	Very high	96.2	Very high	13 Å²	13	14.7 Å²	14.7	11%	0.107	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	15	-174.9	0	0	0	0	0	113.7	D340 R399	D340-A343 PolarHBondContact OD1-N 3.25Å; D340-A343 WeakPolarHBondContact OD2-CB 3.33Å; A343-R399 PolarHBondContact O-NH2 2.84Å
344	Q	96.6	Very high	96	Very high	44 Å²	44	15.5 Å²	15.5	21%	0.206	9%	0.086	C	C	.	.			trans	64.9	166.4	174.8	-66.7	116.4	-13.4	0	0	115.1	D340 K362 D392	D340-Q344 VanDerWaalsContact O-CA 3.25Å; D340-Q344 WeakPolarHBondContact O-CA 3.36Å; D340-Q344 PolarHBondContact O-N 2.91Å; Q344-K362 PolarHBondContact O-NZ 2.83Å; Q344-D392 VanDerWaalsContact CA-OD2 3.29Å; Q344-D392 WeakPolarHBondContact CA-OD2 3.4Å; Q344-D392 WeakPolarHBondContact CB-OD2 3.37Å; Q344-D392 HydrophobicContact CG-CB 4.41Å; Q344-D392 WeakPolarHBondContact CG-OD1 3.25Å; Q344-D392 WeakPolarHBondContact CG-OD2 3.49Å
345	G	97.9	Very high	95.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	75.3	172	179.5	0	0	0	0	0	113.7	D340 D392	D340-G345 PolarHBondContact N-O 3.36Å; G345-D392 PolarHBondContact N-OD2 3.25Å
346	F	98.4	Very high	95.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-108.5	138.3	-171.9	-75	-101.5	0	0	0	112.5	M333 A334 I338 H339 K362 Q367 L370 Y374 V389 I393	M333-F346 HydrophobicContact CB-CE1 4.12Å; A334-F346 HydrophobicContact CB-CZ 4.32Å; I338-F346 HydrophobicContact CG2-CD1 4.17Å; I338-F346 HydrophobicContact CG2-CE1 4.41Å; I338-F346 CarbonylContact O-C 3.48Å; I338-F346 WeakPolarHBondContact O-CA 3.31Å; H339-F346 HydrophobicContact CB-CD1 4.14Å; H339-F346 HydrophobicContact CB-CE1 3.68Å; H339-F346 HydrophobicContact CB-CZ 3.93Å; H339-F346 AromaticContact CD2-CE2 3.86Å; H339-F346 AromaticContact CD2-CZ 3.97Å; H339-F346 AromaticContact CG-CZ 3.9Å; F346-K362 WeakPolarHBondContact O-CG 3.45Å; F346-Q367 PolarHBondContact O-NE2 3.36Å; F346-L370 HydrophobicContact CB-CD1 3.67Å; F346-L370 HydrophobicContact CD1-CD1 4.03Å; F346-L370 HydrophobicContact CD2-CD1 4.01Å; F346-L370 HydrophobicContact CG-CD1 3.62Å; F346-Y374 HydrophobicContact CE1-CE2 4.45Å; F346-Y374 AromaticContact CE2-CE2 3.88Å; F346-Y374 HydrophobicContact CE2-CE2 3.88Å; F346-Y374 AromaticContact CZ-CE2 3.7Å; F346-Y374 HydrophobicContact CZ-CE2 3.7Å; F346-Y374 AromaticContact CZ-CZ 3.79Å; F346-Y374 VanDerWaalsContact CZ-OH 3.27Å; F346-Y374 WeakPolarHBondContact CZ-OH 3.12Å; F346-V389 HydrophobicContact CE2-CG1 3.71Å; F346-V389 HydrophobicContact CZ-CG1 3.84Å; F346-I393 HydrophobicContact CD2-CD1 3.87Å; F346-I393 HydrophobicContact CD2-CG1 3.75Å; F346-I393 HydrophobicContact CE2-CD1 3.74Å; F346-I393 HydrophobicContact CE2-CG1 3.8Å
347	H	97.6	Very high	95.7	Very high	5 Å²	5	13.2 Å²	13.2	2%	0.023	7%	0.073	C	C	.	.			trans	-70.4	158.2	160.8	-58.8	-64	0	0	0	110.1	I338 P358 H359 F360 E361 K362	I338-H347 WeakPolarHBondContact CD1-O 3.13Å; I338-H347 HydrophobicContact CG1-CB 4.13Å; I338-H347 WeakPolarHBondContact CG1-O 3.43Å; I338-H347 PolarHBondContact O-CD2 3.2Å; I338-H347 PolarHBondContact O-N 3.14Å; H347-P358 HydrophobicContact CB-CB 3.56Å; H347-P358 HydrophobicContact CB-CG 4.36Å; H347-H359 WeakPolarHBondContact CB-O 3.31Å; H347-F360 AromaticContact CE1-CD1 3.63Å; H347-F360 WeakPolarHBondContact ND1-CA 3.37Å; H347-F360 PolarHBondContact ND1-O 3.5Å; H347-F360 AromaticContact NE2-CD1 3.76Å; H347-E361 CarbonylContact C-O 3.6Å; H347-E361 VanDerWaalsContact CA-O 3.32Å; H347-E361 WeakPolarHBondContact CA-O 2.96Å; H347-K362 WeakPolarHBondContact CE1-CE 3.31Å
348	R	94	Very high	95.5	Very high	13 Å²	13	13.2 Å²	13.2	5%	0.049	7%	0.073	C	C	.	.	S	Bend	trans	-66.4	-46	-168.8	-177.3	-175.4	-165.1	-169.4	6	114.1	Y136 P298 E361 M363 Y365 D366	Y136-R348 PolarHBondContact OH-NH1 3.49Å; P298-R348 WeakPolarHBondContact CD-O 3.47Å; R348-E361 HydrophobicContact CB-CG 3.6Å; R348-E361 VanDerWaalsContact CD-CD 3.46Å; R348-E361 WeakPolarHBondContact CD-OE1 3.29Å; R348-E361 HydrophobicContact CG-CG 4.44Å; R348-E361 IonicContact CZ-OE1 3.98Å; R348-E361 PolarHBondContact N-O 3.4Å; R348-E361 IonicContact NE-OE1 2.82Å; R348-E361 IonicContact NH1-OE1 3.79Å; R348-E361 PolarHBondContact NH1-OE1 2.85Å; R348-E361 IonicContact NH1-OE2 3.74Å; R348-M363 HydrophobicContact CB-CG 4.26Å; R348-M363 HydrophobicContact CG-CG 4.16Å; R348-Y365 VanDerWaalsContact CZ-OH 3.28Å; R348-Y365 PolarHBondContact NE-OH 2.99Å; R348-Y365 PolarHBondContact NH2-OH 2.68Å; R348-D366 WeakPolarHBondContact CG-OD2 3.31Å
349	Y	93.4	Very high	95.2	Very high	30 Å²	30	14.1 Å²	14.1	12%	0.118	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	161.1	-178.4	70	-83.5	0	0	0	112	P295 K296 F297 P358 H359	P295-Y349 HydrophobicContact CB-CD2 3.88Å; P295-Y349 HydrophobicContact CB-CE2 3.98Å; K296-Y349 WeakPolarHBondContact O-CA 3.39Å; K296-Y349 WeakPolarHBondContact O-CB 3.36Å; F297-Y349 HydrophobicContact CD1-CD1 4.34Å; F297-Y349 HydrophobicContact CD1-CG 4.08Å; F297-Y349 AromaticContact CE1-CD1 3.54Å; F297-Y349 HydrophobicContact CE1-CD1 3.54Å; F297-Y349 HydrophobicContact CE1-CD2 4.26Å; F297-Y349 HydrophobicContact CE1-CE1 4.19Å; F297-Y349 AromaticContact CE1-CG 3.57Å; F297-Y349 HydrophobicContact CE1-CG 3.57Å; F297-Y349 AromaticContact CE2-CD2 3.96Å; F297-Y349 HydrophobicContact CE2-CD2 3.96Å; F297-Y349 HydrophobicContact CE2-CE2 4.4Å; F297-Y349 HydrophobicContact CE2-CG 4.07Å; F297-Y349 AromaticContact CZ-CD1 3.71Å; F297-Y349 HydrophobicContact CZ-CD1 3.71Å; F297-Y349 AromaticContact CZ-CD2 3.77Å; F297-Y349 HydrophobicContact CZ-CD2 3.77Å; F297-Y349 HydrophobicContact CZ-CE1 4.04Å; F297-Y349 HydrophobicContact CZ-CE2 4.06Å; F297-Y349 AromaticContact CZ-CG 3.55Å; F297-Y349 HydrophobicContact CZ-CG 3.55Å; Y349-P358 CarbonylContact O-C 3.59Å; Y349-P358 VanDerWaalsContact O-CA 3.26Å; Y349-P358 WeakPolarHBondContact O-CA 3.44Å; Y349-H359 HydrophobicContact CD1-CB 4.11Å; Y349-H359 AromaticContact CD2-CD2 3.88Å; Y349-H359 HydrophobicContact CE1-CB 3.71Å; Y349-H359 AromaticContact CE1-CD2 3.76Å; Y349-H359 AromaticContact CE1-CG 3.87Å; Y349-H359 HydrophobicContact CE2-CB 4.4Å; Y349-H359 AromaticContact CE2-CD2 3.04Å; Y349-H359 WeakPolarHBondContact CE2-CD2 3.5Å; Y349-H359 AromaticContact CE2-CG 3.97Å; Y349-H359 AromaticContact CE2-NE2 3.73Å; Y349-H359 AromaticContact CZ-CD2 2.96Å; Y349-H359 AromaticContact CZ-CG 3.5Å; Y349-H359 AromaticContact CZ-NE2 3.63Å; Y349-H359 PolarHBondContact O-N 2.86Å; Y349-H359 PolarHBondContact OH-CD2 2.9Å; Y349-H359 PolarHBondContact OH-NE2 2.81Å
350	S	94.3	Very high	95	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.4	176.6	177.5	0	0	0	0	110.5	P295 K296 D352 W355 V357	P295-S350 CarbonylContact C-O 3.5Å; P295-S350 VanDerWaalsContact CA-O 3.27Å; P295-S350 WeakPolarHBondContact CA-O 3.41Å; P295-S350 WeakPolarHBondContact CB-O 3.29Å; K296-S350 PolarHBondContact N-O 2.92Å; K296-S350 PolarHBondContact O-N 3.25Å; S350-D352 WeakPolarHBondContact CB-O 3.46Å; S350-D352 PolarHBondContact O-N 3.41Å; S350-D352 PolarHBondContact OG-N 2.91Å; S350-D352 PolarHBondContact OG-O 3.35Å; S350-D352 PolarHBondContact OG-OD1 2.92Å; S350-W355 WeakPolarHBondContact OG-CA 3.13Å; S350-V357 CarbonylContact C-O 3.6Å; S350-V357 VanDerWaalsContact CA-O 3.3Å; S350-V357 WeakPolarHBondContact CA-O 3.23Å; S350-V357 PolarHBondContact OG-O 3.06Å
351	T	92.3	Very high	94.8	Very high	33 Å²	33	13.4 Å²	13.4	20%	0.202	7%	0.073	C	C	.	.	S	Bend	trans	-72.5	-14.7	171.9	61.3	0	0	0	0	112.2	A294 V357 H359	A294-T351 WeakPolarHBondContact CB-O 3.48Å; T351-V357 PolarHBondContact N-O 3.37Å; T351-V357 WeakPolarHBondContact OG1-CB 3.27Å; T351-V357 WeakPolarHBondContact OG1-CG1 3.29Å; T351-V357 PolarHBondContact OG1-O 3.4Å; T351-V357 VanDerWaalsContact OG1-O 3.14Å; T351-H359 WeakPolarHBondContact CG2-CD2 3.49Å; T351-H359 VanDerWaalsContact CG2-NE2 3.28Å; T351-H359 WeakPolarHBondContact CG2-NE2 3.29Å
352	D	92.7	Very high	94.7	Very high	6 Å²	6	12.4 Å²	12.4	3%	0.032	7%	0.068	C	C	.	.	S	Bend	trans	-120.7	169.7	178.7	73.3	53.8	0	0	0	114	S350 S354 W355 H356 V357 Q475	S350-D352 WeakPolarHBondContact CB-O 3.46Å; S350-D352 PolarHBondContact O-N 3.41Å; S350-D352 PolarHBondContact OG-N 2.91Å; S350-D352 PolarHBondContact OG-O 3.35Å; S350-D352 PolarHBondContact OG-OD1 2.92Å; D352-S354 VanDerWaalsContact C-N 3.33Å; D352-S354 VanDerWaalsContact OD1-CA 3.3Å; D352-S354 WeakPolarHBondContact OD1-CA 3.4Å; D352-S354 PolarHBondContact OD1-N 2.88Å; D352-S354 PolarHBondContact OD1-OG 3.37Å; D352-W355 PolarHBondContact OD1-N 3.33Å; D352-W355 VanDerWaalsContact OD1-N 3.15Å; D352-H356 PolarHBondContact OD1-N 2.94Å; D352-H356 WeakPolarHBondContact OD2-CB 3.21Å; D352-V357 WeakPolarHBondContact OD2-CB 3.17Å; D352-V357 WeakPolarHBondContact OD2-CG2 3.38Å; D352-V357 PolarHBondContact OD2-N 3.33Å; D352-Q475 PolarHBondContact OD2-NE2 2.79Å; D352-Q475 VanDerWaalsContact OD2-NE2 3.13Å
353	S	91.9	Very high	94.7	Very high	48 Å²	48	11.9 Å²	11.9	34%	0.336	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.7	-179.4	57.7	0	0	0	0	114	Y288 K296	Y288-S353 WeakPolarHBondContact CB-O 3.39Å; K296-S353 WeakPolarHBondContact CD-O 3.27Å; K296-S353 WeakPolarHBondContact CE-O 3.49Å; K296-S353 PolarHBondContact NZ-O 3.02Å
354	S	93.7	Very high	95	Very high	17 Å²	17	11.3 Å²	11.3	12%	0.119	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	9.1	-175.9	65.3	0	0	0	0	114.2	D352 H356	D352-S354 VanDerWaalsContact C-N 3.33Å; D352-S354 VanDerWaalsContact OD1-CA 3.3Å; D352-S354 WeakPolarHBondContact OD1-CA 3.4Å; D352-S354 PolarHBondContact OD1-N 2.88Å; D352-S354 PolarHBondContact OD1-OG 3.37Å; S354-H356 PolarHBondContact O-N 3.16Å; S354-H356 VanDerWaalsContact OG-CB 3.28Å; S354-H356 WeakPolarHBondContact OG-CB 3.28Å
355	W	96.3	Very high	95.1	Very high	1 Å²	1	9.2 Å²	9.2	0%	0.004	5%	0.051	C	C	.	.	S	Bend	trans	57.7	23.9	-171.4	-52.5	101	0	0	0	113	Y288 G289 K296 F297 T329 M333 G336 G337 I338 S350 D352	Y288-W355 VanDerWaalsContact O-CD1 3.3Å; Y288-W355 PolarHBondContact O-NE1 3.03Å; G289-W355 PolarHBondContact O-NE1 3.22Å; K296-W355 HydrophobicContact CB-CD2 4.35Å; K296-W355 HydrophobicContact CB-CE3 3.94Å; K296-W355 HydrophobicContact CB-CH2 3.81Å; K296-W355 HydrophobicContact CB-CZ2 4.19Å; K296-W355 HydrophobicContact CB-CZ3 3.66Å; K296-W355 HydrophobicContact CD-CD2 4.13Å; K296-W355 HydrophobicContact CD-CH2 4.28Å; K296-W355 HydrophobicContact CD-CZ2 3.78Å; F297-W355 WeakPolarHBondContact O-CH2 3.27Å; T329-W355 HydrophobicContact CG2-CZ2 4.1Å; M333-W355 HydrophobicContact CG-CD2 3.71Å; M333-W355 HydrophobicContact CG-CE3 3.77Å; M333-W355 HydrophobicContact CG-CG 4.33Å; M333-W355 HydrophobicContact CG-CH2 3.88Å; M333-W355 HydrophobicContact CG-CZ2 3.83Å; M333-W355 HydrophobicContact CG-CZ3 3.85Å; M333-W355 HydrophobicContact SD-CE3 4.35Å; M333-W355 HydrophobicContact SD-CH2 3.75Å; M333-W355 HydrophobicContact SD-CZ2 4.2Å; M333-W355 HydrophobicContact SD-CZ3 3.85Å; G336-W355 CarbonylContact C-O 3.04Å; G336-W355 VanDerWaalsContact CA-O 3.29Å; G336-W355 WeakPolarHBondContact CA-O 3.5Å; G337-W355 PolarHBondContact N-O 3.32Å; I338-W355 HydrophobicContact CD1-CE3 4.04Å; I338-W355 HydrophobicContact CD1-CZ3 4.22Å; I338-W355 HydrophobicContact CG2-CB 4.13Å; I338-W355 HydrophobicContact CG2-CE3 4.29Å; I338-W355 PolarHBondContact N-O 3.44Å; I338-W355 VanDerWaalsContact N-O 3.11Å; S350-W355 WeakPolarHBondContact OG-CA 3.13Å; D352-W355 PolarHBondContact OD1-N 3.33Å; D352-W355 VanDerWaalsContact OD1-N 3.15Å
356	H	96.1	Very high	95.1	Very high	6 Å²	6	9.4 Å²	9.4	3%	0.028	5%	0.052	C	C	.	.			trans	-88.9	-60.3	-170.4	178.8	-159.5	0	0	0	112	G337 D352 S354 P358 N470 V486 I488 R490	G337-H356 CarbonylContact C-O 3.48Å; G337-H356 VanDerWaalsContact CA-O 3.23Å; G337-H356 WeakPolarHBondContact CA-O 3.48Å; D352-H356 PolarHBondContact OD1-N 2.94Å; D352-H356 WeakPolarHBondContact OD2-CB 3.21Å; S354-H356 PolarHBondContact O-N 3.16Å; S354-H356 VanDerWaalsContact OG-CB 3.28Å; S354-H356 WeakPolarHBondContact OG-CB 3.28Å; H356-P358 VanDerWaalsContact O-CD 3.28Å; H356-P358 WeakPolarHBondContact O-CD 3.41Å; H356-N470 PolarHBondContact CE1-O 2.66Å; H356-N470 VanDerWaalsContact CE1-O 3.28Å; H356-N470 PolarHBondContact NE2-OD1 3.47Å; H356-V486 PolarHBondContact NE2-O 3.27Å; H356-V486 VanDerWaalsContact NE2-O 3.07Å; H356-V486 WeakPolarHBondContact O-CG1 3.41Å; H356-I488 HydrophobicContact CB-CD1 3.61Å; H356-I488 WeakPolarHBondContact CD2-CG2 3.49Å; H356-I488 WeakPolarHBondContact NE2-CG2 3.44Å; H356-R490 PolarHBondContact ND1-NH2 2.91Å; H356-R490 VanDerWaalsContact ND1-NH2 3.12Å
357	V	95.7	Very high	95.1	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.012	5%	0.052	C	C	.	.	S	Bend	trans	-92.9	111.7	-175.4	-177.3	0	0	0	0	110	S350 T351 D352 V471 Q475 L481	S350-V357 CarbonylContact C-O 3.6Å; S350-V357 VanDerWaalsContact CA-O 3.3Å; S350-V357 WeakPolarHBondContact CA-O 3.23Å; S350-V357 PolarHBondContact OG-O 3.06Å; T351-V357 PolarHBondContact N-O 3.37Å; T351-V357 WeakPolarHBondContact OG1-CB 3.27Å; T351-V357 WeakPolarHBondContact OG1-CG1 3.29Å; T351-V357 PolarHBondContact OG1-O 3.4Å; T351-V357 VanDerWaalsContact OG1-O 3.14Å; D352-V357 WeakPolarHBondContact OD2-CB 3.17Å; D352-V357 WeakPolarHBondContact OD2-CG2 3.38Å; D352-V357 PolarHBondContact OD2-N 3.33Å; V357-V471 HydrophobicContact CG1-CG1 4.28Å; V357-V471 HydrophobicContact CG2-CB 4.5Å; V357-V471 HydrophobicContact CG2-CG1 4.01Å; V357-V471 HydrophobicContact CG2-CG2 4.17Å; V357-Q475 HydrophobicContact CG2-CB 4.39Å; V357-L481 HydrophobicContact CG1-CD1 4.16Å
358	P	94.2	Very high	95.1	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.006	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	159.8	178.9	34.7	-35.6	0	0	0	112.2	H347 Y349 H356 F360 V486	H347-P358 HydrophobicContact CB-CB 3.56Å; H347-P358 HydrophobicContact CB-CG 4.36Å; Y349-P358 CarbonylContact O-C 3.59Å; Y349-P358 VanDerWaalsContact O-CA 3.26Å; Y349-P358 WeakPolarHBondContact O-CA 3.44Å; H356-P358 VanDerWaalsContact O-CD 3.28Å; H356-P358 WeakPolarHBondContact O-CD 3.41Å; P358-F360 HydrophobicContact CG-CD1 3.74Å; P358-F360 HydrophobicContact CG-CD2 3.95Å; P358-F360 HydrophobicContact CG-CE1 3.51Å; P358-F360 HydrophobicContact CG-CE2 3.74Å; P358-F360 HydrophobicContact CG-CG 3.98Å; P358-F360 HydrophobicContact CG-CZ 3.52Å; P358-F360 WeakPolarHBondContact O-CD2 3.29Å; P358-F360 WeakPolarHBondContact O-CE2 3.33Å; P358-V486 HydrophobicContact CG-CG1 4.44Å
359	H	90.8	Very high	95.4	Very high	20 Å²	20	9.5 Å²	9.5	9%	0.093	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	122.8	141.3	-81.3	-76.2	0	0	0	108.2	W141 H347 Y349 T351 E361 E427	W141-H359 AromaticContact NE1-CE1 3.84Å; H347-H359 WeakPolarHBondContact CB-O 3.31Å; Y349-H359 HydrophobicContact CD1-CB 4.11Å; Y349-H359 AromaticContact CD2-CD2 3.88Å; Y349-H359 HydrophobicContact CE1-CB 3.71Å; Y349-H359 AromaticContact CE1-CD2 3.76Å; Y349-H359 AromaticContact CE1-CG 3.87Å; Y349-H359 HydrophobicContact CE2-CB 4.4Å; Y349-H359 AromaticContact CE2-CD2 3.04Å; Y349-H359 WeakPolarHBondContact CE2-CD2 3.5Å; Y349-H359 AromaticContact CE2-CG 3.97Å; Y349-H359 AromaticContact CE2-NE2 3.73Å; Y349-H359 AromaticContact CZ-CD2 2.96Å; Y349-H359 AromaticContact CZ-CG 3.5Å; Y349-H359 AromaticContact CZ-NE2 3.63Å; Y349-H359 PolarHBondContact O-N 2.86Å; Y349-H359 PolarHBondContact OH-CD2 2.9Å; Y349-H359 PolarHBondContact OH-NE2 2.81Å; T351-H359 WeakPolarHBondContact CG2-CD2 3.49Å; T351-H359 VanDerWaalsContact CG2-NE2 3.28Å; T351-H359 WeakPolarHBondContact CG2-NE2 3.29Å; H359-E361 PolarHBondContact O-N 3.47Å; H359-E361 VanDerWaalsContact O-N 3.14Å; H359-E427 WeakPolarHBondContact CA-OE1 3.44Å; H359-E427 IonicContact CE1-OE1 2.69Å; H359-E427 IonicContact CE1-OE2 3.62Å; H359-E427 IonicContact CG-OE1 2.72Å; H359-E427 IonicContact ND1-OE1 3.61Å; H359-E427 PolarHBondContact ND1-OE1 3Å; H359-E427 IonicContact ND1-OE2 2.8Å
360	F	93.8	Very high	95.6	Very high	6 Å²	6	8 Å²	8	3%	0.026	5%	0.048	C	C	.	.			trans	-78.6	-0.6	-158.6	-73	-97.3	0	0	0	115.2	H347 P358 A414 E427 G428 C431 V432 L481 V486	H347-F360 AromaticContact CE1-CD1 3.63Å; H347-F360 WeakPolarHBondContact ND1-CA 3.37Å; H347-F360 PolarHBondContact ND1-O 3.5Å; H347-F360 AromaticContact NE2-CD1 3.76Å; P358-F360 HydrophobicContact CG-CD1 3.74Å; P358-F360 HydrophobicContact CG-CD2 3.95Å; P358-F360 HydrophobicContact CG-CE1 3.51Å; P358-F360 HydrophobicContact CG-CE2 3.74Å; P358-F360 HydrophobicContact CG-CG 3.98Å; P358-F360 HydrophobicContact CG-CZ 3.52Å; P358-F360 WeakPolarHBondContact O-CD2 3.29Å; P358-F360 WeakPolarHBondContact O-CE2 3.33Å; F360-A414 HydrophobicContact CB-CB 4.3Å; F360-E427 HydrophobicContact CD2-CG 3.68Å; F360-E427 HydrophobicContact CE2-CG 4.38Å; F360-G428 VanDerWaalsContact CD2-CA 3.41Å; F360-C431 HydrophobicContact CD1-CB 3.6Å; F360-C431 HydrophobicContact CE1-CB 3.59Å; F360-V432 HydrophobicContact CE1-CG1 3.9Å; F360-V432 HydrophobicContact CE2-CG1 4.5Å; F360-V432 HydrophobicContact CZ-CG1 3.56Å; F360-L481 HydrophobicContact CE2-CD1 4.15Å; F360-L481 HydrophobicContact CE2-CD2 4.37Å; F360-V486 HydrophobicContact CZ-CG2 3.88Å
361	E	93.1	Very high	95.9	Very high	5 Å²	5	8 Å²	8	2%	0.023	5%	0.048	C	C	.	.			trans	-59.4	140.3	174.8	61.4	-173.7	170.5	0	0	111.1	Y136 H347 R348 H359 M363 E412 A414	Y136-E361 VanDerWaalsContact CE2-OE2 3.3Å; Y136-E361 WeakPolarHBondContact CE2-OE2 3.47Å; Y136-E361 PolarHBondContact OH-OE2 3.42Å; H347-E361 CarbonylContact C-O 3.6Å; H347-E361 VanDerWaalsContact CA-O 3.32Å; H347-E361 WeakPolarHBondContact CA-O 2.96Å; R348-E361 HydrophobicContact CB-CG 3.6Å; R348-E361 VanDerWaalsContact CD-CD 3.46Å; R348-E361 WeakPolarHBondContact CD-OE1 3.29Å; R348-E361 HydrophobicContact CG-CG 4.44Å; R348-E361 IonicContact CZ-OE1 3.98Å; R348-E361 PolarHBondContact N-O 3.4Å; R348-E361 IonicContact NE-OE1 2.82Å; R348-E361 IonicContact NH1-OE1 3.79Å; R348-E361 PolarHBondContact NH1-OE1 2.85Å; R348-E361 IonicContact NH1-OE2 3.74Å; H359-E361 PolarHBondContact O-N 3.47Å; H359-E361 VanDerWaalsContact O-N 3.14Å; E361-M363 HydrophobicContact CB-SD 4.33Å; E361-M363 HydrophobicContact CG-SD 4.36Å; E361-E412 WeakPolarHBondContact CA-O 3.46Å; E361-A414 HydrophobicContact CB-CB 4.09Å
362	K	96.6	Very high	96.2	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	109.5	176.5	-63.9	-168.9	179.2	174.9	0	109.6	D340 Q344 F346 H347 Y396 A411 E412	D340-K362 VanDerWaalsContact CB-NZ 3.26Å; D340-K362 IonicContact OD2-NZ 2.94Å; D340-K362 PolarHBondContact OD2-NZ 3.31Å; Q344-K362 PolarHBondContact O-NZ 2.83Å; F346-K362 WeakPolarHBondContact O-CG 3.45Å; H347-K362 WeakPolarHBondContact CE1-CE 3.31Å; K362-Y396 HydrophobicContact CB-CE1 4.25Å; K362-Y396 VanDerWaalsContact CB-OH 3.3Å; K362-Y396 WeakPolarHBondContact CB-OH 3.38Å; K362-Y396 HydrophobicContact CD-CE1 3.94Å; K362-Y396 HydrophobicContact CD-CE2 3.74Å; K362-Y396 VanDerWaalsContact CD-CZ 3.42Å; K362-Y396 WeakPolarHBondContact CD-OH 3.45Å; K362-A411 VanDerWaalsContact O-CA 3.26Å; K362-A411 WeakPolarHBondContact O-CA 3.14Å; K362-E412 HydrophobicContact CB-CB 4.44Å; K362-E412 PolarHBondContact N-O 3.47Å; K362-E412 VanDerWaalsContact N-O 3.1Å; K362-E412 PolarHBondContact O-N 2.97Å
363	M	96.9	Very high	96.5	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	142.2	-176.2	-45	-60.8	-66	0	0	111.4	Y136 R348 E361 Y365 D366 Q367 A411 W538	Y136-M363 HydrophobicContact CD2-CE 4.2Å; Y136-M363 HydrophobicContact CE2-CE 4.21Å; R348-M363 HydrophobicContact CB-CG 4.26Å; R348-M363 HydrophobicContact CG-CG 4.16Å; E361-M363 HydrophobicContact CB-SD 4.33Å; E361-M363 HydrophobicContact CG-SD 4.36Å; M363-Y365 HydrophobicContact CB-CD1 3.85Å; M363-Y365 HydrophobicContact CB-CE1 3.46Å; M363-Y365 VanDerWaalsContact CB-CE1 3.46Å; M363-Y365 HydrophobicContact CB-CE2 4.13Å; M363-Y365 HydrophobicContact CB-CG 4.39Å; M363-Y365 HydrophobicContact CE-CE1 3.76Å; M363-Y365 HydrophobicContact CG-CE1 3.88Å; M363-Y365 HydrophobicContact CG-CE2 4.47Å; M363-Y365 PolarHBondContact O-N 3.49Å; M363-D366 HydrophobicContact CB-CB 4.46Å; M363-D366 WeakPolarHBondContact CB-OD2 3.39Å; M363-D366 WeakPolarHBondContact CG-OD2 3.08Å; M363-D366 PolarHBondContact O-N 3.43Å; M363-Q367 WeakPolarHBondContact O-CG 3.26Å; M363-Q367 PolarHBondContact O-N 3.38Å; M363-A411 HydrophobicContact CE-CB 3.8Å; M363-A411 HydrophobicContact SD-CB 3.65Å; M363-W538 HydrophobicContact CE-CH2 3.66Å; M363-W538 HydrophobicContact CE-CZ3 3.92Å
364	L	98.6	Very high	96.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-61.8	-41.3	-179.7	-175.1	69.3	0	0	0	112.7	D366 Q367 A368 V397 L401 F408 Y409 S410 W538 M542	L364-D366 VanDerWaalsContact C-N 3.32Å; L364-D366 PolarHBondContact O-N 3.22Å; L364-Q367 PolarHBondContact O-N 2.99Å; L364-A368 WeakPolarHBondContact O-CB 3.42Å; L364-A368 PolarHBondContact O-N 3.31Å; L364-V397 HydrophobicContact CD1-CG1 4.05Å; L364-L401 HydrophobicContact CD1-CB 4.38Å; L364-L401 HydrophobicContact CD1-CD1 4.17Å; L364-F408 HydrophobicContact CD1-CB 3.81Å; L364-F408 HydrophobicContact CD1-CG 4.33Å; L364-F408 HydrophobicContact CD2-CB 3.49Å; L364-F408 VanDerWaalsContact CD2-CB 3.49Å; L364-F408 HydrophobicContact CD2-CG 4.45Å; L364-F408 HydrophobicContact CG-CB 4.32Å; L364-Y409 WeakPolarHBondContact CD2-O 3.39Å; L364-S410 VanDerWaalsContact CB-O 3.27Å; L364-S410 WeakPolarHBondContact CB-O 3.28Å; L364-S410 PolarHBondContact N-O 3.4Å; L364-W538 HydrophobicContact CB-CB 4.48Å; L364-W538 HydrophobicContact CB-CE3 4.11Å; L364-W538 HydrophobicContact CD2-CB 3.83Å; L364-W538 HydrophobicContact CG-CB 4.41Å; L364-M542 HydrophobicContact CD1-CB 4.21Å; L364-M542 HydrophobicContact CD1-CE 3.52Å; L364-M542 HydrophobicContact CD1-CG 4.08Å; L364-M542 HydrophobicContact CD2-CB 4.42Å; L364-M542 HydrophobicContact CG-CB 4.3Å; L364-M542 HydrophobicContact CG-CE 4.22Å
365	Y	97.9	Very high	97	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-66.4	-32.4	-179.6	60.9	-97.9	0	0	0	112.8	R348 M363 Q369 W538 A670 E671	R348-Y365 VanDerWaalsContact CZ-OH 3.28Å; R348-Y365 PolarHBondContact NE-OH 2.99Å; R348-Y365 PolarHBondContact NH2-OH 2.68Å; M363-Y365 HydrophobicContact CB-CD1 3.85Å; M363-Y365 HydrophobicContact CB-CE1 3.46Å; M363-Y365 VanDerWaalsContact CB-CE1 3.46Å; M363-Y365 HydrophobicContact CB-CE2 4.13Å; M363-Y365 HydrophobicContact CB-CG 4.39Å; M363-Y365 HydrophobicContact CE-CE1 3.76Å; M363-Y365 HydrophobicContact CG-CE1 3.88Å; M363-Y365 HydrophobicContact CG-CE2 4.47Å; M363-Y365 PolarHBondContact O-N 3.49Å; Y365-Q369 WeakPolarHBondContact O-CB 3.31Å; Y365-Q369 VanDerWaalsContact O-CG 3.28Å; Y365-Q369 WeakPolarHBondContact O-CG 3.37Å; Y365-Q369 PolarHBondContact O-N 2.92Å; Y365-Q369 VanDerWaalsContact O-N 3.09Å; Y365-Q369 PolarHBondContact O-NE2 3.14Å; Y365-W538 AromaticContact CD1-CD2 3.63Å; Y365-W538 HydrophobicContact CD1-CD2 3.63Å; Y365-W538 AromaticContact CD1-CE2 3.34Å; Y365-W538 AromaticContact CD1-CE3 3.82Å; Y365-W538 HydrophobicContact CD1-CE3 3.82Å; Y365-W538 HydrophobicContact CD1-CG 4.33Å; Y365-W538 AromaticContact CD1-CH2 3.6Å; Y365-W538 HydrophobicContact CD1-CH2 3.6Å; Y365-W538 AromaticContact CD1-CZ2 3.37Å; Y365-W538 HydrophobicContact CD1-CZ2 3.37Å; Y365-W538 AromaticContact CD1-CZ3 3.78Å; Y365-W538 HydrophobicContact CD1-CZ3 3.78Å; Y365-W538 AromaticContact CD1-NE1 3.82Å; Y365-W538 HydrophobicContact CE1-CD2 4.46Å; Y365-W538 AromaticContact CE1-CE2 3.92Å; Y365-W538 HydrophobicContact CE1-CE3 4.45Å; Y365-W538 AromaticContact CE1-CH2 3.44Å; Y365-W538 HydrophobicContact CE1-CH2 3.44Å; Y365-W538 VanDerWaalsContact CE1-CH2 3.44Å; Y365-W538 AromaticContact CE1-CZ2 3.41Å; Y365-W538 HydrophobicContact CE1-CZ2 3.41Å; Y365-W538 VanDerWaalsContact CE1-CZ2 3.41Å; Y365-W538 AromaticContact CE1-CZ3 3.95Å; Y365-W538 HydrophobicContact CE1-CZ3 3.95Å; Y365-W538 HydrophobicContact CG-CD2 4.49Å; Y365-A670 HydrophobicContact CE2-CB 3.81Å; Y365-E671 HydrophobicContact CD1-CG 4.3Å; Y365-E671 HydrophobicContact CD2-CG 3.94Å; Y365-E671 HydrophobicContact CE2-CG 4.38Å; Y365-E671 HydrophobicContact CG-CG 3.9Å
366	D	98.1	Very high	97.2	Very high	4 Å²	4	3.8 Å²	3.8	2%	0.021	2%	0.019	C	C	.	.	H	α-helix	trans	-68.8	-45.2	174.9	-70.6	-48.8	0	0	0	110.2	R348 M363 L364 A368 Q369 L370	R348-D366 WeakPolarHBondContact CG-OD2 3.31Å; M363-D366 HydrophobicContact CB-CB 4.46Å; M363-D366 WeakPolarHBondContact CB-OD2 3.39Å; M363-D366 WeakPolarHBondContact CG-OD2 3.08Å; M363-D366 PolarHBondContact O-N 3.43Å; L364-D366 VanDerWaalsContact C-N 3.32Å; L364-D366 PolarHBondContact O-N 3.22Å; D366-A368 VanDerWaalsContact C-N 3.34Å; D366-A368 PolarHBondContact O-N 3.22Å; D366-Q369 PolarHBondContact O-N 3.16Å; D366-L370 VanDerWaalsContact O-CB 3.24Å; D366-L370 WeakPolarHBondContact O-CB 3.48Å; D366-L370 VanDerWaalsContact O-CG 3.3Å; D366-L370 WeakPolarHBondContact O-CG 3.46Å; D366-L370 PolarHBondContact O-N 3.06Å
367	Q	98.8	Very high	97.3	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-57.2	-48.9	174.8	-60.3	-37.6	-64.4	0	0	110.9	F346 M363 L364 Q369 L370 A371 I393 Y396 V397 M542	F346-Q367 PolarHBondContact O-NE2 3.36Å; M363-Q367 WeakPolarHBondContact O-CG 3.26Å; M363-Q367 PolarHBondContact O-N 3.38Å; L364-Q367 PolarHBondContact O-N 2.99Å; Q367-Q369 PolarHBondContact O-N 2.71Å; Q367-L370 PolarHBondContact O-N 2.53Å; Q367-A371 WeakPolarHBondContact O-CB 3.4Å; Q367-A371 PolarHBondContact O-N 3.26Å; Q367-I393 HydrophobicContact CB-CG2 3.68Å; Q367-I393 HydrophobicContact CG-CG2 4.35Å; Q367-I393 WeakPolarHBondContact O-CG2 3.49Å; Q367-Y396 HydrophobicContact CG-CD1 4.05Å; Q367-Y396 HydrophobicContact CG-CE1 3.96Å; Q367-V397 HydrophobicContact CB-CG2 3.71Å; Q367-V397 HydrophobicContact CG-CG2 3.83Å; Q367-M542 HydrophobicContact CB-CE 3.64Å
368	A	98.9	Very high	97.4	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.008	3%	0.026	C	C	.	.	H	α-helix	trans	-58.7	-52.7	-177.6	0	0	0	0	0	111.7	L364 D366 A371 V372 L541 M542 A545	L364-A368 WeakPolarHBondContact O-CB 3.42Å; L364-A368 PolarHBondContact O-N 3.31Å; D366-A368 VanDerWaalsContact C-N 3.34Å; D366-A368 PolarHBondContact O-N 3.22Å; A368-A371 PolarHBondContact O-N 3.13Å; A368-V372 WeakPolarHBondContact O-CG2 3.43Å; A368-V372 PolarHBondContact O-N 2.75Å; A368-L541 HydrophobicContact CB-CB 3.76Å; A368-M542 HydrophobicContact CB-CB 4.22Å; A368-M542 HydrophobicContact CB-CE 3.77Å; A368-M542 HydrophobicContact CB-SD 4.31Å; A368-A545 HydrophobicContact CB-CB 4.35Å; A368-A545 WeakPolarHBondContact O-CB 2.99Å
369	Q	98.8	Very high	97.6	Very high	19 Å²	19	6.6 Å²	6.6	9%	0.089	3%	0.032	C	C	.	.	H	α-helix	trans	-67.3	-38.6	-177.5	-69.6	178.5	82.8	0	0	112.2	P300 Y365 D366 Q367 V372 A373 A670	P300-Q369 HydrophobicContact CB-CB 3.84Å; P300-Q369 HydrophobicContact CG-CB 3.69Å; Y365-Q369 WeakPolarHBondContact O-CB 3.31Å; Y365-Q369 VanDerWaalsContact O-CG 3.28Å; Y365-Q369 WeakPolarHBondContact O-CG 3.37Å; Y365-Q369 PolarHBondContact O-N 2.92Å; Y365-Q369 VanDerWaalsContact O-N 3.09Å; Y365-Q369 PolarHBondContact O-NE2 3.14Å; D366-Q369 PolarHBondContact O-N 3.16Å; Q367-Q369 PolarHBondContact O-N 2.71Å; Q369-V372 PolarHBondContact O-N 2.8Å; Q369-A373 WeakPolarHBondContact O-CB 3.41Å; Q369-A373 PolarHBondContact O-N 2.73Å; Q369-A670 PolarHBondContact NE2-O 3.48Å
370	L	98.9	Very high	97.9	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-66.6	-43.6	176.3	-76.4	171	0	0	0	111.8	P298 P300 M333 F346 D366 Q367 V372 A373 Y374 I393	P298-L370 HydrophobicContact CB-CD1 4.36Å; P298-L370 HydrophobicContact CB-CD2 4.04Å; P298-L370 HydrophobicContact CG-CD1 4.45Å; P300-L370 HydrophobicContact CG-CD2 4Å; P300-L370 HydrophobicContact CG-CG 4.13Å; M333-L370 HydrophobicContact CE-CD2 3.99Å; F346-L370 HydrophobicContact CB-CD1 3.67Å; F346-L370 HydrophobicContact CD1-CD1 4.03Å; F346-L370 HydrophobicContact CD2-CD1 4.01Å; F346-L370 HydrophobicContact CG-CD1 3.62Å; D366-L370 VanDerWaalsContact O-CB 3.24Å; D366-L370 WeakPolarHBondContact O-CB 3.48Å; D366-L370 VanDerWaalsContact O-CG 3.3Å; D366-L370 WeakPolarHBondContact O-CG 3.46Å; D366-L370 PolarHBondContact O-N 3.06Å; Q367-L370 PolarHBondContact O-N 2.53Å; L370-V372 PolarHBondContact O-N 2.94Å; L370-A373 PolarHBondContact O-N 2.84Å; L370-Y374 HydrophobicContact CB-CD2 4.22Å; L370-Y374 HydrophobicContact CB-CE2 4.26Å; L370-Y374 HydrophobicContact CD2-CE2 4.08Å; L370-Y374 WeakPolarHBondContact O-CB 3.46Å; L370-Y374 WeakPolarHBondContact O-CD2 3.25Å; L370-Y374 PolarHBondContact O-N 3.03Å; L370-I393 HydrophobicContact CB-CD1 3.81Å
371	A	98.9	Very high	98	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-56.4	-42.2	176.2	0	0	0	0	0	111.3	Q367 A368 I375 I393 L394 A545 V549	Q367-A371 WeakPolarHBondContact O-CB 3.4Å; Q367-A371 PolarHBondContact O-N 3.26Å; A368-A371 PolarHBondContact O-N 3.13Å; A371-I375 WeakPolarHBondContact O-CG2 3.47Å; A371-I375 PolarHBondContact O-N 3.24Å; A371-I393 HydrophobicContact CB-CB 4.32Å; A371-I393 HydrophobicContact CB-CD1 4.35Å; A371-I393 HydrophobicContact CB-CG2 3.95Å; A371-L394 HydrophobicContact CB-CD2 4.06Å; A371-L394 HydrophobicContact CB-CG 4.42Å; A371-A545 HydrophobicContact CB-CB 4.06Å; A371-V549 HydrophobicContact CB-CG2 4.37Å
372	V	98.8	Very high	98.2	Very high	16 Å²	16	10.8 Å²	10.8	10%	0.097	7%	0.072	C	C	.	.	H	α-helix	trans	-64.4	-42.6	174.2	169.7	0	0	0	0	112.4	M304 A368 Q369 L370 I375 S376 A545	M304-V372 HydrophobicContact CE-CG1 4.46Å; M304-V372 HydrophobicContact SD-CG1 4.34Å; A368-V372 WeakPolarHBondContact O-CG2 3.43Å; A368-V372 PolarHBondContact O-N 2.75Å; Q369-V372 PolarHBondContact O-N 2.8Å; L370-V372 PolarHBondContact O-N 2.94Å; V372-I375 WeakPolarHBondContact O-CG2 3.39Å; V372-S376 WeakPolarHBondContact O-CB 3.47Å; V372-S376 PolarHBondContact O-N 2.76Å; V372-S376 PolarHBondContact O-OG 2.97Å; V372-A545 HydrophobicContact CG2-CB 4.02Å
373	A	98.8	Very high	98.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66	-44	178.2	0	0	0	0	0	112	P300 M304 L330 Q369 L370 S376 A377	P300-A373 HydrophobicContact CB-CB 4.35Å; M304-A373 HydrophobicContact SD-CB 4.25Å; L330-A373 HydrophobicContact CD2-CB 4.14Å; Q369-A373 WeakPolarHBondContact O-CB 3.41Å; Q369-A373 PolarHBondContact O-N 2.73Å; L370-A373 PolarHBondContact O-N 2.84Å; A373-S376 PolarHBondContact O-N 3.49Å; A373-A377 WeakPolarHBondContact O-CB 3.45Å; A373-A377 PolarHBondContact O-N 3.45Å
374	Y	98.9	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.3	-42.4	178.1	-82.2	-71	0	0	0	112.5	L330 A334 F346 L370 S376 A377 F378 Y386 V389 I393	L330-Y374 HydrophobicContact CB-CD1 4.36Å; L330-Y374 HydrophobicContact CB-CE1 3.77Å; L330-Y374 HydrophobicContact CD2-CD1 4.14Å; L330-Y374 HydrophobicContact CD2-CD2 4.22Å; L330-Y374 HydrophobicContact CD2-CE1 3.87Å; L330-Y374 HydrophobicContact CD2-CE2 3.96Å; L330-Y374 HydrophobicContact CD2-CG 4.29Å; L330-Y374 HydrophobicContact CG-CE1 4.34Å; L330-Y374 PolarHBondContact O-OH 3.37Å; A334-Y374 HydrophobicContact CB-CE1 4.17Å; A334-Y374 WeakPolarHBondContact CB-OH 3.37Å; A334-Y374 PolarHBondContact N-OH 2.96Å; F346-Y374 HydrophobicContact CE1-CE2 4.45Å; F346-Y374 AromaticContact CE2-CE2 3.88Å; F346-Y374 HydrophobicContact CE2-CE2 3.88Å; F346-Y374 AromaticContact CZ-CE2 3.7Å; F346-Y374 HydrophobicContact CZ-CE2 3.7Å; F346-Y374 AromaticContact CZ-CZ 3.79Å; F346-Y374 VanDerWaalsContact CZ-OH 3.27Å; F346-Y374 WeakPolarHBondContact CZ-OH 3.12Å; L370-Y374 HydrophobicContact CB-CD2 4.22Å; L370-Y374 HydrophobicContact CB-CE2 4.26Å; L370-Y374 HydrophobicContact CD2-CE2 4.08Å; L370-Y374 WeakPolarHBondContact O-CB 3.46Å; L370-Y374 WeakPolarHBondContact O-CD2 3.25Å; L370-Y374 PolarHBondContact O-N 3.03Å; Y374-S376 VanDerWaalsContact C-N 3.3Å; Y374-S376 PolarHBondContact O-N 3.13Å; Y374-A377 WeakPolarHBondContact O-CB 3.45Å; Y374-A377 PolarHBondContact O-N 2.92Å; Y374-F378 PolarHBondContact O-N 3.27Å; Y374-Y386 AromaticContact CD1-CD1 3.83Å; Y374-Y386 HydrophobicContact CD1-CD1 3.83Å; Y374-Y386 HydrophobicContact CE1-CD1 4.12Å; Y374-Y386 VanDerWaalsContact O-CB 3.28Å; Y374-Y386 WeakPolarHBondContact O-CB 3.31Å; Y374-V389 HydrophobicContact CD1-CB 3.8Å; Y374-V389 HydrophobicContact CD1-CG1 3.73Å; Y374-V389 HydrophobicContact CD2-CB 4.46Å; Y374-V389 HydrophobicContact CD2-CG1 3.67Å; Y374-V389 HydrophobicContact CE1-CB 4Å; Y374-V389 HydrophobicContact CE1-CG1 3.62Å; Y374-V389 HydrophobicContact CE1-CG2 4.35Å; Y374-V389 HydrophobicContact CE2-CG1 3.57Å; Y374-V389 HydrophobicContact CG-CB 4.08Å; Y374-V389 HydrophobicContact CG-CG1 3.78Å; Y374-I393 HydrophobicContact CD2-CD1 3.74Å; Y374-I393 HydrophobicContact CE2-CD1 4.15Å
375	I	98.8	Very high	98.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.6	-33.2	176.1	-162.8	66.8	0	0	0	112	A371 V372 A377 F378 Q379 A387 A390 V549 V552 L553	A371-I375 WeakPolarHBondContact O-CG2 3.47Å; A371-I375 PolarHBondContact O-N 3.24Å; V372-I375 WeakPolarHBondContact O-CG2 3.39Å; I375-A377 VanDerWaalsContact C-N 3.35Å; I375-F378 HydrophobicContact CD1-CB 4.44Å; I375-F378 HydrophobicContact CD1-CD1 4Å; I375-F378 WeakPolarHBondContact O-CB 3.24Å; I375-F378 PolarHBondContact O-N 2.91Å; I375-Q379 WeakPolarHBondContact O-CG 3.21Å; I375-Q379 PolarHBondContact O-N 2.74Å; I375-A387 HydrophobicContact CD1-CB 4.49Å; I375-A390 HydrophobicContact CB-CB 4.19Å; I375-V549 HydrophobicContact CB-CG2 3.96Å; I375-V549 HydrophobicContact CD1-CG1 4.46Å; I375-V549 HydrophobicContact CG1-CG2 4.34Å; I375-V549 HydrophobicContact CG2-CG2 3.92Å; I375-V552 HydrophobicContact CD1-CB 3.95Å; I375-V552 HydrophobicContact CD1-CG1 3.65Å; I375-V552 HydrophobicContact CG1-CB 3.65Å; I375-V552 HydrophobicContact CG1-CG1 3.66Å; I375-V552 HydrophobicContact CG1-CG2 3.95Å; I375-L553 HydrophobicContact CD1-CD1 4.34Å; I375-L553 HydrophobicContact CD1-CD2 3.81Å; I375-L553 HydrophobicContact CD1-CG 3.87Å
376	S	98.8	Very high	98.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.4	-40.4	172.1	-56.9	0	0	0	0	111.1	V372 A373 Y374 F378 Q379 V380 R548	V372-S376 WeakPolarHBondContact O-CB 3.47Å; V372-S376 PolarHBondContact O-N 2.76Å; V372-S376 PolarHBondContact O-OG 2.97Å; A373-S376 PolarHBondContact O-N 3.49Å; Y374-S376 VanDerWaalsContact C-N 3.3Å; Y374-S376 PolarHBondContact O-N 3.13Å; S376-F378 VanDerWaalsContact C-N 3.31Å; S376-F378 PolarHBondContact O-N 3.08Å; S376-Q379 WeakPolarHBondContact O-CB 3.41Å; S376-Q379 PolarHBondContact O-N 2.81Å; S376-Q379 VanDerWaalsContact O-N 3.12Å; S376-V380 WeakPolarHBondContact O-CG2 3.48Å; S376-V380 PolarHBondContact O-N 2.77Å; S376-R548 PolarHBondContact OG-NH2 2.9Å
377	A	98.8	Very high	98.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.8	-38.4	174	0	0	0	0	0	112.3	M307 L327 L330 A373 Y374 I375 V380 S381 Y386	M307-A377 HydrophobicContact SD-CB 4.4Å; L327-A377 HydrophobicContact CD2-CB 3.72Å; L330-A377 HydrophobicContact CD1-CB 3.48Å; L330-A377 VanDerWaalsContact CD1-CB 3.48Å; A373-A377 WeakPolarHBondContact O-CB 3.45Å; A373-A377 PolarHBondContact O-N 3.45Å; Y374-A377 WeakPolarHBondContact O-CB 3.45Å; Y374-A377 PolarHBondContact O-N 2.92Å; I375-A377 VanDerWaalsContact C-N 3.35Å; A377-V380 WeakPolarHBondContact O-CG2 3.11Å; A377-V380 PolarHBondContact O-N 2.7Å; A377-S381 VanDerWaalsContact O-CB 3.29Å; A377-S381 WeakPolarHBondContact O-CB 3.36Å; A377-S381 PolarHBondContact O-N 2.94Å; A377-S381 PolarHBondContact O-OG 3.02Å; A377-Y386 HydrophobicContact CB-CD1 3.95Å; A377-Y386 HydrophobicContact CB-CD2 3.99Å; A377-Y386 HydrophobicContact CB-CE1 4.45Å; A377-Y386 HydrophobicContact CB-CE2 4.49Å; A377-Y386 HydrophobicContact CB-CG 3.7Å
378	F	98.8	Very high	98.3	Very high	41 Å²	41	25.2 Å²	25.2	18%	0.18	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-45	171.3	171	-114.4	0	0	0	111.9	Y374 I375 S376 V380 S381 G382 E383 A387 V552 L553	Y374-F378 PolarHBondContact O-N 3.27Å; I375-F378 HydrophobicContact CD1-CB 4.44Å; I375-F378 HydrophobicContact CD1-CD1 4Å; I375-F378 WeakPolarHBondContact O-CB 3.24Å; I375-F378 PolarHBondContact O-N 2.91Å; S376-F378 VanDerWaalsContact C-N 3.31Å; S376-F378 PolarHBondContact O-N 3.08Å; F378-V380 VanDerWaalsContact C-N 3.34Å; F378-V380 PolarHBondContact O-N 2.95Å; F378-S381 PolarHBondContact O-N 2.77Å; F378-G382 VanDerWaalsContact O-CA 3.31Å; F378-G382 WeakPolarHBondContact O-CA 3.48Å; F378-G382 PolarHBondContact O-N 3.47Å; F378-E383 WeakPolarHBondContact CD2-O 3.31Å; F378-A387 HydrophobicContact CB-CB 4.06Å; F378-A387 HydrophobicContact CD1-CB 4.01Å; F378-A387 HydrophobicContact CD2-CB 3.73Å; F378-A387 HydrophobicContact CE1-CB 4.38Å; F378-A387 HydrophobicContact CE2-CB 4.12Å; F378-A387 HydrophobicContact CG-CB 3.66Å; F378-A387 HydrophobicContact CZ-CB 4.42Å; F378-V552 HydrophobicContact CD1-CG1 3.95Å; F378-V552 HydrophobicContact CE1-CG1 4.14Å; F378-L553 HydrophobicContact CE1-CD2 4.22Å
379	Q	97.9	Very high	98.3	Very high	27 Å²	27	25.7 Å²	25.7	13%	0.126	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-34.1	179.3	-68.1	176.6	-63.8	0	0	113.5	I375 S376 V552 N752 L754 F755	I375-Q379 WeakPolarHBondContact O-CG 3.21Å; I375-Q379 PolarHBondContact O-N 2.74Å; S376-Q379 WeakPolarHBondContact O-CB 3.41Å; S376-Q379 PolarHBondContact O-N 2.81Å; S376-Q379 VanDerWaalsContact O-N 3.12Å; Q379-V552 HydrophobicContact CG-CG1 3.81Å; Q379-V552 HydrophobicContact CG-CG2 4.23Å; Q379-N752 PolarHBondContact NE2-O 3Å; Q379-L754 PolarHBondContact NE2-O 2.88Å; Q379-F755 HydrophobicContact CB-CB 3.77Å
380	V	96.4	Very high	98.3	Very high	22 Å²	22	24.8 Å²	24.8	13%	0.133	14%	0.139	C	C	.	.	H	α-helix	trans	-80.7	-35.3	178	-63.8	0	0	0	0	113.2	M307 W310 L323 L327 S376 A377 F378 F755	M307-V380 HydrophobicContact SD-CG1 4.38Å; M307-V380 HydrophobicContact SD-CG2 4Å; W310-V380 HydrophobicContact CE3-CG1 3.99Å; W310-V380 HydrophobicContact CH2-CB 4.28Å; W310-V380 HydrophobicContact CH2-CG1 4.27Å; W310-V380 HydrophobicContact CZ3-CB 4Å; W310-V380 HydrophobicContact CZ3-CG1 3.54Å; L323-V380 HydrophobicContact CD1-CB 4.06Å; L323-V380 HydrophobicContact CD1-CG2 3.69Å; L327-V380 HydrophobicContact CD2-CG2 4.06Å; S376-V380 WeakPolarHBondContact O-CG2 3.48Å; S376-V380 PolarHBondContact O-N 2.77Å; A377-V380 WeakPolarHBondContact O-CG2 3.11Å; A377-V380 PolarHBondContact O-N 2.7Å; F378-V380 VanDerWaalsContact C-N 3.34Å; F378-V380 PolarHBondContact O-N 2.95Å; V380-F755 HydrophobicContact CB-CB 4.44Å; V380-F755 HydrophobicContact CG1-CB 3.34Å; V380-F755 HydrophobicContact CG1-CD1 3.42Å; V380-F755 VanDerWaalsContact CG1-CD1 3.42Å; V380-F755 HydrophobicContact CG1-CD2 4.05Å; V380-F755 HydrophobicContact CG1-CE1 4.2Å; V380-F755 HydrophobicContact CG1-CG 3.32Å
381	S	96.5	Very high	98.3	Very high	39 Å²	39	28.5 Å²	28.5	27%	0.273	16%	0.156	S	C	.	.	H	α-helix	trans	-100.1	-26	-171.7	66.6	0	0	0	0	114.1	A377 F378 E383 Y386	A377-S381 VanDerWaalsContact O-CB 3.29Å; A377-S381 WeakPolarHBondContact O-CB 3.36Å; A377-S381 PolarHBondContact O-N 2.94Å; A377-S381 PolarHBondContact O-OG 3.02Å; F378-S381 PolarHBondContact O-N 2.77Å; S381-E383 PolarHBondContact O-N 3.19Å; S381-E383 PolarHBondContact OG-N 3.29Å; S381-E383 VanDerWaalsContact OG-N 3.11Å; S381-Y386 VanDerWaalsContact OG-CD2 3.3Å; S381-Y386 WeakPolarHBondContact OG-CD2 3.49Å; S381-Y386 WeakPolarHBondContact OG-CE2 3.26Å
382	G	96.3	Very high	98.3	Very high	57 Å²	57	30.1 Å²	30.1	59%	0.588	16%	0.164	S	C	*	.			trans	70.9	2.3	-167.3	0	0	0	0	0	114.4	F378 Q384	F378-G382 VanDerWaalsContact O-CA 3.31Å; F378-G382 WeakPolarHBondContact O-CA 3.48Å; F378-G382 PolarHBondContact O-N 3.47Å; G382-Q384 PolarHBondContact O-N 3.41Å
383	E	97.9	Very high	98.3	Very high	78 Å²	78	29.3 Å²	29.3	36%	0.364	16%	0.16	S	C	.	.			trans	-79.9	114.5	-175.7	-64.7	-170.6	-103	0	0	111.9	R331 F378 S381 F385 Y386	R331-E383 IonicContact CZ-OE2 3.13Å; R331-E383 IonicContact NH2-OE1 3.71Å; R331-E383 PolarHBondContact NH2-OE1 2.83Å; R331-E383 VanDerWaalsContact NH2-OE1 3.15Å; R331-E383 IonicContact NH2-OE2 2.76Å; R331-E383 PolarHBondContact NH2-OE2 3.36Å; F378-E383 WeakPolarHBondContact CD2-O 3.31Å; S381-E383 PolarHBondContact O-N 3.19Å; S381-E383 PolarHBondContact OG-N 3.29Å; S381-E383 VanDerWaalsContact OG-N 3.11Å; E383-F385 PolarHBondContact O-N 3.43Å; E383-Y386 HydrophobicContact CB-CD2 3.82Å; E383-Y386 HydrophobicContact CB-CE2 3.82Å; E383-Y386 HydrophobicContact CG-CE2 4.29Å; E383-Y386 PolarHBondContact O-N 2.91Å; E383-Y386 VanDerWaalsContact O-N 3.1Å; E383-Y386 WeakPolarHBondContact OE1-CE2 3.27Å
384	Q	97.9	Very high	98.3	Very high	91 Å²	91	29.4 Å²	29.4	43%	0.425	16%	0.16	S	C	.	.	H	α-helix	trans	-54.2	-28.5	-178.4	-171.8	56.1	45.8	0	0	113.6	G382 Y386 A387 D388	G382-Q384 PolarHBondContact O-N 3.41Å; Q384-Y386 VanDerWaalsContact C-N 3.29Å; Q384-Y386 PolarHBondContact O-N 3.44Å; Q384-A387 PolarHBondContact O-N 3.09Å; Q384-A387 VanDerWaalsContact O-N 3.11Å; Q384-D388 PolarHBondContact NE2-OD1 3.12Å; Q384-D388 PolarHBondContact O-N 3.44Å
385	F	98.3	Very high	98.3	Very high	60 Å²	60	33.6 Å²	33.6	26%	0.263	18%	0.182	S	C	.	.	H	α-helix	trans	-47.2	-48.3	174.2	172.9	-101.3	0	0	0	112.9	R331 A334 E383 D388 V389	R331-F385 HydrophobicContact CB-CE1 4.33Å; R331-F385 HydrophobicContact CG-CE1 4.15Å; R331-F385 HydrophobicContact CG-CZ 4.37Å; A334-F385 HydrophobicContact CB-CE1 4.12Å; A334-F385 HydrophobicContact CB-CZ 3.58Å; E383-F385 PolarHBondContact O-N 3.43Å; F385-D388 PolarHBondContact O-N 2.74Å; F385-V389 HydrophobicContact CE1-CG2 4.39Å; F385-V389 HydrophobicContact CE2-CG2 4.3Å; F385-V389 HydrophobicContact CZ-CG2 4.18Å; F385-V389 WeakPolarHBondContact O-CG2 3.34Å; F385-V389 PolarHBondContact O-N 2.72Å; F385-V389 VanDerWaalsContact O-N 3.08Å
386	Y	98.8	Very high	98.2	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-72.2	-34.5	-177.3	-54.9	-69.1	0	0	0	112.3	L327 L330 R331 Y374 A377 S381 E383 Q384 D388 V389 A390	L327-Y386 WeakPolarHBondContact CB-OH 3.29Å; L327-Y386 HydrophobicContact CD2-CE1 4.48Å; L327-Y386 HydrophobicContact CD2-CE2 3.83Å; L327-Y386 PolarHBondContact O-OH 3.49Å; L330-Y386 HydrophobicContact CB-CD1 4.38Å; L330-Y386 HydrophobicContact CB-CE1 4.06Å; R331-Y386 PolarHBondContact NH2-OH 3.31Å; Y374-Y386 AromaticContact CD1-CD1 3.83Å; Y374-Y386 HydrophobicContact CD1-CD1 3.83Å; Y374-Y386 HydrophobicContact CE1-CD1 4.12Å; Y374-Y386 VanDerWaalsContact O-CB 3.28Å; Y374-Y386 WeakPolarHBondContact O-CB 3.31Å; A377-Y386 HydrophobicContact CB-CD1 3.95Å; A377-Y386 HydrophobicContact CB-CD2 3.99Å; A377-Y386 HydrophobicContact CB-CE1 4.45Å; A377-Y386 HydrophobicContact CB-CE2 4.49Å; A377-Y386 HydrophobicContact CB-CG 3.7Å; S381-Y386 VanDerWaalsContact OG-CD2 3.3Å; S381-Y386 WeakPolarHBondContact OG-CD2 3.49Å; S381-Y386 WeakPolarHBondContact OG-CE2 3.26Å; E383-Y386 HydrophobicContact CB-CD2 3.82Å; E383-Y386 HydrophobicContact CB-CE2 3.82Å; E383-Y386 HydrophobicContact CG-CE2 4.29Å; E383-Y386 PolarHBondContact O-N 2.91Å; E383-Y386 VanDerWaalsContact O-N 3.1Å; E383-Y386 WeakPolarHBondContact OE1-CE2 3.27Å; Q384-Y386 VanDerWaalsContact C-N 3.29Å; Q384-Y386 PolarHBondContact O-N 3.44Å; Y386-D388 VanDerWaalsContact C-N 3.29Å; Y386-D388 PolarHBondContact O-N 3.05Å; Y386-V389 PolarHBondContact O-N 3.11Å; Y386-A390 PolarHBondContact O-N 2.92Å
387	A	98.8	Very high	98.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-36.8	173.7	0	0	0	0	0	111.8	I375 F378 Q384 A390 K391 L553	I375-A387 HydrophobicContact CD1-CB 4.49Å; F378-A387 HydrophobicContact CB-CB 4.06Å; F378-A387 HydrophobicContact CD1-CB 4.01Å; F378-A387 HydrophobicContact CD2-CB 3.73Å; F378-A387 HydrophobicContact CE1-CB 4.38Å; F378-A387 HydrophobicContact CE2-CB 4.12Å; F378-A387 HydrophobicContact CG-CB 3.66Å; F378-A387 HydrophobicContact CZ-CB 4.42Å; Q384-A387 PolarHBondContact O-N 3.09Å; Q384-A387 VanDerWaalsContact O-N 3.11Å; A387-A390 PolarHBondContact O-N 3.49Å; A387-K391 WeakPolarHBondContact O-CG 3.07Å; A387-K391 PolarHBondContact O-N 3.37Å; A387-L553 HydrophobicContact CB-CD2 3.96Å
388	D	98.6	Very high	98.2	Very high	76 Å²	76	36.1 Å²	36.1	41%	0.406	20%	0.199	S	C	.	.	H	α-helix	trans	-70.9	-37.6	178.4	-65.8	-18.7	0	0	0	111.6	Q384 F385 Y386 K391 D392	Q384-D388 PolarHBondContact NE2-OD1 3.12Å; Q384-D388 PolarHBondContact O-N 3.44Å; F385-D388 PolarHBondContact O-N 2.74Å; Y386-D388 VanDerWaalsContact C-N 3.29Å; Y386-D388 PolarHBondContact O-N 3.05Å; D388-K391 PolarHBondContact O-N 3.43Å; D388-K391 IonicContact OD1-NZ 2.65Å; D388-K391 PolarHBondContact OD1-NZ 2.93Å; D388-D392 WeakPolarHBondContact O-CB 3.34Å; D388-D392 PolarHBondContact O-N 3.07Å
389	V	98.9	Very high	98.1	Very high	10 Å²	10	39.8 Å²	39.8	6%	0.061	21%	0.212	C	C	.	.	H	α-helix	trans	-65.9	-37	171.8	-179.4	0	0	0	0	111.8	A334 F346 Y374 F385 Y386 K391 D392 I393	A334-V389 HydrophobicContact CB-CG1 4.38Å; A334-V389 HydrophobicContact CB-CG2 3.96Å; F346-V389 HydrophobicContact CE2-CG1 3.71Å; F346-V389 HydrophobicContact CZ-CG1 3.84Å; Y374-V389 HydrophobicContact CD1-CB 3.8Å; Y374-V389 HydrophobicContact CD1-CG1 3.73Å; Y374-V389 HydrophobicContact CD2-CB 4.46Å; Y374-V389 HydrophobicContact CD2-CG1 3.67Å; Y374-V389 HydrophobicContact CE1-CB 4Å; Y374-V389 HydrophobicContact CE1-CG1 3.62Å; Y374-V389 HydrophobicContact CE1-CG2 4.35Å; Y374-V389 HydrophobicContact CE2-CG1 3.57Å; Y374-V389 HydrophobicContact CG-CB 4.08Å; Y374-V389 HydrophobicContact CG-CG1 3.78Å; F385-V389 HydrophobicContact CE1-CG2 4.39Å; F385-V389 HydrophobicContact CE2-CG2 4.3Å; F385-V389 HydrophobicContact CZ-CG2 4.18Å; F385-V389 WeakPolarHBondContact O-CG2 3.34Å; F385-V389 PolarHBondContact O-N 2.72Å; F385-V389 VanDerWaalsContact O-N 3.08Å; Y386-V389 PolarHBondContact O-N 3.11Å; V389-K391 VanDerWaalsContact C-N 3.35Å; V389-K391 PolarHBondContact O-N 3.39Å; V389-D392 WeakPolarHBondContact O-CB 3.25Å; V389-D392 PolarHBondContact O-N 3.07Å; V389-I393 HydrophobicContact CG1-CD1 4.31Å; V389-I393 WeakPolarHBondContact O-CG1 3.32Å; V389-I393 PolarHBondContact O-N 2.79Å; V389-I393 VanDerWaalsContact O-N 3.11Å
390	A	98.9	Very high	98	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.6	-41.4	173.6	0	0	0	0	0	112	I375 Y386 A387 L394 V549	I375-A390 HydrophobicContact CB-CB 4.19Å; Y386-A390 PolarHBondContact O-N 2.92Å; A387-A390 PolarHBondContact O-N 3.49Å; A390-L394 WeakPolarHBondContact O-CG 3.44Å; A390-L394 PolarHBondContact O-N 2.99Å; A390-V549 HydrophobicContact CB-CG1 4.41Å; A390-V549 HydrophobicContact CB-CG2 4.29Å
391	K	98.7	Very high	98	Very high	79 Å²	79	38.1 Å²	38.1	34%	0.343	20%	0.203	S	C	.	.	H	α-helix	trans	-66.1	-40.1	174.7	-68.2	168.7	-167.5	160.8	0	112.1	A387 D388 V389 I393 L394 L395 L553	A387-K391 WeakPolarHBondContact O-CG 3.07Å; A387-K391 PolarHBondContact O-N 3.37Å; D388-K391 PolarHBondContact O-N 3.43Å; D388-K391 IonicContact OD1-NZ 2.65Å; D388-K391 PolarHBondContact OD1-NZ 2.93Å; V389-K391 VanDerWaalsContact C-N 3.35Å; V389-K391 PolarHBondContact O-N 3.39Å; K391-I393 VanDerWaalsContact C-N 3.33Å; K391-I393 PolarHBondContact O-N 3.41Å; K391-L394 PolarHBondContact O-N 3.06Å; K391-L395 WeakPolarHBondContact O-CB 3.43Å; K391-L395 PolarHBondContact O-N 2.81Å; K391-L553 HydrophobicContact CD-CD1 4.14Å; K391-L553 HydrophobicContact CG-CD1 3.68Å
392	D	98.4	Very high	98	Very high	33 Å²	33	37.5 Å²	37.5	18%	0.176	20%	0.199	C	C	.	.	H	α-helix	trans	-53.4	-50.9	176.2	-179.5	104.7	0	0	0	110.8	H339 Q344 G345 D388 V389 L394 L395 Y396	H339-D392 IonicContact NE2-OD1 3.05Å; H339-D392 IonicContact NE2-OD2 2.78Å; H339-D392 PolarHBondContact NE2-OD2 3.2Å; Q344-D392 VanDerWaalsContact CA-OD2 3.29Å; Q344-D392 WeakPolarHBondContact CA-OD2 3.4Å; Q344-D392 WeakPolarHBondContact CB-OD2 3.37Å; Q344-D392 HydrophobicContact CG-CB 4.41Å; Q344-D392 WeakPolarHBondContact CG-OD1 3.25Å; Q344-D392 WeakPolarHBondContact CG-OD2 3.49Å; G345-D392 PolarHBondContact N-OD2 3.25Å; D388-D392 WeakPolarHBondContact O-CB 3.34Å; D388-D392 PolarHBondContact O-N 3.07Å; V389-D392 WeakPolarHBondContact O-CB 3.25Å; V389-D392 PolarHBondContact O-N 3.07Å; D392-L394 PolarHBondContact O-N 3.24Å; D392-L395 WeakPolarHBondContact O-CB 3.38Å; D392-L395 PolarHBondContact O-N 3.45Å; D392-Y396 PolarHBondContact O-N 3.07Å
393	I	98.9	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58	-49.8	177.1	-66.8	164.2	0	0	0	111.5	F346 Q367 L370 A371 Y374 V389 K391 L395 Y396 V397	F346-I393 HydrophobicContact CD2-CD1 3.87Å; F346-I393 HydrophobicContact CD2-CG1 3.75Å; F346-I393 HydrophobicContact CE2-CD1 3.74Å; F346-I393 HydrophobicContact CE2-CG1 3.8Å; Q367-I393 HydrophobicContact CB-CG2 3.68Å; Q367-I393 HydrophobicContact CG-CG2 4.35Å; Q367-I393 WeakPolarHBondContact O-CG2 3.49Å; L370-I393 HydrophobicContact CB-CD1 3.81Å; A371-I393 HydrophobicContact CB-CB 4.32Å; A371-I393 HydrophobicContact CB-CD1 4.35Å; A371-I393 HydrophobicContact CB-CG2 3.95Å; Y374-I393 HydrophobicContact CD2-CD1 3.74Å; Y374-I393 HydrophobicContact CE2-CD1 4.15Å; V389-I393 HydrophobicContact CG1-CD1 4.31Å; V389-I393 WeakPolarHBondContact O-CG1 3.32Å; V389-I393 PolarHBondContact O-N 2.79Å; V389-I393 VanDerWaalsContact O-N 3.11Å; K391-I393 VanDerWaalsContact C-N 3.33Å; K391-I393 PolarHBondContact O-N 3.41Å; I393-L395 VanDerWaalsContact C-N 3.27Å; I393-L395 PolarHBondContact O-N 3.26Å; I393-Y396 WeakPolarHBondContact O-CB 3.26Å; I393-Y396 PolarHBondContact O-N 3.36Å; I393-V397 HydrophobicContact CG2-CG2 4.48Å; I393-V397 WeakPolarHBondContact O-CG2 3.06Å; I393-V397 PolarHBondContact O-N 3.3Å
394	L	98.8	Very high	97.8	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-69.1	-26.6	-178.1	-63.7	-171	0	0	0	112.9	A371 A390 K391 D392 S398 M542 A545 F546 V549 L558	A371-L394 HydrophobicContact CB-CD2 4.06Å; A371-L394 HydrophobicContact CB-CG 4.42Å; A390-L394 WeakPolarHBondContact O-CG 3.44Å; A390-L394 PolarHBondContact O-N 2.99Å; K391-L394 PolarHBondContact O-N 3.06Å; D392-L394 PolarHBondContact O-N 3.24Å; L394-S398 VanDerWaalsContact O-CB 3.27Å; L394-S398 WeakPolarHBondContact O-CB 3.49Å; L394-S398 PolarHBondContact O-N 2.91Å; L394-S398 PolarHBondContact O-OG 3Å; L394-M542 HydrophobicContact CD2-SD 3.89Å; L394-A545 HydrophobicContact CD2-CB 4.29Å; L394-F546 HydrophobicContact CB-CE1 3.97Å; L394-F546 HydrophobicContact CB-CZ 4.07Å; L394-F546 HydrophobicContact CD1-CD1 3.92Å; L394-F546 HydrophobicContact CD1-CE1 4.11Å; L394-F546 HydrophobicContact CD1-CG 4.26Å; L394-F546 HydrophobicContact CD2-CD1 4.42Å; L394-F546 HydrophobicContact CD2-CD2 4Å; L394-F546 HydrophobicContact CD2-CE1 4.25Å; L394-F546 HydrophobicContact CD2-CE2 3.82Å; L394-F546 HydrophobicContact CD2-CG 4.29Å; L394-F546 HydrophobicContact CD2-CZ 3.95Å; L394-F546 HydrophobicContact CG-CE1 4.34Å; L394-F546 HydrophobicContact CG-CZ 4.43Å; L394-V549 HydrophobicContact CD1-CB 3.59Å; L394-V549 HydrophobicContact CD1-CG1 3.68Å; L394-V549 HydrophobicContact CD1-CG2 3.87Å; L394-L558 HydrophobicContact CB-CD2 4.34Å; L394-L558 HydrophobicContact CD1-CD1 4.04Å; L394-L558 HydrophobicContact CD1-CD2 4.07Å
395	L	98.4	Very high	97.7	Very high	89 Å²	89	37.2 Å²	37.2	47%	0.466	19%	0.185	S	C	.	.	H	α-helix	trans	-68.1	-45	172.7	-179	61.2	0	0	0	111.2	K391 D392 I393 S398 R399	K391-L395 WeakPolarHBondContact O-CB 3.43Å; K391-L395 PolarHBondContact O-N 2.81Å; D392-L395 WeakPolarHBondContact O-CB 3.38Å; D392-L395 PolarHBondContact O-N 3.45Å; I393-L395 VanDerWaalsContact C-N 3.27Å; I393-L395 PolarHBondContact O-N 3.26Å; L395-S398 PolarHBondContact O-N 3.29Å; L395-R399 WeakPolarHBondContact O-CB 3.45Å; L395-R399 PolarHBondContact O-N 3.47Å; L395-R399 VanDerWaalsContact O-N 3.08Å
396	Y	98.3	Very high	97.6	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-57.2	-51.3	172.1	164.3	-104.6	0	0	0	111.1	K362 Q367 D392 I393 S398 R399 D400 L401	K362-Y396 HydrophobicContact CB-CE1 4.25Å; K362-Y396 VanDerWaalsContact CB-OH 3.3Å; K362-Y396 WeakPolarHBondContact CB-OH 3.38Å; K362-Y396 HydrophobicContact CD-CE1 3.94Å; K362-Y396 HydrophobicContact CD-CE2 3.74Å; K362-Y396 VanDerWaalsContact CD-CZ 3.42Å; K362-Y396 WeakPolarHBondContact CD-OH 3.45Å; Q367-Y396 HydrophobicContact CG-CD1 4.05Å; Q367-Y396 HydrophobicContact CG-CE1 3.96Å; D392-Y396 PolarHBondContact O-N 3.07Å; I393-Y396 WeakPolarHBondContact O-CB 3.26Å; I393-Y396 PolarHBondContact O-N 3.36Å; Y396-S398 VanDerWaalsContact C-N 3.32Å; Y396-S398 PolarHBondContact O-N 3.38Å; Y396-R399 PolarHBondContact O-N 2.96Å; Y396-R399 VanDerWaalsContact O-N 3.12Å; Y396-D400 HydrophobicContact CD2-CB 4.03Å; Y396-D400 WeakPolarHBondContact CD2-OD2 3.48Å; Y396-D400 HydrophobicContact CE2-CB 3.68Å; Y396-D400 PolarHBondContact O-N 3.5Å; Y396-L401 HydrophobicContact CE1-CD1 3.6Å; Y396-L401 HydrophobicContact CE1-CG 3.92Å
397	V	98.7	Very high	97.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.1	-41.6	-178.7	173.8	0	0	0	0	111.8	L364 Q367 I393 R399 L401 S402 F408 M542 F546	L364-V397 HydrophobicContact CD1-CG1 4.05Å; Q367-V397 HydrophobicContact CB-CG2 3.71Å; Q367-V397 HydrophobicContact CG-CG2 3.83Å; I393-V397 HydrophobicContact CG2-CG2 4.48Å; I393-V397 WeakPolarHBondContact O-CG2 3.06Å; I393-V397 PolarHBondContact O-N 3.3Å; V397-R399 VanDerWaalsContact C-N 3.29Å; V397-R399 PolarHBondContact O-N 3.41Å; V397-L401 HydrophobicContact CG1-CB 4.36Å; V397-L401 CarbonylContact O-C 3.54Å; V397-L401 VanDerWaalsContact O-C 3.31Å; V397-L401 PolarHBondContact O-N 2.75Å; V397-L401 VanDerWaalsContact O-N 3.11Å; V397-S402 PolarHBondContact O-N 3.12Å; V397-S402 PolarHBondContact O-OG 3.04Å; V397-F408 HydrophobicContact CG1-CD1 3.53Å; V397-F408 HydrophobicContact CG1-CE1 3.63Å; V397-M542 HydrophobicContact CB-CE 4.24Å; V397-M542 HydrophobicContact CG1-CE 3.84Å; V397-M542 HydrophobicContact CG1-CG 4.09Å; V397-M542 HydrophobicContact CG1-SD 3.95Å; V397-M542 HydrophobicContact CG2-CE 3.51Å; V397-M542 HydrophobicContact CG2-SD 4.32Å; V397-F546 HydrophobicContact CG1-CE2 3.97Å; V397-F546 HydrophobicContact CG1-CZ 4.31Å
398	S	98.2	Very high	97.5	Very high	51 Å²	51	34.3 Å²	34.3	36%	0.357	17%	0.173	S	C	.	.	H	α-helix	trans	-64.3	-34.2	178.2	-60.8	0	0	0	0	112.4	L394 L395 Y396 S402 F546	L394-S398 VanDerWaalsContact O-CB 3.27Å; L394-S398 WeakPolarHBondContact O-CB 3.49Å; L394-S398 PolarHBondContact O-N 2.91Å; L394-S398 PolarHBondContact O-OG 3Å; L395-S398 PolarHBondContact O-N 3.29Å; Y396-S398 VanDerWaalsContact C-N 3.32Å; Y396-S398 PolarHBondContact O-N 3.38Å; S398-S402 WeakPolarHBondContact CA-OG 3.32Å; S398-S402 WeakPolarHBondContact O-CB 3.39Å; S398-F546 WeakPolarHBondContact OG-CZ 3.41Å
399	R	96.1	Very high	97.5	Very high	118 Å²	118	30.9 Å²	30.9	45%	0.445	16%	0.155	S	C	.	.	H	α-helix	trans	-85.3	-43.5	-177.1	-174.4	-176.6	64.5	-134.4	-9.5	113	A343 L395 Y396 V397	A343-R399 PolarHBondContact O-NH2 2.84Å; L395-R399 WeakPolarHBondContact O-CB 3.45Å; L395-R399 PolarHBondContact O-N 3.47Å; L395-R399 VanDerWaalsContact O-N 3.08Å; Y396-R399 PolarHBondContact O-N 2.96Å; Y396-R399 VanDerWaalsContact O-N 3.12Å; V397-R399 VanDerWaalsContact C-N 3.29Å; V397-R399 PolarHBondContact O-N 3.41Å
400	D	95.8	Very high	97.4	Very high	13 Å²	13	30.4 Å²	30.4	7%	0.07	15%	0.152	C	C	.	.	H	α-helix	trans	-114.1	-28.1	-164.3	-60.6	-65.6	0	0	0	114.1	Y396 R527	Y396-D400 HydrophobicContact CD2-CB 4.03Å; Y396-D400 WeakPolarHBondContact CD2-OD2 3.48Å; Y396-D400 HydrophobicContact CE2-CB 3.68Å; Y396-D400 PolarHBondContact O-N 3.5Å; D400-R527 IonicContact OD1-CZ 3.88Å; D400-R527 VanDerWaalsContact OD1-CZ 3.26Å; D400-R527 IonicContact OD1-NH1 2.63Å; D400-R527 PolarHBondContact OD1-NH1 2.57Å; D400-R527 IonicContact OD1-NH2 3.92Å; D400-R527 PolarHBondContact OD1-NH2 3.37Å
401	L	97.3	Very high	97.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-113.3	25.4	-178.2	-60.9	-175.1	0	0	0	113.2	L364 Y396 V397 F408 Y409 E412 L530	L364-L401 HydrophobicContact CD1-CB 4.38Å; L364-L401 HydrophobicContact CD1-CD1 4.17Å; Y396-L401 HydrophobicContact CE1-CD1 3.6Å; Y396-L401 HydrophobicContact CE1-CG 3.92Å; V397-L401 HydrophobicContact CG1-CB 4.36Å; V397-L401 CarbonylContact O-C 3.54Å; V397-L401 VanDerWaalsContact O-C 3.31Å; V397-L401 PolarHBondContact O-N 2.75Å; V397-L401 VanDerWaalsContact O-N 3.11Å; L401-F408 CarbonylContact O-C 3.55Å; L401-F408 WeakPolarHBondContact O-CA 3.45Å; L401-F408 WeakPolarHBondContact O-CB 3.3Å; L401-Y409 PolarHBondContact O-N 2.89Å; L401-E412 HydrophobicContact CD2-CB 4.46Å; L401-L530 HydrophobicContact CD2-CD1 3.63Å
402	S	96.8	Very high	97.1	Very high	27 Å²	27	26.9 Å²	26.9	19%	0.189	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-119.8	142.6	-178.5	-71.2	0	0	0	0	113.2	V397 S398 F408 Y409 R561	V397-S402 PolarHBondContact O-N 3.12Å; V397-S402 PolarHBondContact O-OG 3.04Å; S398-S402 WeakPolarHBondContact CA-OG 3.32Å; S398-S402 WeakPolarHBondContact O-CB 3.39Å; S402-F408 WeakPolarHBondContact OG-CD1 3.3Å; S402-Y409 VanDerWaalsContact O-CE2 3.22Å; S402-Y409 WeakPolarHBondContact O-CE2 3.34Å; S402-R561 PolarHBondContact OG-NH2 3.18Å
403	D	96.1	Very high	96.8	Very high	15 Å²	15	25.4 Å²	25.4	8%	0.08	13%	0.128	C	C	.	.			trans	-102.6	155.7	166.9	-172.9	-109.2	0	0	0	112.1	S405 G406 G407 Y409 M534 R587	D403-S405 PolarHBondContact O-N 3.13Å; D403-S405 WeakPolarHBondContact OD1-CB 3.24Å; D403-S405 PolarHBondContact OD1-N 2.65Å; D403-S405 PolarHBondContact OD1-OG 3.39Å; D403-G406 PolarHBondContact O-N 2.83Å; D403-G406 VanDerWaalsContact O-N 3.09Å; D403-G407 PolarHBondContact N-O 2.72Å; D403-Y409 HydrophobicContact CB-CE1 4.05Å; D403-Y409 HydrophobicContact CB-CE2 4.29Å; D403-Y409 WeakPolarHBondContact CB-OH 3.4Å; D403-Y409 PolarHBondContact OD2-OH 3.24Å; D403-M534 HydrophobicContact CB-SD 4.1Å; D403-R587 IonicContact OD2-CZ 3.26Å; D403-R587 IonicContact OD2-NE 3.2Å; D403-R587 PolarHBondContact OD2-NE 3.09Å; D403-R587 VanDerWaalsContact OD2-NE 3.16Å; D403-R587 IonicContact OD2-NH2 2.7Å; D403-R587 PolarHBondContact OD2-NH2 3.36Å
404	K	93.8	Very high	96.1	Very high	162 Å²	162	25.5 Å²	25.5	70%	0.704	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.2	179.2	-64.7	-177	-178.7	177.6	0	113.5	G406	K404-G406 PolarHBondContact O-N 2.99Å
405	S	95.3	Very high	95.6	Very high	42 Å²	42	25.6 Å²	25.6	29%	0.294	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-9.8	172.5	59.9	0	0	0	0	113.5	D403 F568	D403-S405 PolarHBondContact O-N 3.13Å; D403-S405 WeakPolarHBondContact OD1-CB 3.24Å; D403-S405 PolarHBondContact OD1-N 2.65Å; D403-S405 PolarHBondContact OD1-OG 3.39Å; S405-F568 WeakPolarHBondContact OG-CD2 3.28Å; S405-F568 WeakPolarHBondContact OG-CE2 3.43Å
406	G	96.6	Very high	95.2	Very high	3 Å²	3	21.5 Å²	21.5	3%	0.031	11%	0.108	C	C	.	.	S	Bend	trans	100.8	-9.6	-178.3	0	0	0	0	0	114	D403 K404 R561	D403-G406 PolarHBondContact O-N 2.83Å; D403-G406 VanDerWaalsContact O-N 3.09Å; K404-G406 PolarHBondContact O-N 2.99Å; G406-R561 VanDerWaalsContact O-CZ 3.32Å; G406-R561 PolarHBondContact O-NH1 2.83Å; G406-R561 PolarHBondContact O-NH2 2.84Å
407	G	97.6	Very high	94.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.			trans	-73.5	165.2	173.7	0	0	0	0	0	113.9	D403 R561 F568	D403-G407 PolarHBondContact N-O 2.72Å; G407-R561 PolarHBondContact O-NH2 2.86Å; G407-F568 VanDerWaalsContact CA-CE1 3.47Å; G407-F568 VanDerWaalsContact CA-CG 3.42Å; G407-F568 VanDerWaalsContact N-CG 3.26Å
408	F	98.6	Very high	94.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-119.4	133.9	175.3	-56.9	-78.8	0	0	0	111.3	L364 V397 L401 S402 M534 N539 M542 F546 R561 A565	L364-F408 HydrophobicContact CD1-CB 3.81Å; L364-F408 HydrophobicContact CD1-CG 4.33Å; L364-F408 HydrophobicContact CD2-CB 3.49Å; L364-F408 VanDerWaalsContact CD2-CB 3.49Å; L364-F408 HydrophobicContact CD2-CG 4.45Å; L364-F408 HydrophobicContact CG-CB 4.32Å; V397-F408 HydrophobicContact CG1-CD1 3.53Å; V397-F408 HydrophobicContact CG1-CE1 3.63Å; L401-F408 CarbonylContact O-C 3.55Å; L401-F408 WeakPolarHBondContact O-CA 3.45Å; L401-F408 WeakPolarHBondContact O-CB 3.3Å; S402-F408 WeakPolarHBondContact OG-CD1 3.3Å; F408-M534 VanDerWaalsContact O-CG 3.31Å; F408-M534 WeakPolarHBondContact O-CG 3.4Å; F408-N539 WeakPolarHBondContact CB-OD1 3.4Å; F408-N539 WeakPolarHBondContact CD2-OD1 3.11Å; F408-N539 PolarHBondContact N-OD1 2.95Å; F408-N539 PolarHBondContact O-ND2 3.28Å; F408-M542 HydrophobicContact CD1-CG 4.02Å; F408-M542 HydrophobicContact CD2-CB 3.87Å; F408-M542 HydrophobicContact CD2-CG 3.67Å; F408-M542 HydrophobicContact CE1-CG 3.87Å; F408-M542 HydrophobicContact CE2-CB 3.97Å; F408-M542 HydrophobicContact CE2-CG 3.51Å; F408-M542 HydrophobicContact CG-CB 4.39Å; F408-M542 HydrophobicContact CG-CG 3.92Å; F408-M542 HydrophobicContact CZ-CG 3.63Å; F408-F546 HydrophobicContact CE1-CD2 4.12Å; F408-F546 AromaticContact CE1-CE2 3.4Å; F408-F546 HydrophobicContact CE1-CE2 3.4Å; F408-F546 HydrophobicContact CE1-CZ 4.05Å; F408-F546 HydrophobicContact CE2-CD2 4.38Å; F408-F546 HydrophobicContact CE2-CE2 4.42Å; F408-F546 AromaticContact CZ-CD2 3.55Å; F408-F546 HydrophobicContact CZ-CD2 3.55Å; F408-F546 AromaticContact CZ-CE2 3.33Å; F408-F546 HydrophobicContact CZ-CE2 3.33Å; F408-F546 HydrophobicContact CZ-CZ 4.22Å; F408-R561 VanDerWaalsContact CD1-NH2 3.26Å; F408-R561 HydrophobicContact CZ-CG 4.47Å; F408-R561 VanDerWaalsContact CZ-NH1 3.3Å; F408-R561 VanDerWaalsContact CZ-NH2 3.3Å; F408-A565 HydrophobicContact CD2-CB 4.37Å; F408-A565 HydrophobicContact CE2-CB 3.51Å; F408-A565 HydrophobicContact CZ-CB 4.18Å
409	Y	98	Very high	93.7	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.016	14%	0.143	C	C	.	.			trans	-72.2	152.7	175.5	-59.6	-52	0	0	0	111.8	L364 L401 S402 D403 L530 D531 T532 K533 M534 R587	L364-Y409 WeakPolarHBondContact CD2-O 3.39Å; L401-Y409 PolarHBondContact O-N 2.89Å; S402-Y409 VanDerWaalsContact O-CE2 3.22Å; S402-Y409 WeakPolarHBondContact O-CE2 3.34Å; D403-Y409 HydrophobicContact CB-CE1 4.05Å; D403-Y409 HydrophobicContact CB-CE2 4.29Å; D403-Y409 WeakPolarHBondContact CB-OH 3.4Å; D403-Y409 PolarHBondContact OD2-OH 3.24Å; Y409-L530 HydrophobicContact CD2-CD1 4.15Å; Y409-L530 HydrophobicContact CD2-CD2 3.65Å; Y409-L530 HydrophobicContact CD2-CG 4.22Å; Y409-L530 HydrophobicContact CE2-CD2 3.84Å; Y409-L530 HydrophobicContact CG-CD1 4.36Å; Y409-L530 HydrophobicContact CG-CD2 4.24Å; Y409-L530 HydrophobicContact CG-CG 4.4Å; Y409-D531 WeakPolarHBondContact CB-O 3.16Å; Y409-T532 VanDerWaalsContact CD1-CA 3.44Å; Y409-T532 HydrophobicContact CD1-CG2 4.32Å; Y409-T532 WeakPolarHBondContact CD1-O 3.25Å; Y409-T532 HydrophobicContact CE1-CG2 4.13Å; Y409-K533 CarbonylContact C-O 3.53Å; Y409-M534 HydrophobicContact CD1-CG 3.9Å; Y409-M534 HydrophobicContact CD1-SD 4.28Å; Y409-M534 HydrophobicContact CE1-CG 4.37Å; Y409-M534 HydrophobicContact CE1-SD 4.22Å; Y409-R587 HydrophobicContact CE1-CB 4.41Å; Y409-R587 VanDerWaalsContact OH-CD 3.31Å; Y409-R587 WeakPolarHBondContact OH-CD 3.36Å; Y409-R587 PolarHBondContact OH-NE 3.33Å; Y409-R587 PolarHBondContact OH-NH1 2.88Å
410	S	96.8	Very high	93.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-74.2	-42.7	-168.8	67.5	0	0	0	0	112.7	E171 L364 D531 K533 W538	E171-S410 PolarHBondContact OE2-OG 3.2Å; L364-S410 VanDerWaalsContact CB-O 3.27Å; L364-S410 WeakPolarHBondContact CB-O 3.28Å; L364-S410 PolarHBondContact N-O 3.4Å; S410-D531 PolarHBondContact N-O 3.03Å; S410-D531 WeakPolarHBondContact OG-CB 3.35Å; S410-D531 PolarHBondContact OG-O 3.44Å; S410-D531 PolarHBondContact OG-OD1 3.32Å; S410-K533 VanDerWaalsContact CB-O 3.25Å; S410-K533 WeakPolarHBondContact CB-O 3.39Å; S410-K533 PolarHBondContact N-O 3.49Å; S410-W538 VanDerWaalsContact CB-CZ3 3.49Å; S410-W538 VanDerWaalsContact O-CZ3 3.31Å; S410-W538 WeakPolarHBondContact O-CZ3 3.44Å
411	A	96.2	Very high	92.3	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	162.1	-175.6	0	0	0	0	0	115.3	T138 K362 M363 D531	T138-A411 HydrophobicContact CG2-CB 3.54Å; K362-A411 VanDerWaalsContact O-CA 3.26Å; K362-A411 WeakPolarHBondContact O-CA 3.14Å; M363-A411 HydrophobicContact CE-CB 3.8Å; M363-A411 HydrophobicContact SD-CB 3.65Å; A411-D531 PolarHBondContact O-N 3.5Å
412	E	94.8	Very high	91.5	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.023	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.1	164.7	-172.8	176.1	-114.5	0	0	109.6	E361 K362 L401 R527 P528	E361-E412 WeakPolarHBondContact CA-O 3.46Å; K362-E412 HydrophobicContact CB-CB 4.44Å; K362-E412 PolarHBondContact N-O 3.47Å; K362-E412 VanDerWaalsContact N-O 3.1Å; K362-E412 PolarHBondContact O-N 2.97Å; L401-E412 HydrophobicContact CD2-CB 4.46Å; E412-R527 IonicContact OE1-CZ 3.08Å; E412-R527 IonicContact OE1-NE 2.78Å; E412-R527 IonicContact OE1-NH2 2.68Å; E412-R527 PolarHBondContact OE1-NH2 3.49Å; E412-P528 HydrophobicContact CG-CB 3.84Å; E412-P528 HydrophobicContact CG-CG 3.98Å
413	D	91.1	Very high	90.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	24%	0.24	C	C	.	.			trans	-60.7	146.6	-176.3	-165.5	0.5	0	0	0	112.2	T138 H143 D415 K425 P528 H529	T138-D413 HydrophobicContact CG2-CB 4.23Å; H143-D413 IonicContact CD2-OD1 2.76Å; H143-D413 IonicContact NE2-OD1 2.75Å; H143-D413 PolarHBondContact NE2-OD1 2.95Å; H143-D413 IonicContact NE2-OD2 3.22Å; H143-D413 PolarHBondContact NE2-OD2 3.04Å; D413-D415 VanDerWaalsContact C-N 3.25Å; D413-D415 PolarHBondContact OD1-N 3.01Å; D413-K425 IonicContact OD2-NZ 3.83Å; D413-K425 PolarHBondContact OD2-NZ 2.7Å; D413-P528 HydrophobicContact CB-CB 3.96Å; D413-P528 WeakPolarHBondContact O-CB 3.33Å; D413-H529 HydrophobicContact CB-CB 3.93Å; D413-H529 WeakPolarHBondContact CB-O 3.5Å; D413-H529 PolarHBondContact N-O 2.84Å
414	A	85.4	Confident	90	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.017	27%	0.268	C	S	.	.	S	Bend	trans	-69.3	-29.8	171.9	0	0	0	0	0	111.6	H140 F360 E361 E427 G428	H140-A414 HydrophobicContact CB-CB 4.38Å; F360-A414 HydrophobicContact CB-CB 4.3Å; E361-A414 HydrophobicContact CB-CB 4.09Å; A414-E427 HydrophobicContact CB-CG 4.45Å; A414-G428 PolarHBondContact O-N 3.4Å
415	D	88.1	Confident	89.6	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.9	-167.9	-76.1	23.5	0	0	0	112.1	H140 H143 D413 K425 E427	H140-D415 IonicContact CE1-OD1 3.79Å; H140-D415 IonicContact CG-OD1 3.99Å; H140-D415 IonicContact ND1-OD1 3.75Å; H140-D415 PolarHBondContact ND1-OD1 2.85Å; H140-D415 IonicContact ND1-OD2 3.67Å; H140-D415 PolarHBondContact ND1-OD2 2.96Å; H143-D415 IonicContact CD2-OD2 3Å; D413-D415 VanDerWaalsContact C-N 3.25Å; D413-D415 PolarHBondContact OD1-N 3.01Å; D415-K425 HydrophobicContact CB-CB 3.97Å; D415-K425 HydrophobicContact CB-CD 3.91Å; D415-E427 WeakPolarHBondContact OD1-CA 3.41Å
416	S	90.3	Very high	89.4	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.014	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	160.8	176.2	49.8	0	0	0	0	111	K425 R426 F430	S416-K425 CarbonylContact O-C 3.42Å; S416-K425 WeakPolarHBondContact O-CA 3.5Å; S416-R426 PolarHBondContact N-O 3.41Å; S416-R426 VanDerWaalsContact N-O 3.12Å; S416-R426 PolarHBondContact O-N 3.47Å; S416-F430 VanDerWaalsContact OG-CB 3.32Å; S416-F430 WeakPolarHBondContact OG-CB 3.38Å; S416-F430 PolarHBondContact OG-N 3.37Å
417	V	91.3	Very high	89.1	Confident	29 Å²	29	44.1 Å²	44.1	18%	0.176	26%	0.258	C	S	.	.			trans	-77.9	129.3	176.7	-174.2	0	0	0	0	109.1	T419 G422 K425 P526	V417-T419 VanDerWaalsContact C-N 3.26Å; V417-T419 WeakPolarHBondContact CG1-O 3.48Å; V417-T419 PolarHBondContact O-N 3.46Å; V417-G422 VanDerWaalsContact CG1-C 3.47Å; V417-G422 VanDerWaalsContact CG1-CA 3.42Å; V417-G422 WeakPolarHBondContact CG1-O 3.45Å; V417-K425 HydrophobicContact CG2-CG 4.1Å; V417-P526 HydrophobicContact CB-CB 4.24Å; V417-P526 HydrophobicContact CB-CG 4.49Å; V417-P526 WeakPolarHBondContact O-CB 3.35Å; V417-P526 WeakPolarHBondContact O-CG 3.26Å
418	P	87.1	Confident	88.7	Confident	58 Å²	58	44.1 Å²	44.1	38%	0.377	26%	0.259	S	S	.	.	S	Bend	trans	-63.9	-26.5	-177.9	-23.9	32.9	0	0	0	115.1	E424 R426 A429	P418-E424 VanDerWaalsContact CD-O 3.31Å; P418-E424 WeakPolarHBondContact CD-O 3.4Å; P418-R426 HydrophobicContact CG-CB 4.29Å; P418-R426 HydrophobicContact CG-CG 4Å; P418-A429 HydrophobicContact CB-CB 4.24Å; P418-A429 HydrophobicContact CG-CB 3.91Å
419	T	85.4	Confident	88.5	Confident	88 Å²	88	45 Å²	45	54%	0.54	27%	0.266	S	S	.	.	S	Bend	trans	-138.9	144.4	-177.6	52.9	0	0	0	0	110.9	V417 G421 G422	V417-T419 VanDerWaalsContact C-N 3.26Å; V417-T419 WeakPolarHBondContact CG1-O 3.48Å; V417-T419 PolarHBondContact O-N 3.46Å; T419-G421 PolarHBondContact O-N 3.3Å; T419-G422 PolarHBondContact O-N 3.12Å
420	P	83.4	Confident	88.3	Confident	105 Å²	105	45.3 Å²	45.3	68%	0.682	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	130	175.2	-25.8	34.8	0	0	0	111.8	G422 P526	P420-G422 VanDerWaalsContact C-N 3.32Å; P420-P526 HydrophobicContact CG-CG 4.11Å
421	G	77.9	Confident	88.2	Confident	83 Å²	83	46.1 Å²	46.1	86%	0.856	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	0.2	-178.4	0	0	0	0	0	115.5	T419	T419-G421 PolarHBondContact O-N 3.3Å
422	G	80.3	Confident	88.2	Confident	30 Å²	30	46.4 Å²	46.4	31%	0.309	27%	0.274	S	S	.	.			trans	-68.3	156.5	168.5	0	0	0	0	0	112.3	V417 T419 P420	V417-G422 VanDerWaalsContact CG1-C 3.47Å; V417-G422 VanDerWaalsContact CG1-CA 3.42Å; V417-G422 WeakPolarHBondContact CG1-O 3.45Å; T419-G422 PolarHBondContact O-N 3.12Å; P420-G422 VanDerWaalsContact C-N 3.32Å
423	L	77.8	Confident	88.3	Confident	171 Å²	171	46.1 Å²	46.1	90%	0.895	27%	0.273	S	S	*	.	S	Bend	trans	-105.5	-24	-179.1	-63.9	173.2	0	0	0	113
424	E	83.6	Confident	88.6	Confident	145 Å²	145	47.4 Å²	47.4	68%	0.678	28%	0.281	S	S	*	.			trans	-97.8	120.4	-178	-67.2	-175.9	173	0	0	110.3	P418	P418-E424 VanDerWaalsContact CD-O 3.31Å; P418-E424 WeakPolarHBondContact CD-O 3.4Å
425	K	87.3	Confident	89.2	Confident	74 Å²	74	47.4 Å²	47.4	32%	0.322	28%	0.281	S	S	.	.			trans	-76.7	152.2	168	-60.2	-175.4	174.2	-174.9	0	110.4	D413 D415 S416 V417	D413-K425 IonicContact OD2-NZ 3.83Å; D413-K425 PolarHBondContact OD2-NZ 2.7Å; D415-K425 HydrophobicContact CB-CB 3.97Å; D415-K425 HydrophobicContact CB-CD 3.91Å; S416-K425 CarbonylContact O-C 3.42Å; S416-K425 WeakPolarHBondContact O-CA 3.5Å; V417-K425 HydrophobicContact CG2-CG 4.1Å
426	R	89.2	Confident	89.7	Confident	105 Å²	105	50.1 Å²	50.1	40%	0.396	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.9	171	-61.1	-175	-177.9	-147.3	-5.1	109.4	S416 P418 G428 A429 E480	S416-R426 PolarHBondContact N-O 3.41Å; S416-R426 VanDerWaalsContact N-O 3.12Å; S416-R426 PolarHBondContact O-N 3.47Å; P418-R426 HydrophobicContact CG-CB 4.29Å; P418-R426 HydrophobicContact CG-CG 4Å; R426-G428 PolarHBondContact O-N 3.49Å; R426-A429 HydrophobicContact CB-CB 4.2Å; R426-A429 PolarHBondContact O-N 2.88Å; R426-E480 HydrophobicContact CB-CB 4.31Å; R426-E480 HydrophobicContact CB-CG 4.47Å
427	E	90.4	Very high	90	Very high	20 Å²	20	52.6 Å²	52.6	9%	0.093	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	131.5	176	-179.9	162	-139.6	0	0	110.5	H140 H359 F360 A414 D415 A429 E480 L481	H140-E427 IonicContact CD2-OE2 2.75Å; H140-E427 IonicContact CG-OE2 2.67Å; H359-E427 WeakPolarHBondContact CA-OE1 3.44Å; H359-E427 IonicContact CE1-OE1 2.69Å; H359-E427 IonicContact CE1-OE2 3.62Å; H359-E427 IonicContact CG-OE1 2.72Å; H359-E427 IonicContact ND1-OE1 3.61Å; H359-E427 PolarHBondContact ND1-OE1 3Å; H359-E427 IonicContact ND1-OE2 2.8Å; F360-E427 HydrophobicContact CD2-CG 3.68Å; F360-E427 HydrophobicContact CE2-CG 4.38Å; A414-E427 HydrophobicContact CB-CG 4.45Å; D415-E427 WeakPolarHBondContact OD1-CA 3.41Å; E427-A429 PolarHBondContact O-N 3.07Å; E427-E480 WeakPolarHBondContact CB-OE2 3.43Å; E427-E480 PolarHBondContact N-OE2 3.34Å; E427-L481 WeakPolarHBondContact O-CD2 3.06Å
428	G	90.9	Very high	90.4	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.01	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	4.5	174.4	0	0	0	0	0	116.1	F360 A414 R426 F430 C431 V432	F360-G428 VanDerWaalsContact CD2-CA 3.41Å; A414-G428 PolarHBondContact O-N 3.4Å; R426-G428 PolarHBondContact O-N 3.49Å; G428-F430 PolarHBondContact O-N 3.39Å; G428-F430 VanDerWaalsContact O-N 3.1Å; G428-C431 WeakPolarHBondContact O-CA 3.36Å; G428-C431 PolarHBondContact O-N 3.18Å; G428-V432 WeakPolarHBondContact O-CG2 3.28Å; G428-V432 PolarHBondContact O-N 2.99Å; G428-V432 VanDerWaalsContact O-N 3.08Å
429	A	93.3	Very high	90.9	Very high	18 Å²	18	52.7 Å²	52.7	15%	0.149	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-34.9	-175.5	0	0	0	0	0	113.6	P418 R426 E427 C431	P418-A429 HydrophobicContact CB-CB 4.24Å; P418-A429 HydrophobicContact CG-CB 3.91Å; R426-A429 HydrophobicContact CB-CB 4.2Å; R426-A429 PolarHBondContact O-N 2.88Å; E427-A429 PolarHBondContact O-N 3.07Å; A429-C431 VanDerWaalsContact C-N 3.31Å; A429-C431 PolarHBondContact O-N 2.87Å
430	F	94	Very high	91.5	Very high	11 Å²	11	55.8 Å²	55.8	5%	0.048	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-42.7	172.8	-173.8	-132.8	0	0	0	111	S416 G428 R522 R525 P526 R527 P528	S416-F430 VanDerWaalsContact OG-CB 3.32Å; S416-F430 WeakPolarHBondContact OG-CB 3.38Å; S416-F430 PolarHBondContact OG-N 3.37Å; G428-F430 PolarHBondContact O-N 3.39Å; G428-F430 VanDerWaalsContact O-N 3.1Å; F430-R522 WeakPolarHBondContact CE2-O 3.34Å; F430-R522 VanDerWaalsContact O-CD 3.24Å; F430-R522 WeakPolarHBondContact O-CD 3.48Å; F430-R522 PolarHBondContact O-NH1 3.45Å; F430-R525 HydrophobicContact CD2-CB 3.77Å; F430-R525 HydrophobicContact CE2-CB 3.98Å; F430-R525 WeakPolarHBondContact O-CD 3.41Å; F430-R525 PolarHBondContact O-NH1 2.91Å; F430-P526 WeakPolarHBondContact CD2-O 3.15Å; F430-R527 HydrophobicContact CE2-CG 4.06Å; F430-R527 HydrophobicContact CZ-CG 4.13Å; F430-P528 HydrophobicContact CB-CG 3.87Å; F430-P528 HydrophobicContact CD1-CG 3.49Å; F430-P528 VanDerWaalsContact CD1-CG 3.49Å; F430-P528 HydrophobicContact CE1-CG 4.31Å; F430-P528 VanDerWaalsContact CG-CD 3.49Å; F430-P528 HydrophobicContact CG-CG 3.86Å
431	C	95.1	Very high	92.2	Very high	16 Å²	16	52.8 Å²	52.8	11%	0.108	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-26.7	-162.3	-58	0	0	0	0	115	F360 G428 A429 W433 R522	F360-C431 HydrophobicContact CD1-CB 3.6Å; F360-C431 HydrophobicContact CE1-CB 3.59Å; G428-C431 WeakPolarHBondContact O-CA 3.36Å; G428-C431 PolarHBondContact O-N 3.18Å; A429-C431 VanDerWaalsContact C-N 3.31Å; A429-C431 PolarHBondContact O-N 2.87Å; C431-W433 VanDerWaalsContact O-CD1 3.25Å; C431-W433 PolarHBondContact O-NE1 3.18Å; C431-R522 PolarHBondContact SG-NH1 2.96Å
432	V	96.3	Very high	93.1	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.036	25%	0.247	C	C	.	.			trans	-91.9	162.1	-171.5	-58.7	0	0	0	0	113.6	F360 G428 L481 K484 V486 R525	F360-V432 HydrophobicContact CE1-CG1 3.9Å; F360-V432 HydrophobicContact CE2-CG1 4.5Å; F360-V432 HydrophobicContact CZ-CG1 3.56Å; G428-V432 WeakPolarHBondContact O-CG2 3.28Å; G428-V432 PolarHBondContact O-N 2.99Å; G428-V432 VanDerWaalsContact O-N 3.08Å; V432-L481 HydrophobicContact CG1-CD2 3.98Å; V432-L481 HydrophobicContact CG2-CD2 4.27Å; V432-K484 HydrophobicContact CB-CB 3.95Å; V432-K484 HydrophobicContact CG2-CB 3.74Å; V432-K484 HydrophobicContact CG2-CD 4.05Å; V432-K484 HydrophobicContact CG2-CG 3.78Å; V432-V486 HydrophobicContact CG1-CG2 3.93Å; V432-R525 PolarHBondContact O-NH1 3.4Å
433	W	97.1	Very high	94	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-136.1	141.9	-172.5	-56.7	85.5	0	0	0	112.6	I342 C431 E437 V438 L441 K484 N485 M518 V521 R522 R525	I342-W433 HydrophobicContact CG1-CZ2 4.44Å; C431-W433 VanDerWaalsContact O-CD1 3.25Å; C431-W433 PolarHBondContact O-NE1 3.18Å; W433-E437 HydrophobicContact CE3-CB 4.33Å; W433-V438 HydrophobicContact CB-CG2 4.03Å; W433-L441 HydrophobicContact CE3-CD1 4.23Å; W433-L441 HydrophobicContact CH2-CD1 4.36Å; W433-L441 HydrophobicContact CZ3-CD1 3.53Å; W433-K484 CarbonylContact O-C 3.58Å; W433-N485 PolarHBondContact N-O 2.91Å; W433-N485 VanDerWaalsContact N-O 3.11Å; W433-N485 WeakPolarHBondContact O-CA 3.34Å; W433-N485 VanDerWaalsContact O-CB 3.29Å; W433-N485 WeakPolarHBondContact O-CB 3.45Å; W433-N485 PolarHBondContact O-N 2.94Å; W433-N485 PolarHBondContact O-ND2 3.22Å; W433-N485 VanDerWaalsContact O-ND2 3.12Å; W433-M518 HydrophobicContact CD2-CE 3.34Å; W433-M518 HydrophobicContact CE3-CE 3.73Å; W433-M518 HydrophobicContact CG-CE 3.8Å; W433-M518 HydrophobicContact CH2-CB 3.94Å; W433-M518 HydrophobicContact CH2-CE 3.97Å; W433-M518 HydrophobicContact CH2-CG 4.33Å; W433-M518 HydrophobicContact CZ2-CB 4.01Å; W433-M518 HydrophobicContact CZ2-CE 3.6Å; W433-M518 HydrophobicContact CZ3-CE 4.03Å; W433-V521 HydrophobicContact CH2-CB 4.15Å; W433-V521 HydrophobicContact CH2-CG1 4.05Å; W433-V521 HydrophobicContact CZ3-CB 4.46Å; W433-V521 HydrophobicContact CZ3-CG1 4.06Å; W433-R522 HydrophobicContact CH2-CG 4.21Å; W433-R522 HydrophobicContact CZ2-CG 3.82Å; W433-R525 VanDerWaalsContact CE3-NH2 3.25Å; W433-R525 VanDerWaalsContact CZ3-NH2 3.3Å
434	T	97.6	Very high	94.9	Very high	27 Å²	27	46.5 Å²	46.5	17%	0.166	23%	0.232	C	C	.	.			trans	-81.3	154.1	161.9	60.7	0	0	0	0	110	S436 E437 V438 K484	T434-S436 VanDerWaalsContact C-N 3.25Å; T434-S436 PolarHBondContact O-N 2.79Å; T434-S436 PolarHBondContact OG1-OG 2.98Å; T434-S436 VanDerWaalsContact OG1-OG 3.05Å; T434-E437 WeakPolarHBondContact CB-OE2 3.34Å; T434-E437 PolarHBondContact N-OE2 2.89Å; T434-E437 PolarHBondContact O-N 3.38Å; T434-E437 WeakPolarHBondContact OG1-CB 3.46Å; T434-E437 VanDerWaalsContact OG1-CD 3.3Å; T434-E437 WeakPolarHBondContact OG1-CG 3.3Å; T434-E437 PolarHBondContact OG1-N 3.44Å; T434-E437 VanDerWaalsContact OG1-N 3.13Å; T434-E437 PolarHBondContact OG1-OE2 3.34Å; T434-V438 PolarHBondContact O-N 3.42Å; T434-K484 HydrophobicContact CG2-CD 3.84Å
435	A	98.3	Very high	95.6	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-36.1	173.9	0	0	0	0	0	112	V438 R439 M460 V465 E467	A435-V438 PolarHBondContact O-N 2.92Å; A435-R439 WeakPolarHBondContact O-CG 3.37Å; A435-R439 PolarHBondContact O-N 3.49Å; A435-M460 HydrophobicContact CB-CE 3.76Å; A435-V465 HydrophobicContact CB-CG1 4.18Å; A435-E467 VanDerWaalsContact CB-OE2 3.28Å; A435-E467 WeakPolarHBondContact CB-OE2 3.28Å
436	S	98	Very high	96	Very high	62 Å²	62	41.2 Å²	41.2	43%	0.434	22%	0.215	S	C	.	.	H	α-helix	trans	-60.9	-45.3	175.3	49.8	0	0	0	0	112.3	T434 V438 R439 E440	T434-S436 VanDerWaalsContact C-N 3.25Å; T434-S436 PolarHBondContact O-N 2.79Å; T434-S436 PolarHBondContact OG1-OG 2.98Å; T434-S436 VanDerWaalsContact OG1-OG 3.05Å; S436-V438 VanDerWaalsContact C-N 3.31Å; S436-V438 PolarHBondContact O-N 2.9Å; S436-R439 PolarHBondContact O-N 3.13Å; S436-E440 WeakPolarHBondContact O-CB 3.41Å; S436-E440 WeakPolarHBondContact O-CG 3.28Å; S436-E440 PolarHBondContact O-N 3.08Å
437	E	97	Very high	96.2	Very high	54 Å²	54	45.2 Å²	45.2	25%	0.252	24%	0.238	S	C	.	.	H	α-helix	trans	-58.2	-43.8	175.3	-77.8	166.5	123	0	0	111.2	W433 T434 R439 E440 L441 R525	W433-E437 HydrophobicContact CE3-CB 4.33Å; T434-E437 WeakPolarHBondContact CB-OE2 3.34Å; T434-E437 PolarHBondContact N-OE2 2.89Å; T434-E437 PolarHBondContact O-N 3.38Å; T434-E437 WeakPolarHBondContact OG1-CB 3.46Å; T434-E437 VanDerWaalsContact OG1-CD 3.3Å; T434-E437 WeakPolarHBondContact OG1-CG 3.3Å; T434-E437 PolarHBondContact OG1-N 3.44Å; T434-E437 VanDerWaalsContact OG1-N 3.13Å; T434-E437 PolarHBondContact OG1-OE2 3.34Å; E437-R439 PolarHBondContact O-N 3.34Å; E437-E440 PolarHBondContact O-N 3.06Å; E437-L441 VanDerWaalsContact O-CB 3.3Å; E437-L441 WeakPolarHBondContact O-CB 3.22Å; E437-L441 WeakPolarHBondContact O-CG 3.39Å; E437-L441 PolarHBondContact O-N 2.94Å; E437-R525 IonicContact OE1-NH2 2.75Å; E437-R525 PolarHBondContact OE1-NH2 3.07Å; E437-R525 IonicContact OE2-NH2 3.5Å
438	V	98.3	Very high	96.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-42.6	178.4	177.6	0	0	0	0	111.4	W433 T434 A435 S436 L441 L442 A456 F459 M460 V465 M518	W433-V438 HydrophobicContact CB-CG2 4.03Å; T434-V438 PolarHBondContact O-N 3.42Å; A435-V438 PolarHBondContact O-N 2.92Å; S436-V438 VanDerWaalsContact C-N 3.31Å; S436-V438 PolarHBondContact O-N 2.9Å; V438-L441 PolarHBondContact O-N 3.42Å; V438-L442 HydrophobicContact CG1-CD1 4.1Å; V438-L442 WeakPolarHBondContact O-CB 3.29Å; V438-L442 PolarHBondContact O-N 2.67Å; V438-A456 HydrophobicContact CG1-CB 4.37Å; V438-F459 HydrophobicContact CG1-CD1 3.7Å; V438-F459 HydrophobicContact CG1-CE1 4.26Å; V438-M460 HydrophobicContact CB-CG 4.4Å; V438-M460 HydrophobicContact CG1-CG 3.71Å; V438-M460 HydrophobicContact CG1-SD 4.35Å; V438-V465 HydrophobicContact CG2-CG1 4.49Å; V438-M518 HydrophobicContact CG2-CE 4.32Å
439	R	98.4	Very high	96.2	Very high	89 Å²	89	47.9 Å²	47.9	34%	0.336	27%	0.271	S	S	.	.	H	α-helix	trans	-66.1	-42.4	178.6	-71.3	-175.2	-179.5	-66.9	-0.8	112.8	A435 S436 E437 L441 A456 D457 M460 E467	A435-R439 WeakPolarHBondContact O-CG 3.37Å; A435-R439 PolarHBondContact O-N 3.49Å; S436-R439 PolarHBondContact O-N 3.13Å; E437-R439 PolarHBondContact O-N 3.34Å; R439-L441 VanDerWaalsContact C-N 3.31Å; R439-A456 HydrophobicContact CB-CB 4.44Å; R439-A456 HydrophobicContact CG-CB 4.12Å; R439-D457 IonicContact CZ-OD1 3.71Å; R439-D457 IonicContact NH1-OD1 3.2Å; R439-D457 PolarHBondContact NH1-OD1 3.41Å; R439-D457 IonicContact NH2-OD1 3.98Å; R439-M460 HydrophobicContact CG-SD 3.91Å; R439-E467 IonicContact CZ-OE1 3.15Å; R439-E467 IonicContact NE-OE1 2.92Å; R439-E467 PolarHBondContact NE-OE1 3.22Å; R439-E467 IonicContact NH2-OE1 3.89Å; R439-E467 PolarHBondContact NH2-OE1 3.11Å
440	E	97.8	Very high	96.1	Very high	152 Å²	152	51.8 Å²	51.8	71%	0.71	29%	0.292	S	S	*	.	H	α-helix	trans	-65.2	-37.1	176.6	-73.5	174.1	-171.3	0	0	111.7	S436 E437 P443	S436-E440 WeakPolarHBondContact O-CB 3.41Å; S436-E440 WeakPolarHBondContact O-CG 3.28Å; S436-E440 PolarHBondContact O-N 3.08Å; E437-E440 PolarHBondContact O-N 3.06Å; E440-P443 WeakPolarHBondContact O-CD 3.4Å
441	L	97.6	Very high	95.9	Very high	42 Å²	42	54.9 Å²	54.9	22%	0.22	33%	0.328	C	S	.	.	H	α-helix	trans	-78.9	-27.3	-179	-71.2	173.5	0	0	0	113.8	W433 E437 V438 R439 P443 R517 V521	W433-L441 HydrophobicContact CE3-CD1 4.23Å; W433-L441 HydrophobicContact CH2-CD1 4.36Å; W433-L441 HydrophobicContact CZ3-CD1 3.53Å; E437-L441 VanDerWaalsContact O-CB 3.3Å; E437-L441 WeakPolarHBondContact O-CB 3.22Å; E437-L441 WeakPolarHBondContact O-CG 3.39Å; E437-L441 PolarHBondContact O-N 2.94Å; V438-L441 PolarHBondContact O-N 3.42Å; R439-L441 VanDerWaalsContact C-N 3.31Å; L441-P443 WeakPolarHBondContact O-CD 3.3Å; L441-R517 PolarHBondContact O-NE 2.74Å; L441-R517 PolarHBondContact O-NH2 3.35Å; L441-V521 HydrophobicContact CD1-CB 4.46Å; L441-V521 HydrophobicContact CD1-CG1 4.5Å; L441-V521 HydrophobicContact CD1-CG2 3.9Å; L441-V521 HydrophobicContact CD2-CG2 3.52Å; L441-V521 HydrophobicContact CG-CG2 4.38Å
442	L	98.2	Very high	95.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	35%	0.35	C	S	.	.			trans	-125.7	51.8	-174.5	-54	175.9	0	0	0	112.6	V438 D444 L455 A456 F459 A514 R517 M518	V438-L442 HydrophobicContact CG1-CD1 4.1Å; V438-L442 WeakPolarHBondContact O-CB 3.29Å; V438-L442 PolarHBondContact O-N 2.67Å; L442-D444 VanDerWaalsContact C-N 3.26Å; L442-D444 PolarHBondContact O-N 2.94Å; L442-L455 HydrophobicContact CB-CB 4.11Å; L442-L455 HydrophobicContact CB-CD2 4.36Å; L442-L455 HydrophobicContact CB-CG 4.04Å; L442-L455 HydrophobicContact CD1-CG 4.4Å; L442-L455 HydrophobicContact CD2-CD2 3.92Å; L442-L455 HydrophobicContact CD2-CG 4.3Å; L442-L455 HydrophobicContact CG-CG 4.49Å; L442-A456 HydrophobicContact CB-CB 3.96Å; L442-A456 WeakPolarHBondContact O-CB 3.06Å; L442-A456 PolarHBondContact O-N 2.96Å; L442-F459 HydrophobicContact CD1-CB 3.85Å; L442-F459 HydrophobicContact CD1-CD1 4.24Å; L442-F459 HydrophobicContact CD1-CD2 4.04Å; L442-F459 HydrophobicContact CD1-CG 3.78Å; L442-A514 HydrophobicContact CD1-CB 3.81Å; L442-A514 HydrophobicContact CD2-CB 3.91Å; L442-R517 HydrophobicContact CD2-CB 4.29Å; L442-M518 HydrophobicContact CD1-SD 4.32Å
443	P	97.8	Very high	95.7	Very high	68 Å²	68	57.6 Å²	57.6	44%	0.442	35%	0.351	S	S	.	.			trans	-76.9	-10.5	-169.8	34.2	-38.5	0	0	0	113.9	E440 L441 V445	E440-P443 WeakPolarHBondContact O-CD 3.4Å; L441-P443 WeakPolarHBondContact O-CD 3.3Å; P443-V445 PolarHBondContact O-N 3.24Å
444	D	97.7	Very high	95.8	Very high	85 Å²	85	58.8 Å²	58.8	46%	0.455	36%	0.359	S	S	.	.			trans	-64.8	128.9	-169.9	-58.2	-50.3	0	0	0	111.3	L442 T454 L455 R517	L442-D444 VanDerWaalsContact C-N 3.26Å; L442-D444 PolarHBondContact O-N 2.94Å; D444-T454 CarbonylContact O-C 3.55Å; D444-T454 VanDerWaalsContact O-CA 3.23Å; D444-T454 WeakPolarHBondContact O-CA 3.29Å; D444-L455 PolarHBondContact O-N 2.99Å; D444-R517 IonicContact OD2-CZ 3.7Å; D444-R517 IonicContact OD2-NH1 3.68Å; D444-R517 PolarHBondContact OD2-NH1 3.35Å; D444-R517 IonicContact OD2-NH2 3.6Å
445	V	97.3	Very high	95.8	Very high	97 Å²	97	57.7 Å²	57.7	59%	0.588	35%	0.352	S	S	*	.	B	Isolated β-bridge	trans	-71.4	128.4	172.9	179	0	0	0	0	108.9	P443 E447 A452 T454	P443-V445 PolarHBondContact O-N 3.24Å; V445-E447 PolarHBondContact O-N 2.83Å; V445-A452 HydrophobicContact CG1-CB 4.47Å; V445-T454 HydrophobicContact CG2-CG2 4.34Å
446	V	96.7	Very high	95.8	Very high	10 Å²	10	57.6 Å²	57.6	6%	0.061	35%	0.351	C	S	.	.			trans	-86.4	113.3	-178.3	178.5	0	0	0	0	109.5	G448 A449 A453 L455 I458 L510	V446-G448 PolarHBondContact O-N 2.82Å; V446-A449 HydrophobicContact CB-CB 3.89Å; V446-A449 HydrophobicContact CG1-CB 3.94Å; V446-A449 WeakPolarHBondContact O-CB 3.06Å; V446-A449 PolarHBondContact O-N 3.07Å; V446-A449 VanDerWaalsContact O-N 3.13Å; V446-A453 PolarHBondContact N-O 2.79Å; V446-L455 HydrophobicContact CG2-CB 4.23Å; V446-I458 HydrophobicContact CB-CD1 4.12Å; V446-I458 HydrophobicContact CG1-CD1 4.15Å; V446-I458 HydrophobicContact CG2-CD1 3.85Å; V446-L510 HydrophobicContact CG1-CD1 3.6Å; V446-L510 HydrophobicContact CG1-CD2 4.43Å; V446-L510 HydrophobicContact CG2-CD1 4.12Å; V446-L510 HydrophobicContact CG2-CD2 4.18Å
447	E	92.8	Very high	95.8	Very high	189 Å²	189	57 Å²	57	88%	0.883	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	132.1	176.5	-171.6	178.2	-175.7	0	0	111	V445 A449	V445-E447 PolarHBondContact O-N 2.83Å; E447-A449 VanDerWaalsContact C-N 3.25Å; E447-A449 PolarHBondContact O-N 3.32Å
448	G	89	Confident	95.9	Very high	65 Å²	65	54.4 Å²	54.4	67%	0.67	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-8.6	-178.1	0	0	0	0	0	114.9	V446	V446-G448 PolarHBondContact O-N 2.82Å
449	A	93.1	Very high	95.9	Very high	13 Å²	13	54.4 Å²	54.4	11%	0.107	33%	0.331	C	S	.	.			trans	-74.1	142.6	173.7	0	0	0	0	0	111.8	V446 E447 A453 F500 I502	V446-A449 HydrophobicContact CB-CB 3.89Å; V446-A449 HydrophobicContact CG1-CB 3.94Å; V446-A449 WeakPolarHBondContact O-CB 3.06Å; V446-A449 PolarHBondContact O-N 3.07Å; V446-A449 VanDerWaalsContact O-N 3.13Å; E447-A449 VanDerWaalsContact C-N 3.25Å; E447-A449 PolarHBondContact O-N 3.32Å; A449-A453 HydrophobicContact CB-CB 4.13Å; A449-F500 CarbonylContact C-O 3.52Å; A449-F500 WeakPolarHBondContact CA-O 3.33Å; A449-I502 HydrophobicContact CB-CG2 4.02Å
450	V	91.1	Very high	95.9	Very high	99 Å²	99	50.8 Å²	50.8	60%	0.6	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-63.8	136.1	178.3	177.1	0	0	0	0	110.3	A452 F500	V450-A452 PolarHBondContact O-N 3.31Å; V450-F500 PolarHBondContact N-O 3.13Å
451	G	89	Confident	95.9	Very high	77 Å²	77	45.6 Å²	45.6	79%	0.794	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	75.4	20	170.3	0	0	0	0	0	115.7	A453	G451-A453 PolarHBondContact O-N 3.15Å
452	A	90.7	Very high	96	Very high	71 Å²	71	44.3 Å²	44.3	59%	0.587	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	57	36.5	-174.9	0	0	0	0	0	112.9	V445 V450	V445-A452 HydrophobicContact CG1-CB 4.47Å; V450-A452 PolarHBondContact O-N 3.31Å
453	A	96.8	Very high	96	Very high	7 Å²	7	44.5 Å²	44.5	6%	0.058	29%	0.287	C	S	.	.			trans	-58.9	138.4	178.6	0	0	0	0	0	111.7	V446 A449 G451 D457 F500	V446-A453 PolarHBondContact N-O 2.79Å; A449-A453 HydrophobicContact CB-CB 4.13Å; G451-A453 PolarHBondContact O-N 3.15Å; A453-D457 HydrophobicContact CB-CB 4.3Å; A453-F500 HydrophobicContact CB-CD1 3.59Å; A453-F500 HydrophobicContact CB-CE1 3.75Å
454	T	98.1	Very high	95.9	Very high	26 Å²	26	41.9 Å²	41.9	16%	0.16	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-85.6	164	172.8	62.3	0	0	0	0	111.2	D444 V445 A456 D457 I458	D444-T454 CarbonylContact O-C 3.55Å; D444-T454 VanDerWaalsContact O-CA 3.23Å; D444-T454 WeakPolarHBondContact O-CA 3.29Å; V445-T454 HydrophobicContact CG2-CG2 4.34Å; T454-A456 PolarHBondContact O-N 3.44Å; T454-D457 WeakPolarHBondContact CB-OD2 3.39Å; T454-D457 PolarHBondContact N-OD2 3.18Å; T454-D457 PolarHBondContact O-N 3.25Å; T454-D457 PolarHBondContact OG1-N 3.02Å; T454-D457 PolarHBondContact OG1-OD2 2.83Å; T454-I458 PolarHBondContact O-N 3.44Å
455	L	98.4	Very high	96	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-58.1	-35.7	171.6	-179.8	55.1	0	0	0	111.2	L442 D444 V446 I458 F459 L510 M511 A514	L442-L455 HydrophobicContact CB-CB 4.11Å; L442-L455 HydrophobicContact CB-CD2 4.36Å; L442-L455 HydrophobicContact CB-CG 4.04Å; L442-L455 HydrophobicContact CD1-CG 4.4Å; L442-L455 HydrophobicContact CD2-CD2 3.92Å; L442-L455 HydrophobicContact CD2-CG 4.3Å; L442-L455 HydrophobicContact CG-CG 4.49Å; D444-L455 PolarHBondContact O-N 2.99Å; V446-L455 HydrophobicContact CG2-CB 4.23Å; L455-I458 PolarHBondContact O-N 2.84Å; L455-F459 VanDerWaalsContact O-CB 3.27Å; L455-F459 WeakPolarHBondContact O-CB 3.47Å; L455-F459 PolarHBondContact O-N 3.5Å; L455-L510 HydrophobicContact CD1-CB 3.74Å; L455-L510 HydrophobicContact CD1-CD2 4.14Å; L455-L510 HydrophobicContact CD1-CG 4.4Å; L455-M511 HydrophobicContact CD1-CE 4.01Å; L455-A514 HydrophobicContact CD1-CB 4.23Å; L455-A514 HydrophobicContact CD2-CB 4.16Å; L455-A514 HydrophobicContact CG-CB 4.23Å
456	A	98.5	Very high	96	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-45.7	171.5	0	0	0	0	0	111.9	V438 R439 L442 T454 I458 F459 M460	V438-A456 HydrophobicContact CG1-CB 4.37Å; R439-A456 HydrophobicContact CB-CB 4.44Å; R439-A456 HydrophobicContact CG-CB 4.12Å; L442-A456 HydrophobicContact CB-CB 3.96Å; L442-A456 WeakPolarHBondContact O-CB 3.06Å; L442-A456 PolarHBondContact O-N 2.96Å; T454-A456 PolarHBondContact O-N 3.44Å; A456-I458 VanDerWaalsContact C-N 3.32Å; A456-I458 PolarHBondContact O-N 2.87Å; A456-F459 PolarHBondContact O-N 3.47Å; A456-M460 WeakPolarHBondContact O-CB 3.41Å; A456-M460 WeakPolarHBondContact O-CG 3.32Å; A456-M460 PolarHBondContact O-N 3.23Å
457	D	98.3	Very high	96	Very high	48 Å²	48	44.5 Å²	44.5	26%	0.257	27%	0.274	S	S	.	.	H	α-helix	trans	-61.6	-41.9	-179.2	-60.6	-49.5	0	0	0	111.8	R439 A453 T454 H461 F500	R439-D457 IonicContact CZ-OD1 3.71Å; R439-D457 IonicContact NH1-OD1 3.2Å; R439-D457 PolarHBondContact NH1-OD1 3.41Å; R439-D457 IonicContact NH2-OD1 3.98Å; A453-D457 HydrophobicContact CB-CB 4.3Å; T454-D457 WeakPolarHBondContact CB-OD2 3.39Å; T454-D457 PolarHBondContact N-OD2 3.18Å; T454-D457 PolarHBondContact O-N 3.25Å; T454-D457 PolarHBondContact OG1-N 3.02Å; T454-D457 PolarHBondContact OG1-OD2 2.83Å; D457-H461 WeakPolarHBondContact O-CB 3.33Å; D457-H461 PolarHBondContact O-N 3.39Å; D457-F500 HydrophobicContact CB-CE1 4.25Å; D457-F500 HydrophobicContact CB-CZ 4.43Å; D457-F500 WeakPolarHBondContact O-CZ 3.31Å
458	I	98.5	Very high	96.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-47	177.2	-55.9	-177.4	0	0	0	110.8	V446 T454 L455 A456 H461 H462 T496 F500 I502 F507 L510 M511	V446-I458 HydrophobicContact CB-CD1 4.12Å; V446-I458 HydrophobicContact CG1-CD1 4.15Å; V446-I458 HydrophobicContact CG2-CD1 3.85Å; T454-I458 PolarHBondContact O-N 3.44Å; L455-I458 PolarHBondContact O-N 2.84Å; A456-I458 VanDerWaalsContact C-N 3.32Å; A456-I458 PolarHBondContact O-N 2.87Å; I458-H461 PolarHBondContact O-N 3.1Å; I458-H462 WeakPolarHBondContact O-CB 3.47Å; I458-H462 PolarHBondContact O-N 3.06Å; I458-T496 HydrophobicContact CG2-CG2 3.85Å; I458-F500 HydrophobicContact CB-CD2 4.23Å; I458-F500 HydrophobicContact CB-CE2 4.13Å; I458-F500 HydrophobicContact CB-CZ 4.48Å; I458-F500 HydrophobicContact CD1-CB 4.38Å; I458-F500 HydrophobicContact CD1-CG 4.29Å; I458-F500 HydrophobicContact CG1-CB 4.41Å; I458-F500 HydrophobicContact CG1-CD1 3.94Å; I458-F500 HydrophobicContact CG1-CD2 3.81Å; I458-F500 HydrophobicContact CG1-CE1 4.1Å; I458-F500 HydrophobicContact CG1-CE2 4Å; I458-F500 HydrophobicContact CG1-CG 3.79Å; I458-F500 HydrophobicContact CG1-CZ 4.13Å; I458-F500 HydrophobicContact CG2-CD2 4.08Å; I458-F500 HydrophobicContact CG2-CE2 4.24Å; I458-I502 HydrophobicContact CD1-CD1 3.99Å; I458-F507 HydrophobicContact CG2-CD2 3.96Å; I458-F507 HydrophobicContact CG2-CE2 4.12Å; I458-L510 HydrophobicContact CD1-CD1 4.13Å; I458-M511 HydrophobicContact CB-CE 4.41Å; I458-M511 HydrophobicContact CG2-CE 3.87Å
459	F	98.6	Very high	96.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-47.1	178.9	-176.5	-84.3	0	0	0	111.8	I342 V438 L442 L455 A456 H461 H462 Y463 V465 L487 M511 A514 M518	I342-F459 HydrophobicContact CD1-CZ 4.19Å; V438-F459 HydrophobicContact CG1-CD1 3.7Å; V438-F459 HydrophobicContact CG1-CE1 4.26Å; L442-F459 HydrophobicContact CD1-CB 3.85Å; L442-F459 HydrophobicContact CD1-CD1 4.24Å; L442-F459 HydrophobicContact CD1-CD2 4.04Å; L442-F459 HydrophobicContact CD1-CG 3.78Å; L455-F459 VanDerWaalsContact O-CB 3.27Å; L455-F459 WeakPolarHBondContact O-CB 3.47Å; L455-F459 PolarHBondContact O-N 3.5Å; A456-F459 PolarHBondContact O-N 3.47Å; F459-H461 VanDerWaalsContact C-N 3.34Å; F459-H461 PolarHBondContact O-N 2.84Å; F459-H462 PolarHBondContact O-N 2.86Å; F459-Y463 AromaticContact CD1-CD2 3.98Å; F459-Y463 HydrophobicContact CD1-CD2 3.98Å; F459-Y463 AromaticContact CD2-CD2 3.69Å; F459-Y463 HydrophobicContact CD2-CD2 3.69Å; F459-Y463 AromaticContact CD2-CE2 3.73Å; F459-Y463 HydrophobicContact CD2-CE2 3.73Å; F459-Y463 AromaticContact CE1-CD2 3.66Å; F459-Y463 HydrophobicContact CE1-CD2 3.66Å; F459-Y463 HydrophobicContact CE1-CE2 4.38Å; F459-Y463 HydrophobicContact CE1-CG 4.35Å; F459-Y463 AromaticContact CE2-CD2 3.36Å; F459-Y463 HydrophobicContact CE2-CD2 3.36Å; F459-Y463 AromaticContact CE2-CE2 3.24Å; F459-Y463 HydrophobicContact CE2-CE2 3.24Å; F459-Y463 AromaticContact CG-CD2 3.98Å; F459-Y463 HydrophobicContact CG-CD2 3.98Å; F459-Y463 HydrophobicContact CG-CE2 4.47Å; F459-Y463 AromaticContact CZ-CD2 3.32Å; F459-Y463 HydrophobicContact CZ-CD2 3.32Å; F459-Y463 AromaticContact CZ-CE2 3.6Å; F459-Y463 HydrophobicContact CZ-CE2 3.6Å; F459-Y463 HydrophobicContact CZ-CG 4.21Å; F459-Y463 PolarHBondContact O-N 2.9Å; F459-V465 HydrophobicContact CE1-CG2 4.44Å; F459-L487 HydrophobicContact CE1-CD1 4.33Å; F459-L487 HydrophobicContact CE1-CD2 3.83Å; F459-L487 HydrophobicContact CZ-CD1 3.84Å; F459-L487 HydrophobicContact CZ-CD2 4.18Å; F459-M511 HydrophobicContact CB-CE 4.2Å; F459-M511 HydrophobicContact CD2-CE 4.4Å; F459-M511 HydrophobicContact CD2-SD 4.09Å; F459-A514 HydrophobicContact CD2-CB 3.65Å; F459-A514 HydrophobicContact CE2-CB 4.17Å; F459-M518 HydrophobicContact CD1-SD 4.37Å; F459-M518 HydrophobicContact CD2-SD 4.35Å; F459-M518 HydrophobicContact CE1-CE 3.94Å; F459-M518 HydrophobicContact CE1-SD 3.62Å; F459-M518 HydrophobicContact CE2-SD 3.56Å; F459-M518 VanDerWaalsContact CE2-SD 3.56Å; F459-M518 HydrophobicContact CZ-CE 3.78Å; F459-M518 HydrophobicContact CZ-SD 3.16Å; F459-M518 WeakPolarHBondContact CZ-SD 3.48Å
460	M	98.6	Very high	96.7	Very high	14 Å²	14	41 Å²	41	7%	0.069	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-40	-179.8	-71.4	176.4	66.9	0	0	111.5	A435 V438 R439 A456 G464 V465	A435-M460 HydrophobicContact CB-CE 3.76Å; V438-M460 HydrophobicContact CB-CG 4.4Å; V438-M460 HydrophobicContact CG1-CG 3.71Å; V438-M460 HydrophobicContact CG1-SD 4.35Å; R439-M460 HydrophobicContact CG-SD 3.91Å; A456-M460 WeakPolarHBondContact O-CB 3.41Å; A456-M460 WeakPolarHBondContact O-CG 3.32Å; A456-M460 PolarHBondContact O-N 3.23Å; M460-G464 CarbonylContact O-C 3.58Å; M460-G464 WeakPolarHBondContact O-CA 3.42Å; M460-G464 PolarHBondContact O-N 2.97Å; M460-V465 HydrophobicContact CB-CB 3.84Å; M460-V465 HydrophobicContact CB-CG1 4.49Å; M460-V465 HydrophobicContact CB-CG2 4.47Å; M460-V465 HydrophobicContact CE-CB 4.33Å; M460-V465 HydrophobicContact CE-CG1 3.92Å; M460-V465 HydrophobicContact CG-CB 3.76Å; M460-V465 HydrophobicContact CG-CG1 3.92Å; M460-V465 HydrophobicContact CG-CG2 4.31Å; M460-V465 PolarHBondContact O-N 3.4Å
461	H	98.2	Very high	96.8	Very high	42 Å²	42	37.5 Å²	37.5	19%	0.194	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-53.9	173.3	-176.9	86.3	0	0	0	110.9	D457 I458 F459 Y463 G464 Y491 H499 F500	D457-H461 WeakPolarHBondContact O-CB 3.33Å; D457-H461 PolarHBondContact O-N 3.39Å; I458-H461 PolarHBondContact O-N 3.1Å; F459-H461 VanDerWaalsContact C-N 3.34Å; F459-H461 PolarHBondContact O-N 2.84Å; H461-Y463 PolarHBondContact O-N 3.37Å; H461-G464 PolarHBondContact O-N 3.45Å; H461-Y491 AromaticContact CD2-CD2 3.58Å; H461-Y491 AromaticContact CE1-CD2 3.7Å; H461-Y491 AromaticContact CE1-CE2 3.6Å; H461-Y491 AromaticContact ND1-CE2 4Å; H461-Y491 AromaticContact NE2-CD2 3.34Å; H461-Y491 VanDerWaalsContact NE2-CD2 3.34Å; H461-Y491 WeakPolarHBondContact NE2-CD2 3.41Å; H461-Y491 AromaticContact NE2-CE2 3.74Å; H461-Y491 AromaticContact NE2-CG 3.52Å; H461-Y491 VanDerWaalsContact O-CD2 3.28Å; H461-Y491 WeakPolarHBondContact O-CD2 3.23Å; H461-H499 AromaticContact CE1-CD2 3.86Å; H461-H499 AromaticContact CE1-CG 3.92Å; H461-H499 AromaticContact ND1-CD2 4Å; H461-H499 AromaticContact NE2-CG 3.97Å; H461-F500 HydrophobicContact CB-CE2 3.68Å; H461-F500 HydrophobicContact CB-CZ 3.86Å; H461-F500 AromaticContact CG-CE2 3.86Å
462	H	98.5	Very high	96.8	Very high	15 Å²	15	35.7 Å²	35.7	7%	0.069	20%	0.198	C	C	.	.	H	α-helix	trans	-56.2	-47.9	-177.8	-177.3	56.4	0	0	0	112.6	I458 F459 R490 Y491 T496 F507 M511	I458-H462 WeakPolarHBondContact O-CB 3.47Å; I458-H462 PolarHBondContact O-N 3.06Å; F459-H462 PolarHBondContact O-N 2.86Å; H462-R490 PolarHBondContact O-N 2.78Å; H462-Y491 PolarHBondContact CE1-O 2.94Å; H462-Y491 PolarHBondContact ND1-O 2.97Å; H462-T496 HydrophobicContact CB-CG2 4.21Å; H462-F507 HydrophobicContact CB-CE2 4.25Å; H462-F507 HydrophobicContact CB-CZ 4.35Å; H462-F507 AromaticContact CD2-CZ 3.89Å; H462-F507 AromaticContact CE1-CZ 3.71Å; H462-F507 AromaticContact CG-CZ 3.7Å; H462-F507 AromaticContact ND1-CZ 3.59Å; H462-F507 AromaticContact NE2-CZ 3.89Å; H462-M511 HydrophobicContact CB-SD 4.44Å
463	Y	98.4	Very high	96.6	Very high	4 Å²	4	36 Å²	36	2%	0.016	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	7.7	-175.4	-71.9	-66.2	0	0	0	114.9	H341 F459 H461 V465 L487 I488 V489 M511 R515	H341-Y463 HydrophobicContact CB-CD1 4.43Å; H341-Y463 HydrophobicContact CB-CE1 3.66Å; H341-Y463 AromaticContact CG-CE1 3.47Å; H341-Y463 VanDerWaalsContact CG-CE1 3.47Å; H341-Y463 AromaticContact ND1-CE1 3.6Å; F459-Y463 AromaticContact CD1-CD2 3.98Å; F459-Y463 HydrophobicContact CD1-CD2 3.98Å; F459-Y463 AromaticContact CD2-CD2 3.69Å; F459-Y463 HydrophobicContact CD2-CD2 3.69Å; F459-Y463 AromaticContact CD2-CE2 3.73Å; F459-Y463 HydrophobicContact CD2-CE2 3.73Å; F459-Y463 AromaticContact CE1-CD2 3.66Å; F459-Y463 HydrophobicContact CE1-CD2 3.66Å; F459-Y463 HydrophobicContact CE1-CE2 4.38Å; F459-Y463 HydrophobicContact CE1-CG 4.35Å; F459-Y463 AromaticContact CE2-CD2 3.36Å; F459-Y463 HydrophobicContact CE2-CD2 3.36Å; F459-Y463 AromaticContact CE2-CE2 3.24Å; F459-Y463 HydrophobicContact CE2-CE2 3.24Å; F459-Y463 AromaticContact CG-CD2 3.98Å; F459-Y463 HydrophobicContact CG-CD2 3.98Å; F459-Y463 HydrophobicContact CG-CE2 4.47Å; F459-Y463 AromaticContact CZ-CD2 3.32Å; F459-Y463 HydrophobicContact CZ-CD2 3.32Å; F459-Y463 AromaticContact CZ-CE2 3.6Å; F459-Y463 HydrophobicContact CZ-CE2 3.6Å; F459-Y463 HydrophobicContact CZ-CG 4.21Å; F459-Y463 PolarHBondContact O-N 2.9Å; H461-Y463 PolarHBondContact O-N 3.37Å; Y463-V465 VanDerWaalsContact C-N 3.29Å; Y463-V465 PolarHBondContact O-N 3.45Å; Y463-L487 HydrophobicContact CD1-CB 3.99Å; Y463-L487 HydrophobicContact CG-CB 4.24Å; Y463-L487 HydrophobicContact CG-CD2 4.35Å; Y463-I488 CarbonylContact C-O 3.54Å; Y463-I488 WeakPolarHBondContact CA-O 3.32Å; Y463-I488 PolarHBondContact O-N 3.04Å; Y463-V489 HydrophobicContact CD1-CG2 4.2Å; Y463-V489 HydrophobicContact CE1-CG2 3.87Å; Y463-M511 HydrophobicContact CE2-SD 4.27Å; Y463-R515 PolarHBondContact OH-NH1 3.44Å
464	G	96.6	Very high	95.9	Very high	13 Å²	13	43.6 Å²	43.6	13%	0.134	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	34.4	177.8	0	0	0	0	0	114.4	M460 H461 N470	M460-G464 CarbonylContact O-C 3.58Å; M460-G464 WeakPolarHBondContact O-CA 3.42Å; M460-G464 PolarHBondContact O-N 2.97Å; H461-G464 PolarHBondContact O-N 3.45Å; G464-N470 PolarHBondContact O-ND2 2.88Å
465	V	98.3	Very high	95.2	Very high	14 Å²	14	45 Å²	45	9%	0.085	24%	0.239	C	C	.	.			trans	-73.5	130.8	176.6	-178.6	0	0	0	0	108.8	A435 V438 F459 M460 Y463 N485 L487	A435-V465 HydrophobicContact CB-CG1 4.18Å; V438-V465 HydrophobicContact CG2-CG1 4.49Å; F459-V465 HydrophobicContact CE1-CG2 4.44Å; M460-V465 HydrophobicContact CB-CB 3.84Å; M460-V465 HydrophobicContact CB-CG1 4.49Å; M460-V465 HydrophobicContact CB-CG2 4.47Å; M460-V465 HydrophobicContact CE-CB 4.33Å; M460-V465 HydrophobicContact CE-CG1 3.92Å; M460-V465 HydrophobicContact CG-CB 3.76Å; M460-V465 HydrophobicContact CG-CG1 3.92Å; M460-V465 HydrophobicContact CG-CG2 4.31Å; M460-V465 PolarHBondContact O-N 3.4Å; Y463-V465 VanDerWaalsContact C-N 3.29Å; Y463-V465 PolarHBondContact O-N 3.45Å; V465-N485 WeakPolarHBondContact CA-OD1 3.42Å; V465-N485 HydrophobicContact CG1-CB 4.05Å; V465-N485 HydrophobicContact CG2-CB 4.46Å; V465-L487 HydrophobicContact CG2-CD2 3.77Å
466	K	97.7	Very high	94.6	Very high	127 Å²	127	45.6 Å²	45.6	55%	0.552	24%	0.243	S	C	*	.			trans	-117.1	147.7	179.2	-63.2	179.7	-175.5	172.7	0	110.3	Q468 G469 N470 N485	K466-Q468 PolarHBondContact O-N 3.49Å; K466-G469 WeakPolarHBondContact CB-O 3.49Å; K466-G469 PolarHBondContact O-N 3.17Å; K466-N470 HydrophobicContact CB-CB 4.41Å; K466-N470 HydrophobicContact CD-CB 4.06Å; K466-N470 HydrophobicContact CG-CB 4.16Å; K466-N485 PolarHBondContact N-OD1 3.42Å; K466-N485 PolarHBondContact O-ND2 3.27Å; K466-N485 PolarHBondContact O-OD1 2.89Å
467	E	97.4	Very high	93.8	Very high	106 Å²	106	50.3 Å²	50.3	50%	0.495	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.9	179.7	-63.8	-64.4	168	0	0	112.9	A435 R439	A435-E467 VanDerWaalsContact CB-OE2 3.28Å; A435-E467 WeakPolarHBondContact CB-OE2 3.28Å; R439-E467 IonicContact CZ-OE1 3.15Å; R439-E467 IonicContact NE-OE1 2.92Å; R439-E467 PolarHBondContact NE-OE1 3.22Å; R439-E467 IonicContact NH2-OE1 3.89Å; R439-E467 PolarHBondContact NH2-OE1 3.11Å
468	Q	95.4	Very high	93	Very high	167 Å²	167	51.3 Å²	51.3	78%	0.78	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	11.4	-179.2	-53.2	-61.9	-15.6	0	0	113.4	K466 G483	K466-Q468 PolarHBondContact O-N 3.49Å; Q468-G483 WeakPolarHBondContact O-CA 3.48Å
469	G	96.9	Very high	92.5	Very high	12 Å²	12	52.8 Å²	52.8	12%	0.124	29%	0.292	C	S	.	.			trans	83.5	161.5	-167.2	0	0	0	0	0	113	K466 K484	K466-G469 WeakPolarHBondContact CB-O 3.49Å; K466-G469 PolarHBondContact O-N 3.17Å; G469-K484 CarbonylContact C-O 3.45Å; G469-K484 WeakPolarHBondContact CA-O 3.49Å
470	N	96.2	Very high	92	Very high	15 Å²	15	53.8 Å²	53.8	8%	0.08	30%	0.296	C	S	.	.	S	Bend	trans	-118.2	4.7	-176.5	72.1	7.3	0	0	0	114.4	H356 G464 K466 K484 N485 V486	H356-N470 PolarHBondContact CE1-O 2.66Å; H356-N470 VanDerWaalsContact CE1-O 3.28Å; H356-N470 PolarHBondContact NE2-OD1 3.47Å; G464-N470 PolarHBondContact O-ND2 2.88Å; K466-N470 HydrophobicContact CB-CB 4.41Å; K466-N470 HydrophobicContact CD-CB 4.06Å; K466-N470 HydrophobicContact CG-CB 4.16Å; N470-K484 PolarHBondContact N-O 3.47Å; N470-N485 WeakPolarHBondContact CB-OD1 3.4Å; N470-N485 PolarHBondContact N-OD1 3.37Å; N470-N485 VanDerWaalsContact OD1-CA 3.27Å; N470-N485 WeakPolarHBondContact OD1-CA 3.4Å; N470-V486 PolarHBondContact ND2-O 3.36Å; N470-V486 PolarHBondContact OD1-N 3.16Å; N470-V486 PolarHBondContact OD1-O 3.34Å
471	V	94.7	Very high	91.8	Very high	26 Å²	26	53.4 Å²	53.4	16%	0.158	30%	0.295	C	S	.	.	S	Bend	trans	-92.3	131.4	174.3	-177.5	0	0	0	0	109.9	V357 Q475 D476 L481 V486	V357-V471 HydrophobicContact CG1-CG1 4.28Å; V357-V471 HydrophobicContact CG2-CB 4.5Å; V357-V471 HydrophobicContact CG2-CG1 4.01Å; V357-V471 HydrophobicContact CG2-CG2 4.17Å; V471-Q475 HydrophobicContact CG1-CB 4.23Å; V471-D476 HydrophobicContact CG1-CB 4.03Å; V471-L481 HydrophobicContact CB-CB 4.23Å; V471-L481 HydrophobicContact CG1-CB 4.11Å; V471-L481 HydrophobicContact CG1-CD1 4.1Å; V471-L481 HydrophobicContact CG2-CB 4.17Å; V471-L481 HydrophobicContact CG2-CD1 4.22Å; V471-V486 HydrophobicContact CG2-CG2 3.68Å
472	A	88.1	Confident	91.5	Very high	39 Å²	39	59.4 Å²	59.4	32%	0.322	32%	0.323	S	S	.	.			trans	-78.9	149.6	177.6	0	0	0	0	0	111.1	E474 Q475 D476	A472-E474 WeakPolarHBondContact CB-OE2 3.38Å; A472-E474 PolarHBondContact O-N 3.33Å; A472-Q475 HydrophobicContact CB-CG 4.34Å; A472-Q475 WeakPolarHBondContact O-CB 3.05Å; A472-Q475 PolarHBondContact O-N 2.94Å; A472-D476 PolarHBondContact O-N 3.24Å
473	A	85.8	Confident	91.3	Very high	78 Å²	78	60.1 Å²	60.1	65%	0.645	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-63.1	-28.1	-177.1	0	0	0	0	0	112.7	Q475 D476	A473-Q475 PolarHBondContact O-N 3.1Å; A473-D476 CarbonylContact O-C 3.59Å; A473-D476 PolarHBondContact O-N 2.93Å
474	E	83.3	Confident	91.2	Very high	165 Å²	165	63 Å²	63	77%	0.771	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-68.6	-24.8	176.3	-57.5	76.2	-166.2	0	0	112.6	A472	A472-E474 WeakPolarHBondContact CB-OE2 3.38Å; A472-E474 PolarHBondContact O-N 3.33Å
475	Q	82.7	Confident	91.3	Very high	55 Å²	55	62.3 Å²	62.3	26%	0.257	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-93.3	-6	179.1	-61	169.1	-37.2	0	0	112.5	D352 V357 V471 A472 A473	D352-Q475 PolarHBondContact OD2-NE2 2.79Å; D352-Q475 VanDerWaalsContact OD2-NE2 3.13Å; V357-Q475 HydrophobicContact CG2-CB 4.39Å; V471-Q475 HydrophobicContact CG1-CB 4.23Å; A472-Q475 HydrophobicContact CB-CG 4.34Å; A472-Q475 WeakPolarHBondContact O-CB 3.05Å; A472-Q475 PolarHBondContact O-N 2.94Å; A473-Q475 PolarHBondContact O-N 3.1Å
476	D	86.8	Confident	91.2	Very high	18 Å²	18	62 Å²	62	10%	0.096	34%	0.338	C	S	.	.			trans	-130.6	67.8	-179.6	179.4	22.2	0	0	0	110	V471 A472 A473 H478 G479 E480 L481 Q482	V471-D476 HydrophobicContact CG1-CB 4.03Å; A472-D476 PolarHBondContact O-N 3.24Å; A473-D476 CarbonylContact O-C 3.59Å; A473-D476 PolarHBondContact O-N 2.93Å; D476-H478 PolarHBondContact O-N 3Å; D476-H478 VanDerWaalsContact O-N 3.07Å; D476-G479 PolarHBondContact O-N 3.43Å; D476-G479 WeakPolarHBondContact OD1-CA 3.36Å; D476-G479 PolarHBondContact OD1-N 3.3Å; D476-G479 WeakPolarHBondContact OD2-CA 3.44Å; D476-E480 VanDerWaalsContact CG-N 3.32Å; D476-E480 PolarHBondContact OD1-N 3.43Å; D476-E480 PolarHBondContact OD2-N 3.1Å; D476-L481 HydrophobicContact CB-CB 4.32Å; D476-L481 WeakPolarHBondContact OD2-CA 3.48Å; D476-L481 PolarHBondContact OD2-N 3.31Å; D476-Q482 PolarHBondContact OD2-N 3.1Å
477	P	80	Confident	91.3	Very high	99 Å²	99	56.5 Å²	56.5	64%	0.643	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.5	-174.5	26	-35.2	0	0	0	113.3
478	H	82.6	Confident	91.3	Very high	69 Å²	69	51.8 Å²	51.8	32%	0.319	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-4.2	179.2	-65.4	-66.9	0	0	0	113.6	W141 D476 E480	W141-H478 AromaticContact CH2-NE2 3.68Å; W141-H478 AromaticContact CZ3-NE2 3.81Å; D476-H478 PolarHBondContact O-N 3Å; D476-H478 VanDerWaalsContact O-N 3.07Å; H478-E480 VanDerWaalsContact C-N 3.26Å; H478-E480 HydrophobicContact CB-CG 3.89Å; H478-E480 PolarHBondContact O-N 2.93Å
479	G	87.3	Confident	91.4	Very high	31 Å²	31	45.1 Å²	45.1	32%	0.32	26%	0.264	S	S	.	.	S	Bend	trans	67.5	23.9	179.6	0	0	0	0	0	113.8	D476	D476-G479 PolarHBondContact O-N 3.43Å; D476-G479 WeakPolarHBondContact OD1-CA 3.36Å; D476-G479 PolarHBondContact OD1-N 3.3Å; D476-G479 WeakPolarHBondContact OD2-CA 3.44Å
480	E	89.3	Confident	91.3	Very high	20 Å²	20	49.6 Å²	49.6	9%	0.093	28%	0.277	C	S	.	.	S	Bend	trans	-78.2	-24.4	-176.1	-65.1	-168.1	157.7	0	0	112.4	H140 R147 R426 E427 D476 H478	H140-E480 IonicContact CE1-OE2 2.86Å; H140-E480 PolarHBondContact CE1-OE2 3.22Å; R147-E480 IonicContact NH1-OE1 2.73Å; R426-E480 HydrophobicContact CB-CB 4.31Å; R426-E480 HydrophobicContact CB-CG 4.47Å; E427-E480 WeakPolarHBondContact CB-OE2 3.43Å; E427-E480 PolarHBondContact N-OE2 3.34Å; D476-E480 VanDerWaalsContact CG-N 3.32Å; D476-E480 PolarHBondContact OD1-N 3.43Å; D476-E480 PolarHBondContact OD2-N 3.1Å; H478-E480 VanDerWaalsContact C-N 3.26Å; H478-E480 HydrophobicContact CB-CG 3.89Å; H478-E480 PolarHBondContact O-N 2.93Å
481	L	93.1	Very high	91.3	Very high	6 Å²	6	54 Å²	54	3%	0.031	29%	0.293	C	S	.	.	S	Bend	trans	-108.9	8.5	-176.8	-56.8	179.9	0	0	0	113.3	V357 F360 E427 V432 V471 D476 G483 K484	V357-L481 HydrophobicContact CG1-CD1 4.16Å; F360-L481 HydrophobicContact CE2-CD1 4.15Å; F360-L481 HydrophobicContact CE2-CD2 4.37Å; E427-L481 WeakPolarHBondContact O-CD2 3.06Å; V432-L481 HydrophobicContact CG1-CD2 3.98Å; V432-L481 HydrophobicContact CG2-CD2 4.27Å; V471-L481 HydrophobicContact CB-CB 4.23Å; V471-L481 HydrophobicContact CG1-CB 4.11Å; V471-L481 HydrophobicContact CG1-CD1 4.1Å; V471-L481 HydrophobicContact CG2-CB 4.17Å; V471-L481 HydrophobicContact CG2-CD1 4.22Å; D476-L481 HydrophobicContact CB-CB 4.32Å; D476-L481 WeakPolarHBondContact OD2-CA 3.48Å; D476-L481 PolarHBondContact OD2-N 3.31Å; L481-G483 PolarHBondContact O-N 3.4Å; L481-K484 VanDerWaalsContact O-CB 3.25Å; L481-K484 WeakPolarHBondContact O-CB 3.3Å; L481-K484 PolarHBondContact O-N 2.8Å
482	Q	92.3	Very high	91.4	Very high	168 Å²	168	55 Å²	55	79%	0.785	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	126.6	177.9	-169.7	179	18	0	0	111.8	D476 K484	D476-Q482 PolarHBondContact OD2-N 3.1Å; Q482-K484 PolarHBondContact O-N 2.89Å
483	G	94.1	Very high	91.8	Very high	31 Å²	31	54 Å²	54	32%	0.32	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	5	-177.9	0	0	0	0	0	114.4	Q468 L481	Q468-G483 WeakPolarHBondContact O-CA 3.48Å; L481-G483 PolarHBondContact O-N 3.4Å
484	K	96.6	Very high	92.3	Very high	63 Å²	63	55.7 Å²	55.7	27%	0.274	29%	0.287	S	S	.	.			trans	-100.5	156.1	179.5	-56	-60.6	-172.3	174	0	111.3	V432 W433 T434 G469 N470 L481 Q482	V432-K484 HydrophobicContact CB-CB 3.95Å; V432-K484 HydrophobicContact CG2-CB 3.74Å; V432-K484 HydrophobicContact CG2-CD 4.05Å; V432-K484 HydrophobicContact CG2-CG 3.78Å; W433-K484 CarbonylContact O-C 3.58Å; T434-K484 HydrophobicContact CG2-CD 3.84Å; G469-K484 CarbonylContact C-O 3.45Å; G469-K484 WeakPolarHBondContact CA-O 3.49Å; N470-K484 PolarHBondContact N-O 3.47Å; L481-K484 VanDerWaalsContact O-CB 3.25Å; L481-K484 WeakPolarHBondContact O-CB 3.3Å; L481-K484 PolarHBondContact O-N 2.8Å; Q482-K484 PolarHBondContact O-N 2.89Å
485	N	98.1	Very high	93	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-116.8	125.9	177.6	-64.4	-87.4	0	0	0	109.7	W433 V465 K466 N470	W433-N485 PolarHBondContact N-O 2.91Å; W433-N485 VanDerWaalsContact N-O 3.11Å; W433-N485 WeakPolarHBondContact O-CA 3.34Å; W433-N485 VanDerWaalsContact O-CB 3.29Å; W433-N485 WeakPolarHBondContact O-CB 3.45Å; W433-N485 PolarHBondContact O-N 2.94Å; W433-N485 PolarHBondContact O-ND2 3.22Å; W433-N485 VanDerWaalsContact O-ND2 3.12Å; V465-N485 WeakPolarHBondContact CA-OD1 3.42Å; V465-N485 HydrophobicContact CG1-CB 4.05Å; V465-N485 HydrophobicContact CG2-CB 4.46Å; K466-N485 PolarHBondContact N-OD1 3.42Å; K466-N485 PolarHBondContact O-ND2 3.27Å; K466-N485 PolarHBondContact O-OD1 2.89Å; N470-N485 WeakPolarHBondContact CB-OD1 3.4Å; N470-N485 PolarHBondContact N-OD1 3.37Å; N470-N485 VanDerWaalsContact OD1-CA 3.27Å; N470-N485 WeakPolarHBondContact OD1-CA 3.4Å
486	V	97.9	Very high	93.7	Very high	6 Å²	6	50.2 Å²	50.2	4%	0.036	27%	0.265	C	S	.	.			trans	-91	123.7	162.8	-175.5	0	0	0	0	107.1	H356 P358 F360 V432 N470 V471 I488	H356-V486 PolarHBondContact NE2-O 3.27Å; H356-V486 VanDerWaalsContact NE2-O 3.07Å; H356-V486 WeakPolarHBondContact O-CG1 3.41Å; P358-V486 HydrophobicContact CG-CG1 4.44Å; F360-V486 HydrophobicContact CZ-CG2 3.88Å; V432-V486 HydrophobicContact CG1-CG2 3.93Å; N470-V486 PolarHBondContact ND2-O 3.36Å; N470-V486 PolarHBondContact OD1-N 3.16Å; N470-V486 PolarHBondContact OD1-O 3.34Å; V471-V486 HydrophobicContact CG2-CG2 3.68Å; V486-I488 PolarHBondContact O-N 2.83Å
487	L	98.2	Very high	94.3	Very high	12 Å²	12	49.4 Å²	49.4	6%	0.063	26%	0.261	C	S	.	.			trans	-69	130.2	-177.7	-57.1	-178.2	0	0	0	109.8	G337 H341 I342 F459 Y463 V465 M518	G337-L487 WeakPolarHBondContact CA-O 3.3Å; H341-L487 HydrophobicContact CB-CB 4.42Å; H341-L487 HydrophobicContact CB-CD1 4.35Å; H341-L487 PolarHBondContact CD2-O 3.05Å; I342-L487 HydrophobicContact CD1-CD1 3.63Å; I342-L487 HydrophobicContact CG1-CD1 3.6Å; F459-L487 HydrophobicContact CE1-CD1 4.33Å; F459-L487 HydrophobicContact CE1-CD2 3.83Å; F459-L487 HydrophobicContact CZ-CD1 3.84Å; F459-L487 HydrophobicContact CZ-CD2 4.18Å; Y463-L487 HydrophobicContact CD1-CB 3.99Å; Y463-L487 HydrophobicContact CG-CB 4.24Å; Y463-L487 HydrophobicContact CG-CD2 4.35Å; V465-L487 HydrophobicContact CG2-CD2 3.77Å; L487-M518 HydrophobicContact CD1-CE 4.39Å
488	I	97.7	Very high	95.1	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.041	26%	0.26	C	S	.	.			trans	-144.7	133.1	176.5	173.7	163.5	0	0	0	108.1	H356 Y463 V486 R490	H356-I488 HydrophobicContact CB-CD1 3.61Å; H356-I488 WeakPolarHBondContact CD2-CG2 3.49Å; H356-I488 WeakPolarHBondContact NE2-CG2 3.44Å; Y463-I488 CarbonylContact C-O 3.54Å; Y463-I488 WeakPolarHBondContact CA-O 3.32Å; Y463-I488 PolarHBondContact O-N 3.04Å; V486-I488 PolarHBondContact O-N 2.83Å; I488-R490 HydrophobicContact CG2-CG 4.15Å; I488-R490 PolarHBondContact O-N 3.17Å
489	V	97.9	Very high	95.8	Very high	27 Å²	27	50.5 Å²	50.5	16%	0.164	27%	0.27	C	S	.	.			trans	-68.6	104.6	177.8	179.6	0	0	0	0	109	L335 Y463 Y491	L335-V489 HydrophobicContact CB-CB 4.19Å; L335-V489 HydrophobicContact CD2-CB 3.9Å; L335-V489 HydrophobicContact CD2-CG1 3.94Å; L335-V489 HydrophobicContact CD2-CG2 4.09Å; L335-V489 PolarHBondContact O-N 2.84Å; Y463-V489 HydrophobicContact CD1-CG2 4.2Å; Y463-V489 HydrophobicContact CE1-CG2 3.87Å; V489-Y491 WeakPolarHBondContact CG1-O 3.34Å
490	R	95.3	Very high	96.3	Very high	106 Å²	106	49.9 Å²	49.9	40%	0.4	26%	0.259	S	S	.	.			trans	-90.9	-29.7	178.1	-69.5	-58.5	-176.8	175.7	-5.2	112.7	H356 H462 I488	H356-R490 PolarHBondContact ND1-NH2 2.91Å; H356-R490 VanDerWaalsContact ND1-NH2 3.12Å; H462-R490 PolarHBondContact O-N 2.78Å; I488-R490 HydrophobicContact CG2-CG 4.15Å; I488-R490 PolarHBondContact O-N 3.17Å
491	Y	96.4	Very high	96.7	Very high	108 Å²	108	51.2 Å²	51.2	42%	0.424	28%	0.278	S	S	.	.	S	Bend	trans	-131.9	138	179	-58.2	-79.6	0	0	0	109.9	H461 H462 V489 T496	H461-Y491 AromaticContact CD2-CD2 3.58Å; H461-Y491 AromaticContact CE1-CD2 3.7Å; H461-Y491 AromaticContact CE1-CE2 3.6Å; H461-Y491 AromaticContact ND1-CE2 4Å; H461-Y491 AromaticContact NE2-CD2 3.34Å; H461-Y491 VanDerWaalsContact NE2-CD2 3.34Å; H461-Y491 WeakPolarHBondContact NE2-CD2 3.41Å; H461-Y491 AromaticContact NE2-CE2 3.74Å; H461-Y491 AromaticContact NE2-CG 3.52Å; H461-Y491 VanDerWaalsContact O-CD2 3.28Å; H461-Y491 WeakPolarHBondContact O-CD2 3.23Å; H462-Y491 PolarHBondContact CE1-O 2.94Å; H462-Y491 PolarHBondContact ND1-O 2.97Å; V489-Y491 WeakPolarHBondContact CG1-O 3.34Å; Y491-T496 PolarHBondContact O-OG1 2.94Å
492	S	96	Very high	96.9	Very high	45 Å²	45	51.9 Å²	51.9	32%	0.315	28%	0.281	S	S	.	.			trans	-63	166.9	178.2	80.9	0	0	0	0	111.7	E494 L495 T496	S492-E494 WeakPolarHBondContact CB-OE2 3.42Å; S492-E494 PolarHBondContact O-N 3.19Å; S492-E494 PolarHBondContact OG-N 3.27Å; S492-E494 PolarHBondContact OG-OE2 3.24Å; S492-L495 PolarHBondContact O-N 3.38Å; S492-L495 PolarHBondContact OG-N 3.28Å; S492-T496 WeakPolarHBondContact O-CB 3.3Å; S492-T496 PolarHBondContact O-N 2.94Å; S492-T496 PolarHBondContact O-OG1 3.11Å
493	A	96	Very high	97.1	Very high	19 Å²	19	47.7 Å²	47.7	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-56.1	-42.3	175	0	0	0	0	0	111.4	A497 V504 F507	A493-A497 WeakPolarHBondContact O-CB 3.25Å; A493-A497 PolarHBondContact O-N 2.89Å; A493-V504 HydrophobicContact CB-CG1 4.28Å; A493-F507 VanDerWaalsContact CA-CE1 3.48Å; A493-F507 HydrophobicContact CB-CD1 3.61Å; A493-F507 HydrophobicContact CB-CE1 3.42Å; A493-F507 VanDerWaalsContact CB-CE1 3.42Å; A493-F507 HydrophobicContact CB-CZ 4.39Å
494	E	97.6	Very high	97.3	Very high	113 Å²	113	48.2 Å²	48.2	53%	0.528	26%	0.264	S	S	.	.	H	α-helix	trans	-66.9	-45.3	-179.9	-53.7	73.4	-159.4	0	0	111.8	S492 A498 V504	S492-E494 WeakPolarHBondContact CB-OE2 3.42Å; S492-E494 PolarHBondContact O-N 3.19Å; S492-E494 PolarHBondContact OG-N 3.27Å; S492-E494 PolarHBondContact OG-OE2 3.24Å; E494-A498 VanDerWaalsContact O-CB 3.24Å; E494-A498 WeakPolarHBondContact O-CB 3.36Å; E494-A498 PolarHBondContact O-N 3.05Å; E494-V504 HydrophobicContact CB-CG2 4.48Å; E494-V504 HydrophobicContact CG-CG2 4.21Å
495	L	97.8	Very high	97.3	Very high	105 Å²	105	51.4 Å²	51.4	55%	0.55	28%	0.28	S	S	.	.	H	α-helix	trans	-66.9	-40.4	179.1	-70.4	177.9	0	0	0	111.6	S492 H499	S492-L495 PolarHBondContact O-N 3.38Å; S492-L495 PolarHBondContact OG-N 3.28Å; L495-H499 WeakPolarHBondContact O-CB 3.38Å; L495-H499 PolarHBondContact O-N 3.06Å
496	T	97.9	Very high	97.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-67	-47.9	177.7	-53.8	0	0	0	0	110.7	I458 H462 Y491 S492 A498 H499 F500 F507	I458-T496 HydrophobicContact CG2-CG2 3.85Å; H462-T496 HydrophobicContact CB-CG2 4.21Å; Y491-T496 PolarHBondContact O-OG1 2.94Å; S492-T496 WeakPolarHBondContact O-CB 3.3Å; S492-T496 PolarHBondContact O-N 2.94Å; S492-T496 PolarHBondContact O-OG1 3.11Å; T496-A498 VanDerWaalsContact C-N 3.32Å; T496-A498 PolarHBondContact O-N 2.88Å; T496-H499 WeakPolarHBondContact O-CB 3.36Å; T496-H499 PolarHBondContact O-N 3.29Å; T496-F500 HydrophobicContact CG2-CD2 3.97Å; T496-F500 HydrophobicContact CG2-CE2 4.06Å; T496-F500 WeakPolarHBondContact O-CD2 3.43Å; T496-F500 PolarHBondContact O-N 3.11Å; T496-F507 HydrophobicContact CG2-CD2 3.83Å; T496-F507 HydrophobicContact CG2-CE2 3.47Å; T496-F507 VanDerWaalsContact CG2-CE2 3.47Å; T496-F507 HydrophobicContact CG2-CZ 4.41Å
497	A	97.4	Very high	97.3	Very high	2 Å²	2	55.1 Å²	55.1	2%	0.017	30%	0.296	C	S	.	.	H	α-helix	trans	-58.4	-45	177.8	0	0	0	0	0	111.5	A493 H499 F500 G501 I502 V504 F507	A493-A497 WeakPolarHBondContact O-CB 3.25Å; A493-A497 PolarHBondContact O-N 2.89Å; A497-H499 PolarHBondContact O-N 2.66Å; A497-F500 PolarHBondContact O-N 3.08Å; A497-G501 PolarHBondContact O-N 3.16Å; A497-I502 CarbonylContact C-O 3.58Å; A497-I502 HydrophobicContact CB-CG1 4.13Å; A497-I502 WeakPolarHBondContact CB-O 3.42Å; A497-I502 PolarHBondContact O-N 3.07Å; A497-V504 HydrophobicContact CB-CG2 4.1Å; A497-F507 HydrophobicContact CB-CB 4.09Å
498	A	97.7	Very high	97.2	Very high	76 Å²	76	58.3 Å²	58.3	63%	0.628	31%	0.313	S	S	*	.	H	α-helix	trans	-63	-40.5	175.8	0	0	0	0	0	113	E494 T496 F500 G501	E494-A498 VanDerWaalsContact O-CB 3.24Å; E494-A498 WeakPolarHBondContact O-CB 3.36Å; E494-A498 PolarHBondContact O-N 3.05Å; T496-A498 VanDerWaalsContact C-N 3.32Å; T496-A498 PolarHBondContact O-N 2.88Å; A498-F500 VanDerWaalsContact C-N 3.29Å; A498-F500 PolarHBondContact O-N 3.45Å; A498-G501 PolarHBondContact O-N 3.49Å
499	H	97.4	Very high	97.2	Very high	114 Å²	114	63.3 Å²	63.3	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-59.4	-40.3	178.1	-177.1	76.3	0	0	0	112.2	H461 L495 T496 A497	H461-H499 AromaticContact CE1-CD2 3.86Å; H461-H499 AromaticContact CE1-CG 3.92Å; H461-H499 AromaticContact ND1-CD2 4Å; H461-H499 AromaticContact NE2-CG 3.97Å; L495-H499 WeakPolarHBondContact O-CB 3.38Å; L495-H499 PolarHBondContact O-N 3.06Å; T496-H499 WeakPolarHBondContact O-CB 3.36Å; T496-H499 PolarHBondContact O-N 3.29Å; A497-H499 PolarHBondContact O-N 2.66Å
500	F	97.9	Very high	97.2	Very high	18 Å²	18	63.1 Å²	63.1	8%	0.079	33%	0.334	C	S	.	.	H	α-helix	trans	-94.8	1.1	-179.5	-68	-77	0	0	0	114.2	A449 V450 A453 D457 I458 H461 T496 A497 A498 I502	A449-F500 CarbonylContact C-O 3.52Å; A449-F500 WeakPolarHBondContact CA-O 3.33Å; V450-F500 PolarHBondContact N-O 3.13Å; A453-F500 HydrophobicContact CB-CD1 3.59Å; A453-F500 HydrophobicContact CB-CE1 3.75Å; D457-F500 HydrophobicContact CB-CE1 4.25Å; D457-F500 HydrophobicContact CB-CZ 4.43Å; D457-F500 WeakPolarHBondContact O-CZ 3.31Å; I458-F500 HydrophobicContact CB-CD2 4.23Å; I458-F500 HydrophobicContact CB-CE2 4.13Å; I458-F500 HydrophobicContact CB-CZ 4.48Å; I458-F500 HydrophobicContact CD1-CB 4.38Å; I458-F500 HydrophobicContact CD1-CG 4.29Å; I458-F500 HydrophobicContact CG1-CB 4.41Å; I458-F500 HydrophobicContact CG1-CD1 3.94Å; I458-F500 HydrophobicContact CG1-CD2 3.81Å; I458-F500 HydrophobicContact CG1-CE1 4.1Å; I458-F500 HydrophobicContact CG1-CE2 4Å; I458-F500 HydrophobicContact CG1-CG 3.79Å; I458-F500 HydrophobicContact CG1-CZ 4.13Å; I458-F500 HydrophobicContact CG2-CD2 4.08Å; I458-F500 HydrophobicContact CG2-CE2 4.24Å; H461-F500 HydrophobicContact CB-CE2 3.68Å; H461-F500 HydrophobicContact CB-CZ 3.86Å; H461-F500 AromaticContact CG-CE2 3.86Å; T496-F500 HydrophobicContact CG2-CD2 3.97Å; T496-F500 HydrophobicContact CG2-CE2 4.06Å; T496-F500 WeakPolarHBondContact O-CD2 3.43Å; T496-F500 PolarHBondContact O-N 3.11Å; A497-F500 PolarHBondContact O-N 3.08Å; A498-F500 VanDerWaalsContact C-N 3.29Å; A498-F500 PolarHBondContact O-N 3.45Å; F500-I502 VanDerWaalsContact C-N 3.31Å; F500-I502 HydrophobicContact CB-CG1 4.38Å; F500-I502 PolarHBondContact O-N 2.87Å
501	G	97.2	Very high	97.3	Very high	48 Å²	48	58 Å²	58	50%	0.495	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	26.8	179.4	0	0	0	0	0	114.6	A497 A498	A497-G501 PolarHBondContact O-N 3.16Å; A498-G501 PolarHBondContact O-N 3.49Å
502	I	97.5	Very high	97.3	Very high	21 Å²	21	56.9 Å²	56.9	11%	0.108	32%	0.319	C	S	.	.			trans	-108	166.4	177	62.3	171.6	0	0	0	110.9	A449 I458 A497 F500 F507 L510	A449-I502 HydrophobicContact CB-CG2 4.02Å; I458-I502 HydrophobicContact CD1-CD1 3.99Å; A497-I502 CarbonylContact C-O 3.58Å; A497-I502 HydrophobicContact CB-CG1 4.13Å; A497-I502 WeakPolarHBondContact CB-O 3.42Å; A497-I502 PolarHBondContact O-N 3.07Å; F500-I502 VanDerWaalsContact C-N 3.31Å; F500-I502 HydrophobicContact CB-CG1 4.38Å; F500-I502 PolarHBondContact O-N 2.87Å; I502-F507 HydrophobicContact CD1-CB 3.92Å; I502-L510 HydrophobicContact CD1-CD1 3.91Å
503	T	97.4	Very high	97.4	Very high	79 Å²	79	57.6 Å²	57.6	49%	0.485	32%	0.324	S	S	.	.			trans	-79.4	159.1	173.9	70.2	0	0	0	0	111.3	E505 K506 F507	T503-E505 VanDerWaalsContact C-N 3.29Å; T503-E505 WeakPolarHBondContact CB-OE2 3.31Å; T503-E505 PolarHBondContact O-N 3.31Å; T503-E505 PolarHBondContact OG1-OE2 2.96Å; T503-K506 PolarHBondContact O-N 3.29Å; T503-K506 WeakPolarHBondContact OG1-CB 3.32Å; T503-K506 PolarHBondContact OG1-N 3.33Å; T503-K506 VanDerWaalsContact OG1-N 3.14Å; T503-F507 PolarHBondContact O-N 3.28Å
504	V	97.4	Very high	97.5	Very high	43 Å²	43	56.7 Å²	56.7	26%	0.261	32%	0.317	S	S	.	.	H	α-helix	trans	-64.7	-37.5	177.3	175.2	0	0	0	0	110.8	A493 E494 A497 K506 F507 N508	A493-V504 HydrophobicContact CB-CG1 4.28Å; E494-V504 HydrophobicContact CB-CG2 4.48Å; E494-V504 HydrophobicContact CG-CG2 4.21Å; A497-V504 HydrophobicContact CB-CG2 4.1Å; V504-K506 VanDerWaalsContact C-N 3.33Å; V504-K506 PolarHBondContact O-N 2.88Å; V504-F507 WeakPolarHBondContact O-CB 3.45Å; V504-F507 PolarHBondContact O-N 2.84Å; V504-N508 VanDerWaalsContact O-CG 3.28Å; V504-N508 PolarHBondContact O-N 3.02Å; V504-N508 PolarHBondContact O-ND2 3.23Å
505	E	97.2	Very high	97.5	Very high	129 Å²	129	55.2 Å²	55.2	60%	0.603	31%	0.306	S	S	*	.	H	α-helix	trans	-60.8	-45.6	175.3	-60.1	70.9	-152.8	0	0	110.3	T503 F507 N508 E509	T503-E505 VanDerWaalsContact C-N 3.29Å; T503-E505 WeakPolarHBondContact CB-OE2 3.31Å; T503-E505 PolarHBondContact O-N 3.31Å; T503-E505 PolarHBondContact OG1-OE2 2.96Å; E505-F507 PolarHBondContact O-N 3.31Å; E505-N508 PolarHBondContact O-N 3.05Å; E505-E509 PolarHBondContact O-N 3.01Å
506	K	96.9	Very high	97.4	Very high	81 Å²	81	51.7 Å²	51.7	35%	0.352	30%	0.296	S	S	.	.	H	α-helix	trans	-65.4	-41.5	178.1	-172.5	57.3	178.8	177.9	0	111.7	T503 V504 N508 E509 L510	T503-K506 PolarHBondContact O-N 3.29Å; T503-K506 WeakPolarHBondContact OG1-CB 3.32Å; T503-K506 PolarHBondContact OG1-N 3.33Å; T503-K506 VanDerWaalsContact OG1-N 3.14Å; V504-K506 VanDerWaalsContact C-N 3.33Å; V504-K506 PolarHBondContact O-N 2.88Å; K506-N508 VanDerWaalsContact C-N 3.33Å; K506-N508 PolarHBondContact O-N 3.03Å; K506-E509 WeakPolarHBondContact CD-OE2 3.46Å; K506-E509 IonicContact NZ-OE2 2.94Å; K506-E509 PolarHBondContact NZ-OE2 3.36Å; K506-E509 PolarHBondContact O-N 2.93Å; K506-L510 HydrophobicContact CG-CD1 4.1Å; K506-L510 HydrophobicContact CG-CG 4.47Å; K506-L510 WeakPolarHBondContact O-CB 3.3Å; K506-L510 WeakPolarHBondContact O-CG 3.36Å; K506-L510 PolarHBondContact O-N 3.41Å
507	F	97.8	Very high	97.4	Very high	4 Å²	4	55 Å²	55	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-57	-45.7	173.3	168.1	-93.3	0	0	0	111.7	I458 H462 A493 T496 A497 I502 T503 V504 E505 E509 L510 M511	I458-F507 HydrophobicContact CG2-CD2 3.96Å; I458-F507 HydrophobicContact CG2-CE2 4.12Å; H462-F507 HydrophobicContact CB-CE2 4.25Å; H462-F507 HydrophobicContact CB-CZ 4.35Å; H462-F507 AromaticContact CD2-CZ 3.89Å; H462-F507 AromaticContact CE1-CZ 3.71Å; H462-F507 AromaticContact CG-CZ 3.7Å; H462-F507 AromaticContact ND1-CZ 3.59Å; H462-F507 AromaticContact NE2-CZ 3.89Å; A493-F507 VanDerWaalsContact CA-CE1 3.48Å; A493-F507 HydrophobicContact CB-CD1 3.61Å; A493-F507 HydrophobicContact CB-CE1 3.42Å; A493-F507 VanDerWaalsContact CB-CE1 3.42Å; A493-F507 HydrophobicContact CB-CZ 4.39Å; T496-F507 HydrophobicContact CG2-CD2 3.83Å; T496-F507 HydrophobicContact CG2-CE2 3.47Å; T496-F507 VanDerWaalsContact CG2-CE2 3.47Å; T496-F507 HydrophobicContact CG2-CZ 4.41Å; A497-F507 HydrophobicContact CB-CB 4.09Å; I502-F507 HydrophobicContact CD1-CB 3.92Å; T503-F507 PolarHBondContact O-N 3.28Å; V504-F507 WeakPolarHBondContact O-CB 3.45Å; V504-F507 PolarHBondContact O-N 2.84Å; E505-F507 PolarHBondContact O-N 3.31Å; F507-E509 PolarHBondContact O-N 3.32Å; F507-L510 PolarHBondContact O-N 2.85Å; F507-M511 HydrophobicContact CD1-CG 4.19Å; F507-M511 HydrophobicContact CD2-CG 3.98Å; F507-M511 HydrophobicContact CE1-CG 3.66Å; F507-M511 HydrophobicContact CE2-CE 4.13Å; F507-M511 HydrophobicContact CE2-CG 3.42Å; F507-M511 VanDerWaalsContact CE2-CG 3.42Å; F507-M511 HydrophobicContact CE2-SD 3.79Å; F507-M511 HydrophobicContact CG-CG 4.34Å; F507-M511 HydrophobicContact CZ-CG 3.26Å; F507-M511 HydrophobicContact CZ-SD 3.95Å; F507-M511 WeakPolarHBondContact O-CG 3.45Å; F507-M511 PolarHBondContact O-N 3.09Å
508	N	96.9	Very high	97.4	Very high	78 Å²	78	54.9 Å²	54.9	42%	0.417	31%	0.307	S	S	.	.	H	α-helix	trans	-63.7	-40.4	179.9	-72.7	-28.2	0	0	0	112.6	V504 E505 K506 T512	V504-N508 VanDerWaalsContact O-CG 3.28Å; V504-N508 PolarHBondContact O-N 3.02Å; V504-N508 PolarHBondContact O-ND2 3.23Å; E505-N508 PolarHBondContact O-N 3.05Å; K506-N508 VanDerWaalsContact C-N 3.33Å; K506-N508 PolarHBondContact O-N 3.03Å; N508-T512 WeakPolarHBondContact O-CB 3.26Å; N508-T512 PolarHBondContact O-N 3.03Å; N508-T512 PolarHBondContact O-OG1 2.82Å
509	E	97.1	Very high	97.2	Very high	114 Å²	114	52.6 Å²	52.6	53%	0.533	29%	0.288	S	S	.	.	H	α-helix	trans	-59	-49.1	172	-70.9	174.9	-175.9	0	0	111.2	E505 K506 F507 T512 S513	E505-E509 PolarHBondContact O-N 3.01Å; K506-E509 WeakPolarHBondContact CD-OE2 3.46Å; K506-E509 IonicContact NZ-OE2 2.94Å; K506-E509 PolarHBondContact NZ-OE2 3.36Å; K506-E509 PolarHBondContact O-N 2.93Å; F507-E509 PolarHBondContact O-N 3.32Å; E509-T512 PolarHBondContact O-N 2.93Å; E509-S513 PolarHBondContact O-N 2.75Å
510	L	97.9	Very high	97.1	Very high	22 Å²	22	53.3 Å²	53.3	12%	0.115	29%	0.292	C	S	.	.	H	α-helix	trans	-63.3	-44.4	-178.8	-70.8	171.4	0	0	0	111.9	V446 L455 I458 I502 K506 F507 T512 S513 A514	V446-L510 HydrophobicContact CG1-CD1 3.6Å; V446-L510 HydrophobicContact CG1-CD2 4.43Å; V446-L510 HydrophobicContact CG2-CD1 4.12Å; V446-L510 HydrophobicContact CG2-CD2 4.18Å; L455-L510 HydrophobicContact CD1-CB 3.74Å; L455-L510 HydrophobicContact CD1-CD2 4.14Å; L455-L510 HydrophobicContact CD1-CG 4.4Å; I458-L510 HydrophobicContact CD1-CD1 4.13Å; I502-L510 HydrophobicContact CD1-CD1 3.91Å; K506-L510 HydrophobicContact CG-CD1 4.1Å; K506-L510 HydrophobicContact CG-CG 4.47Å; K506-L510 WeakPolarHBondContact O-CB 3.3Å; K506-L510 WeakPolarHBondContact O-CG 3.36Å; K506-L510 PolarHBondContact O-N 3.41Å; F507-L510 PolarHBondContact O-N 2.85Å; L510-T512 VanDerWaalsContact C-N 3.33Å; L510-T512 PolarHBondContact O-N 3.12Å; L510-S513 PolarHBondContact O-N 3.41Å; L510-A514 WeakPolarHBondContact O-CB 3.48Å; L510-A514 PolarHBondContact O-N 2.7Å
511	M	97.8	Very high	96.9	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.3	-35.9	177.4	-70.5	-56.2	96.7	0	0	112.4	L455 I458 F459 H462 Y463 F507 A514 R515	L455-M511 HydrophobicContact CD1-CE 4.01Å; I458-M511 HydrophobicContact CB-CE 4.41Å; I458-M511 HydrophobicContact CG2-CE 3.87Å; F459-M511 HydrophobicContact CB-CE 4.2Å; F459-M511 HydrophobicContact CD2-CE 4.4Å; F459-M511 HydrophobicContact CD2-SD 4.09Å; H462-M511 HydrophobicContact CB-SD 4.44Å; Y463-M511 HydrophobicContact CE2-SD 4.27Å; F507-M511 HydrophobicContact CD1-CG 4.19Å; F507-M511 HydrophobicContact CD2-CG 3.98Å; F507-M511 HydrophobicContact CE1-CG 3.66Å; F507-M511 HydrophobicContact CE2-CE 4.13Å; F507-M511 HydrophobicContact CE2-CG 3.42Å; F507-M511 VanDerWaalsContact CE2-CG 3.42Å; F507-M511 HydrophobicContact CE2-SD 3.79Å; F507-M511 HydrophobicContact CG-CG 4.34Å; F507-M511 HydrophobicContact CZ-CG 3.26Å; F507-M511 HydrophobicContact CZ-SD 3.95Å; F507-M511 WeakPolarHBondContact O-CG 3.45Å; F507-M511 PolarHBondContact O-N 3.09Å; M511-A514 PolarHBondContact O-N 2.88Å; M511-R515 WeakPolarHBondContact O-CB 3.25Å; M511-R515 WeakPolarHBondContact O-CG 3.23Å; M511-R515 PolarHBondContact O-N 2.89Å
512	T	96.7	Very high	96.7	Very high	84 Å²	84	52.1 Å²	52.1	52%	0.515	28%	0.275	S	S	.	.	H	α-helix	trans	-63.2	-45.3	173.9	-61.1	0	0	0	0	110.9	N508 E509 L510 G516	N508-T512 WeakPolarHBondContact O-CB 3.26Å; N508-T512 PolarHBondContact O-N 3.03Å; N508-T512 PolarHBondContact O-OG1 2.82Å; E509-T512 PolarHBondContact O-N 2.93Å; L510-T512 VanDerWaalsContact C-N 3.33Å; L510-T512 PolarHBondContact O-N 3.12Å; T512-G516 PolarHBondContact O-N 2.77Å
513	S	97.1	Very high	96.4	Very high	60 Å²	60	58.5 Å²	58.5	42%	0.42	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-44.7	175	177.5	0	0	0	0	112.4	E509 L510 G516 R517	E509-S513 PolarHBondContact O-N 2.75Å; L510-S513 PolarHBondContact O-N 3.41Å; S513-G516 PolarHBondContact O-N 3.15Å; S513-R517 WeakPolarHBondContact O-CG 3.32Å; S513-R517 PolarHBondContact O-N 2.98Å; S513-R517 VanDerWaalsContact O-N 3.09Å
514	A	98	Very high	96.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-49.9	-180	0	0	0	0	0	112	L442 L455 F459 L510 M511 G516 R517 M518	L442-A514 HydrophobicContact CD1-CB 3.81Å; L442-A514 HydrophobicContact CD2-CB 3.91Å; L455-A514 HydrophobicContact CD1-CB 4.23Å; L455-A514 HydrophobicContact CD2-CB 4.16Å; L455-A514 HydrophobicContact CG-CB 4.23Å; F459-A514 HydrophobicContact CD2-CB 3.65Å; F459-A514 HydrophobicContact CE2-CB 4.17Å; L510-A514 WeakPolarHBondContact O-CB 3.48Å; L510-A514 PolarHBondContact O-N 2.7Å; M511-A514 PolarHBondContact O-N 2.88Å; A514-G516 VanDerWaalsContact C-N 3.29Å; A514-G516 PolarHBondContact O-N 3.35Å; A514-R517 PolarHBondContact O-N 2.88Å; A514-M518 WeakPolarHBondContact O-CG 3.5Å; A514-M518 PolarHBondContact O-N 2.86Å
515	R	97.6	Very high	95.9	Very high	81 Å²	81	60.7 Å²	60.7	31%	0.306	31%	0.308	S	S	.	.	H	α-helix	trans	-59.4	-40.2	176	-73.3	-169.8	-65.3	-93.8	-0.2	111.9	H341 I342 Y463 M511 M518 A519	H341-R515 WeakPolarHBondContact O-CD 3.42Å; I342-R515 HydrophobicContact CD1-CG 4.11Å; Y463-R515 PolarHBondContact OH-NH1 3.44Å; M511-R515 WeakPolarHBondContact O-CB 3.25Å; M511-R515 WeakPolarHBondContact O-CG 3.23Å; M511-R515 PolarHBondContact O-N 2.89Å; R515-M518 PolarHBondContact O-N 2.85Å; R515-A519 VanDerWaalsContact O-CB 3.29Å; R515-A519 WeakPolarHBondContact O-CB 3.17Å; R515-A519 PolarHBondContact O-N 2.82Å
516	G	96.8	Very high	95.7	Very high	32 Å²	32	56.1 Å²	56.1	33%	0.33	29%	0.289	S	S	.	.	H	α-helix	trans	-57.4	-49.9	175.8	0	0	0	0	0	112.9	T512 S513 A514 M518 A519 E520	T512-G516 PolarHBondContact O-N 2.77Å; S513-G516 PolarHBondContact O-N 3.15Å; A514-G516 VanDerWaalsContact C-N 3.29Å; A514-G516 PolarHBondContact O-N 3.35Å; G516-M518 VanDerWaalsContact C-N 3.35Å; G516-M518 PolarHBondContact O-N 3.28Å; G516-A519 WeakPolarHBondContact O-CB 3.37Å; G516-A519 PolarHBondContact O-N 3.37Å; G516-E520 PolarHBondContact O-N 2.85Å
517	R	97.3	Very high	95.4	Very high	69 Å²	69	58.2 Å²	58.2	26%	0.26	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-39.1	178.2	-68.5	167.4	70.1	163.8	11.8	112.6	L441 L442 D444 S513 A514 A519 E520 V521	L441-R517 PolarHBondContact O-NE 2.74Å; L441-R517 PolarHBondContact O-NH2 3.35Å; L442-R517 HydrophobicContact CD2-CB 4.29Å; D444-R517 IonicContact OD2-CZ 3.7Å; D444-R517 IonicContact OD2-NH1 3.68Å; D444-R517 PolarHBondContact OD2-NH1 3.35Å; D444-R517 IonicContact OD2-NH2 3.6Å; S513-R517 WeakPolarHBondContact O-CG 3.32Å; S513-R517 PolarHBondContact O-N 2.98Å; S513-R517 VanDerWaalsContact O-N 3.09Å; A514-R517 PolarHBondContact O-N 2.88Å; R517-A519 VanDerWaalsContact C-N 3.34Å; R517-E520 PolarHBondContact O-N 2.87Å; R517-V521 PolarHBondContact O-N 2.76Å
518	M	97	Very high	95.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.9	-34.7	175.8	-67.7	-178.2	73.1	0	0	111.8	I342 W433 V438 L442 F459 L487 A514 R515 G516 V521 R522	I342-M518 HydrophobicContact CD1-CB 3.87Å; I342-M518 HydrophobicContact CD1-CE 4.04Å; I342-M518 HydrophobicContact CD1-SD 3.89Å; I342-M518 HydrophobicContact CG1-CB 4.36Å; I342-M518 HydrophobicContact CG1-CE 4.37Å; I342-M518 HydrophobicContact CG2-CB 3.97Å; W433-M518 HydrophobicContact CD2-CE 3.34Å; W433-M518 HydrophobicContact CE3-CE 3.73Å; W433-M518 HydrophobicContact CG-CE 3.8Å; W433-M518 HydrophobicContact CH2-CB 3.94Å; W433-M518 HydrophobicContact CH2-CE 3.97Å; W433-M518 HydrophobicContact CH2-CG 4.33Å; W433-M518 HydrophobicContact CZ2-CB 4.01Å; W433-M518 HydrophobicContact CZ2-CE 3.6Å; W433-M518 HydrophobicContact CZ3-CE 4.03Å; V438-M518 HydrophobicContact CG2-CE 4.32Å; L442-M518 HydrophobicContact CD1-SD 4.32Å; F459-M518 HydrophobicContact CD1-SD 4.37Å; F459-M518 HydrophobicContact CD2-SD 4.35Å; F459-M518 HydrophobicContact CE1-CE 3.94Å; F459-M518 HydrophobicContact CE1-SD 3.62Å; F459-M518 HydrophobicContact CE2-SD 3.56Å; F459-M518 VanDerWaalsContact CE2-SD 3.56Å; F459-M518 HydrophobicContact CZ-CE 3.78Å; F459-M518 HydrophobicContact CZ-SD 3.16Å; F459-M518 WeakPolarHBondContact CZ-SD 3.48Å; L487-M518 HydrophobicContact CD1-CE 4.39Å; A514-M518 WeakPolarHBondContact O-CG 3.5Å; A514-M518 PolarHBondContact O-N 2.86Å; R515-M518 PolarHBondContact O-N 2.85Å; G516-M518 VanDerWaalsContact C-N 3.35Å; G516-M518 PolarHBondContact O-N 3.28Å; M518-V521 PolarHBondContact O-N 2.95Å; M518-R522 WeakPolarHBondContact O-CG 3.26Å; M518-R522 PolarHBondContact O-N 2.73Å
519	A	95.3	Very high	95	Very high	28 Å²	28	58.4 Å²	58.4	23%	0.231	29%	0.294	C	S	.	.	H	α-helix	trans	-66.5	-37.1	174.2	0	0	0	0	0	112.1	I342 R515 G516 R517 V521 R522 Q523	I342-A519 HydrophobicContact CG2-CB 4.02Å; R515-A519 VanDerWaalsContact O-CB 3.29Å; R515-A519 WeakPolarHBondContact O-CB 3.17Å; R515-A519 PolarHBondContact O-N 2.82Å; G516-A519 WeakPolarHBondContact O-CB 3.37Å; G516-A519 PolarHBondContact O-N 3.37Å; R517-A519 VanDerWaalsContact C-N 3.34Å; A519-V521 VanDerWaalsContact C-N 3.33Å; A519-V521 PolarHBondContact O-N 2.87Å; A519-R522 WeakPolarHBondContact O-CB 2.83Å; A519-R522 PolarHBondContact O-N 2.86Å; A519-R522 VanDerWaalsContact O-N 3.17Å; A519-Q523 WeakPolarHBondContact O-CG 3.37Å; A519-Q523 PolarHBondContact O-N 3.3Å; A519-Q523 VanDerWaalsContact O-N 3.13Å
520	E	95.2	Very high	94.8	Very high	129 Å²	129	55.3 Å²	55.3	60%	0.603	28%	0.281	S	S	*	.	H	α-helix	trans	-59.3	-43.4	172.7	-71.2	171.2	-174.5	0	0	111.5	G516 R517 R522 Q523	G516-E520 PolarHBondContact O-N 2.85Å; R517-E520 PolarHBondContact O-N 2.87Å; E520-R522 VanDerWaalsContact C-N 3.33Å; E520-R522 PolarHBondContact O-N 2.92Å; E520-Q523 WeakPolarHBondContact O-CB 3.5Å; E520-Q523 PolarHBondContact O-N 3.02Å
521	V	93.8	Very high	94.6	Very high	32 Å²	32	54.2 Å²	54.2	19%	0.194	28%	0.276	C	S	.	.	H	α-helix	trans	-65.5	-37.8	175	174.8	0	0	0	0	111.6	W433 L441 R517 M518 A519 Q523 I524 R525	W433-V521 HydrophobicContact CH2-CB 4.15Å; W433-V521 HydrophobicContact CH2-CG1 4.05Å; W433-V521 HydrophobicContact CZ3-CB 4.46Å; W433-V521 HydrophobicContact CZ3-CG1 4.06Å; L441-V521 HydrophobicContact CD1-CB 4.46Å; L441-V521 HydrophobicContact CD1-CG1 4.5Å; L441-V521 HydrophobicContact CD1-CG2 3.9Å; L441-V521 HydrophobicContact CD2-CG2 3.52Å; L441-V521 HydrophobicContact CG-CG2 4.38Å; R517-V521 PolarHBondContact O-N 2.76Å; M518-V521 PolarHBondContact O-N 2.95Å; A519-V521 VanDerWaalsContact C-N 3.33Å; A519-V521 PolarHBondContact O-N 2.87Å; V521-Q523 PolarHBondContact O-N 2.81Å; V521-I524 WeakPolarHBondContact O-CG1 3.47Å; V521-I524 PolarHBondContact O-N 3.24Å; V521-R525 PolarHBondContact O-N 3.38Å
522	R	92.7	Very high	94.4	Very high	8 Å²	8	55.9 Å²	55.9	3%	0.03	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-31.7	175.4	-76.4	-92.2	-72.5	178	-2.5	112.4	D340 I342 F430 C431 W433 M518 A519 E520 I524 R525	D340-R522 IonicContact OD2-CZ 3.16Å; D340-R522 IonicContact OD2-NH2 3.81Å; D340-R522 PolarHBondContact OD2-NH2 2.97Å; I342-R522 HydrophobicContact CG2-CG 3.92Å; F430-R522 WeakPolarHBondContact CE2-O 3.34Å; F430-R522 VanDerWaalsContact O-CD 3.24Å; F430-R522 WeakPolarHBondContact O-CD 3.48Å; F430-R522 PolarHBondContact O-NH1 3.45Å; C431-R522 PolarHBondContact SG-NH1 2.96Å; W433-R522 HydrophobicContact CH2-CG 4.21Å; W433-R522 HydrophobicContact CZ2-CG 3.82Å; M518-R522 WeakPolarHBondContact O-CG 3.26Å; M518-R522 PolarHBondContact O-N 2.73Å; A519-R522 WeakPolarHBondContact O-CB 2.83Å; A519-R522 PolarHBondContact O-N 2.86Å; A519-R522 VanDerWaalsContact O-N 3.17Å; E520-R522 VanDerWaalsContact C-N 3.33Å; E520-R522 PolarHBondContact O-N 2.92Å; R522-I524 VanDerWaalsContact C-N 3.25Å; R522-I524 PolarHBondContact O-N 3.25Å; R522-R525 PolarHBondContact O-N 3.1Å
523	Q	90.6	Very high	94.3	Very high	156 Å²	156	51.9 Å²	51.9	73%	0.729	26%	0.261	S	S	*	.	H	α-helix	trans	-66.3	-25.2	178.9	-68.5	174.9	13.3	0	0	113.8	A519 E520 V521	A519-Q523 WeakPolarHBondContact O-CG 3.37Å; A519-Q523 PolarHBondContact O-N 3.3Å; A519-Q523 VanDerWaalsContact O-N 3.13Å; E520-Q523 WeakPolarHBondContact O-CB 3.5Å; E520-Q523 PolarHBondContact O-N 3.02Å; V521-Q523 PolarHBondContact O-N 2.81Å
524	I	90.7	Very high	94.3	Very high	134 Å²	134	49 Å²	49	69%	0.687	24%	0.241	S	C	*	.	H	α-helix	trans	-98.4	-10.4	-179.2	62.6	166	0	0	0	113.6	V521 R522	V521-I524 WeakPolarHBondContact O-CG1 3.47Å; V521-I524 PolarHBondContact O-N 3.24Å; R522-I524 VanDerWaalsContact C-N 3.25Å; R522-I524 PolarHBondContact O-N 3.25Å
525	R	92.7	Very high	94.4	Very high	33 Å²	33	49 Å²	49	13%	0.125	24%	0.241	C	C	.	.	S	Bend	trans	-69.9	147.4	174.6	-74.2	-178.9	175.3	-170.6	-5.6	109.9	F430 V432 W433 E437 V521 R522 R527	F430-R525 HydrophobicContact CD2-CB 3.77Å; F430-R525 HydrophobicContact CE2-CB 3.98Å; F430-R525 WeakPolarHBondContact O-CD 3.41Å; F430-R525 PolarHBondContact O-NH1 2.91Å; V432-R525 PolarHBondContact O-NH1 3.4Å; W433-R525 VanDerWaalsContact CE3-NH2 3.25Å; W433-R525 VanDerWaalsContact CZ3-NH2 3.3Å; E437-R525 IonicContact OE1-NH2 2.75Å; E437-R525 PolarHBondContact OE1-NH2 3.07Å; E437-R525 IonicContact OE2-NH2 3.5Å; V521-R525 PolarHBondContact O-N 3.38Å; R522-R525 PolarHBondContact O-N 3.1Å; R525-R527 PolarHBondContact O-N 3.5Å
526	P	93.3	Very high	94.4	Very high	33 Å²	33	45.1 Å²	45.1	21%	0.214	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-55.4	118.7	170.4	-23.2	34.2	0	0	0	109.8	V417 P420 F430	V417-P526 HydrophobicContact CB-CB 4.24Å; V417-P526 HydrophobicContact CB-CG 4.49Å; V417-P526 WeakPolarHBondContact O-CB 3.35Å; V417-P526 WeakPolarHBondContact O-CG 3.26Å; P420-P526 HydrophobicContact CG-CG 4.11Å; F430-P526 WeakPolarHBondContact CD2-O 3.15Å
527	R	92.1	Very high	94.5	Very high	125 Å²	125	43.6 Å²	43.6	47%	0.472	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-71.3	149.6	-178.9	-66.9	-165.2	65.8	143.7	4.9	110.4	D400 E412 F430 R525	D400-R527 IonicContact OD1-CZ 3.88Å; D400-R527 VanDerWaalsContact OD1-CZ 3.26Å; D400-R527 IonicContact OD1-NH1 2.63Å; D400-R527 PolarHBondContact OD1-NH1 2.57Å; D400-R527 IonicContact OD1-NH2 3.92Å; D400-R527 PolarHBondContact OD1-NH2 3.37Å; E412-R527 IonicContact OE1-CZ 3.08Å; E412-R527 IonicContact OE1-NE 2.78Å; E412-R527 IonicContact OE1-NH2 2.68Å; E412-R527 PolarHBondContact OE1-NH2 3.49Å; F430-R527 HydrophobicContact CE2-CG 4.06Å; F430-R527 HydrophobicContact CZ-CG 4.13Å; R525-R527 PolarHBondContact O-N 3.5Å
528	P	92.7	Very high	94.6	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.058	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-60.9	155.6	164.9	-11	26.1	0	0	0	109.4	E412 D413 F430 L530	E412-P528 HydrophobicContact CG-CB 3.84Å; E412-P528 HydrophobicContact CG-CG 3.98Å; D413-P528 HydrophobicContact CB-CB 3.96Å; D413-P528 WeakPolarHBondContact O-CB 3.33Å; F430-P528 HydrophobicContact CB-CG 3.87Å; F430-P528 HydrophobicContact CD1-CG 3.49Å; F430-P528 VanDerWaalsContact CD1-CG 3.49Å; F430-P528 HydrophobicContact CE1-CG 4.31Å; F430-P528 VanDerWaalsContact CG-CD 3.49Å; F430-P528 HydrophobicContact CG-CG 3.86Å; P528-L530 PolarHBondContact O-N 2.9Å
529	H	92.1	Very high	94.7	Very high	77 Å²	77	40.4 Å²	40.4	36%	0.356	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-64.6	137.1	178.1	175.6	-85.3	0	0	0	110.3	D413	D413-H529 HydrophobicContact CB-CB 3.93Å; D413-H529 WeakPolarHBondContact CB-O 3.5Å; D413-H529 PolarHBondContact N-O 2.84Å
530	L	92.9	Very high	94.8	Very high	49 Å²	49	39.1 Å²	39.1	26%	0.257	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.6	175.6	178.4	67.3	0	0	0	109.1	L401 Y409 P528 T532	L401-L530 HydrophobicContact CD2-CD1 3.63Å; Y409-L530 HydrophobicContact CD2-CD1 4.15Å; Y409-L530 HydrophobicContact CD2-CD2 3.65Å; Y409-L530 HydrophobicContact CD2-CG 4.22Å; Y409-L530 HydrophobicContact CE2-CD2 3.84Å; Y409-L530 HydrophobicContact CG-CD1 4.36Å; Y409-L530 HydrophobicContact CG-CD2 4.24Å; Y409-L530 HydrophobicContact CG-CG 4.4Å; P528-L530 PolarHBondContact O-N 2.9Å; L530-T532 HydrophobicContact CD2-CG2 4.21Å; L530-T532 HydrophobicContact CG-CG2 4.25Å; L530-T532 PolarHBondContact O-N 3.03Å; L530-T532 VanDerWaalsContact O-N 3.15Å
531	D	94.5	Very high	95	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	101.7	168.9	-167.8	-26.1	0	0	0	109.3	P100 S137 T138 Y409 S410 A411 K533	P100-D531 WeakPolarHBondContact CG-OD1 3.18Å; S137-D531 WeakPolarHBondContact CB-OD2 3.48Å; S137-D531 VanDerWaalsContact OG-CB 3.3Å; S137-D531 WeakPolarHBondContact OG-CB 3.06Å; S137-D531 VanDerWaalsContact OG-CG 3.24Å; S137-D531 PolarHBondContact OG-OD2 3.32Å; T138-D531 HydrophobicContact CG2-CB 4.37Å; Y409-D531 WeakPolarHBondContact CB-O 3.16Å; S410-D531 PolarHBondContact N-O 3.03Å; S410-D531 WeakPolarHBondContact OG-CB 3.35Å; S410-D531 PolarHBondContact OG-O 3.44Å; S410-D531 PolarHBondContact OG-OD1 3.32Å; A411-D531 PolarHBondContact O-N 3.5Å; D531-K533 PolarHBondContact O-N 3.45Å; D531-K533 WeakPolarHBondContact OD1-CB 3.49Å; D531-K533 PolarHBondContact OD1-N 2.91Å; D531-K533 IonicContact OD1-NZ 3.34Å; D531-K533 IonicContact OD2-NZ 3.21Å; D531-K533 PolarHBondContact OD2-NZ 2.52Å
532	T	93	Very high	95.2	Very high	34 Å²	34	32.2 Å²	32.2	21%	0.209	15%	0.154	C	C	.	.			trans	-76.4	5.1	-176.8	58.3	0	0	0	0	113.9	Y409 L530 M534 R587	Y409-T532 VanDerWaalsContact CD1-CA 3.44Å; Y409-T532 HydrophobicContact CD1-CG2 4.32Å; Y409-T532 WeakPolarHBondContact CD1-O 3.25Å; Y409-T532 HydrophobicContact CE1-CG2 4.13Å; L530-T532 HydrophobicContact CD2-CG2 4.21Å; L530-T532 HydrophobicContact CG-CG2 4.25Å; L530-T532 PolarHBondContact O-N 3.03Å; L530-T532 VanDerWaalsContact O-N 3.15Å; T532-M534 PolarHBondContact O-N 3.19Å; T532-R587 HydrophobicContact CG2-CB 4.42Å
533	K	95.3	Very high	95.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.			trans	-61.7	131.3	172.8	-171.4	-174.7	-52.9	104	0	109.4	D169 E171 E172 Y409 S410 D531 L535 Y586	D169-K533 IonicContact OD1-NZ 3.94Å; D169-K533 WeakPolarHBondContact OD2-CE 3.39Å; D169-K533 IonicContact OD2-NZ 2.86Å; D169-K533 PolarHBondContact OD2-NZ 3.1Å; E171-K533 HydrophobicContact CB-CD 4.01Å; E171-K533 IonicContact OE2-NZ 2.92Å; E171-K533 PolarHBondContact OE2-NZ 3.09Å; E172-K533 HydrophobicContact CG-CD 4.39Å; Y409-K533 CarbonylContact C-O 3.53Å; S410-K533 VanDerWaalsContact CB-O 3.25Å; S410-K533 WeakPolarHBondContact CB-O 3.39Å; S410-K533 PolarHBondContact N-O 3.49Å; D531-K533 PolarHBondContact O-N 3.45Å; D531-K533 WeakPolarHBondContact OD1-CB 3.49Å; D531-K533 PolarHBondContact OD1-N 2.91Å; D531-K533 IonicContact OD1-NZ 3.34Å; D531-K533 IonicContact OD2-NZ 3.21Å; D531-K533 PolarHBondContact OD2-NZ 2.52Å; K533-L535 HydrophobicContact CD-CD1 4.25Å; K533-L535 HydrophobicContact CD-CD2 3.78Å; K533-L535 HydrophobicContact CD-CG 3.95Å; K533-L535 HydrophobicContact CG-CD2 4.24Å; K533-L535 HydrophobicContact CG-CG 4.11Å; K533-Y586 HydrophobicContact CB-CD1 4.21Å; K533-Y586 HydrophobicContact CB-CE1 3.69Å; K533-Y586 HydrophobicContact CD-CE1 4.34Å; K533-Y586 WeakPolarHBondContact CE-OH 3.48Å; K533-Y586 HydrophobicContact CG-CD1 4.45Å; K533-Y586 HydrophobicContact CG-CE1 3.65Å
534	M	97.9	Very high	95.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	105.6	175.5	-61	-178.9	-83.9	0	0	108.2	D403 F408 Y409 T532 F568 S584 C585 V593	D403-M534 HydrophobicContact CB-SD 4.1Å; F408-M534 VanDerWaalsContact O-CG 3.31Å; F408-M534 WeakPolarHBondContact O-CG 3.4Å; Y409-M534 HydrophobicContact CD1-CG 3.9Å; Y409-M534 HydrophobicContact CD1-SD 4.28Å; Y409-M534 HydrophobicContact CE1-CG 4.37Å; Y409-M534 HydrophobicContact CE1-SD 4.22Å; T532-M534 PolarHBondContact O-N 3.19Å; M534-F568 HydrophobicContact CB-CE1 4.27Å; M534-F568 HydrophobicContact CB-CZ 4.1Å; M534-F568 HydrophobicContact CE-CE2 4.17Å; M534-F568 HydrophobicContact CE-CZ 3.82Å; M534-F568 HydrophobicContact CG-CZ 4.41Å; M534-F568 HydrophobicContact SD-CE1 4.23Å; M534-F568 HydrophobicContact SD-CE2 3.95Å; M534-F568 HydrophobicContact SD-CZ 3.44Å; M534-F568 WeakPolarHBondContact SD-CZ 3.29Å; M534-S584 CarbonylContact O-C 3.28Å; M534-S584 VanDerWaalsContact O-CA 3.24Å; M534-S584 WeakPolarHBondContact O-CA 3.47Å; M534-C585 PolarHBondContact N-O 3.5Å; M534-C585 PolarHBondContact O-N 2.85Å; M534-V593 HydrophobicContact CE-CG1 4.31Å; M534-V593 HydrophobicContact CE-CG2 4.34Å
535	L	98.4	Very high	96.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.3	-175.9	-67	157.9	0	0	0	110.8	E171 K533 S537 W538 N539 R583	E171-L535 HydrophobicContact CB-CD1 4.04Å; E171-L535 HydrophobicContact CB-CD2 4.43Å; E171-L535 HydrophobicContact CG-CD1 4.41Å; E171-L535 WeakPolarHBondContact O-CD2 3.3Å; K533-L535 HydrophobicContact CD-CD1 4.25Å; K533-L535 HydrophobicContact CD-CD2 3.78Å; K533-L535 HydrophobicContact CD-CG 3.95Å; K533-L535 HydrophobicContact CG-CD2 4.24Å; K533-L535 HydrophobicContact CG-CG 4.11Å; L535-S537 PolarHBondContact O-N 2.91Å; L535-W538 HydrophobicContact CB-CB 4.3Å; L535-W538 HydrophobicContact CB-CD2 4.48Å; L535-W538 HydrophobicContact CB-CG 4.25Å; L535-W538 HydrophobicContact CD1-CD2 3.51Å; L535-W538 HydrophobicContact CD1-CE3 3.61Å; L535-W538 HydrophobicContact CD1-CG 4.12Å; L535-W538 HydrophobicContact CD1-CH2 3.99Å; L535-W538 HydrophobicContact CD1-CZ2 3.92Å; L535-W538 HydrophobicContact CD1-CZ3 3.87Å; L535-W538 PolarHBondContact O-N 2.89Å; L535-N539 VanDerWaalsContact O-CB 3.29Å; L535-N539 WeakPolarHBondContact O-CB 3.46Å; L535-N539 PolarHBondContact O-N 3.4Å; L535-N539 PolarHBondContact O-ND2 2.66Å; L535-R583 WeakPolarHBondContact CA-O 3.39Å; L535-R583 HydrophobicContact CD2-CG 4.22Å
536	A	98.7	Very high	96.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.8	-47.6	179.3	0	0	0	0	0	112.2	W538 N539 G540 L569 L573 M581 L582 R583 D606 V610	A536-W538 PolarHBondContact O-N 2.89Å; A536-N539 PolarHBondContact O-N 3.44Å; A536-G540 PolarHBondContact O-N 2.85Å; A536-L569 HydrophobicContact CB-CD2 4.27Å; A536-L573 HydrophobicContact CB-CB 4.3Å; A536-L573 HydrophobicContact CB-CD1 4.09Å; A536-M581 HydrophobicContact CB-CE 3.57Å; A536-L582 WeakPolarHBondContact CB-O 3.49Å; A536-R583 PolarHBondContact N-O 3.41Å; A536-D606 HydrophobicContact CB-CB 3.89Å; A536-D606 WeakPolarHBondContact CB-OD1 3.36Å; A536-V610 HydrophobicContact CB-CG2 4.47Å; A536-V610 WeakPolarHBondContact O-CG2 3.41Å
537	S	98.5	Very high	96.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-55.1	-51.8	177.8	64.6	0	0	0	0	112.6	L535 G540 L541 R583 D605 D606 F609	L535-S537 PolarHBondContact O-N 2.91Å; S537-G540 PolarHBondContact O-N 3.28Å; S537-L541 PolarHBondContact O-N 3.45Å; S537-L541 VanDerWaalsContact O-N 3.11Å; S537-R583 PolarHBondContact OG-NH1 3.43Å; S537-D605 PolarHBondContact OG-OD2 3.12Å; S537-D606 WeakPolarHBondContact CB-OD1 3.33Å; S537-D606 PolarHBondContact N-OD1 2.96Å; S537-F609 WeakPolarHBondContact O-CB 3.27Å
538	W	98.7	Very high	97.2	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-72.8	-33.4	-176.4	-59.5	-0.5	0	0	0	112.8	E171 M363 L364 Y365 S410 L535 A536 G540 L541 M542 E671	E171-W538 HydrophobicContact CG-CH2 3.94Å; E171-W538 HydrophobicContact CG-CZ2 4.24Å; E171-W538 VanDerWaalsContact OE1-CH2 3.25Å; E171-W538 WeakPolarHBondContact OE1-CH2 3.09Å; M363-W538 HydrophobicContact CE-CH2 3.66Å; M363-W538 HydrophobicContact CE-CZ3 3.92Å; L364-W538 HydrophobicContact CB-CB 4.48Å; L364-W538 HydrophobicContact CB-CE3 4.11Å; L364-W538 HydrophobicContact CD2-CB 3.83Å; L364-W538 HydrophobicContact CG-CB 4.41Å; Y365-W538 AromaticContact CD1-CD2 3.63Å; Y365-W538 HydrophobicContact CD1-CD2 3.63Å; Y365-W538 AromaticContact CD1-CE2 3.34Å; Y365-W538 AromaticContact CD1-CE3 3.82Å; Y365-W538 HydrophobicContact CD1-CE3 3.82Å; Y365-W538 HydrophobicContact CD1-CG 4.33Å; Y365-W538 AromaticContact CD1-CH2 3.6Å; Y365-W538 HydrophobicContact CD1-CH2 3.6Å; Y365-W538 AromaticContact CD1-CZ2 3.37Å; Y365-W538 HydrophobicContact CD1-CZ2 3.37Å; Y365-W538 AromaticContact CD1-CZ3 3.78Å; Y365-W538 HydrophobicContact CD1-CZ3 3.78Å; Y365-W538 AromaticContact CD1-NE1 3.82Å; Y365-W538 HydrophobicContact CE1-CD2 4.46Å; Y365-W538 AromaticContact CE1-CE2 3.92Å; Y365-W538 HydrophobicContact CE1-CE3 4.45Å; Y365-W538 AromaticContact CE1-CH2 3.44Å; Y365-W538 HydrophobicContact CE1-CH2 3.44Å; Y365-W538 VanDerWaalsContact CE1-CH2 3.44Å; Y365-W538 AromaticContact CE1-CZ2 3.41Å; Y365-W538 HydrophobicContact CE1-CZ2 3.41Å; Y365-W538 VanDerWaalsContact CE1-CZ2 3.41Å; Y365-W538 AromaticContact CE1-CZ3 3.95Å; Y365-W538 HydrophobicContact CE1-CZ3 3.95Å; Y365-W538 HydrophobicContact CG-CD2 4.49Å; S410-W538 VanDerWaalsContact CB-CZ3 3.49Å; S410-W538 VanDerWaalsContact O-CZ3 3.31Å; S410-W538 WeakPolarHBondContact O-CZ3 3.44Å; L535-W538 HydrophobicContact CB-CB 4.3Å; L535-W538 HydrophobicContact CB-CD2 4.48Å; L535-W538 HydrophobicContact CB-CG 4.25Å; L535-W538 HydrophobicContact CD1-CD2 3.51Å; L535-W538 HydrophobicContact CD1-CE3 3.61Å; L535-W538 HydrophobicContact CD1-CG 4.12Å; L535-W538 HydrophobicContact CD1-CH2 3.99Å; L535-W538 HydrophobicContact CD1-CZ2 3.92Å; L535-W538 HydrophobicContact CD1-CZ3 3.87Å; L535-W538 PolarHBondContact O-N 2.89Å; A536-W538 PolarHBondContact O-N 2.89Å; W538-G540 VanDerWaalsContact C-N 3.29Å; W538-L541 PolarHBondContact O-N 3.28Å; W538-M542 PolarHBondContact O-N 2.89Å; W538-E671 VanDerWaalsContact NE1-CD 3.35Å; W538-E671 PolarHBondContact NE1-OE2 3.28Å
539	N	98.9	Very high	97.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.7	-35.7	170.7	-84	-99.4	0	0	0	111.2	F408 L535 A536 M542 L543 L569	F408-N539 WeakPolarHBondContact CB-OD1 3.4Å; F408-N539 WeakPolarHBondContact CD2-OD1 3.11Å; F408-N539 PolarHBondContact N-OD1 2.95Å; F408-N539 PolarHBondContact O-ND2 3.28Å; L535-N539 VanDerWaalsContact O-CB 3.29Å; L535-N539 WeakPolarHBondContact O-CB 3.46Å; L535-N539 PolarHBondContact O-N 3.4Å; L535-N539 PolarHBondContact O-ND2 2.66Å; A536-N539 PolarHBondContact O-N 3.44Å; N539-M542 PolarHBondContact O-N 2.8Å; N539-L543 WeakPolarHBondContact O-CB 3.5Å; N539-L543 PolarHBondContact O-N 3.38Å; N539-L569 HydrophobicContact CB-CD1 4.43Å; N539-L569 HydrophobicContact CB-CD2 3.84Å; N539-L569 HydrophobicContact CB-CG 4.26Å
540	G	98.9	Very high	97.8	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-62.2	-43.6	172.7	0	0	0	0	0	113.3	A536 S537 W538 L543 S544 F609	A536-G540 PolarHBondContact O-N 2.85Å; S537-G540 PolarHBondContact O-N 3.28Å; W538-G540 VanDerWaalsContact C-N 3.29Å; G540-L543 WeakPolarHBondContact O-CB 3.38Å; G540-L543 PolarHBondContact O-N 2.85Å; G540-S544 PolarHBondContact O-N 3.4Å; G540-S544 VanDerWaalsContact O-N 3.13Å; G540-F609 CarbonylContact C-O 3.38Å
541	L	98.9	Very high	98.1	Very high	17 Å²	17	6.6 Å²	6.6	9%	0.089	4%	0.035	C	C	.	.	H	α-helix	trans	-64.2	-44.4	173.7	-66.1	178.1	0	0	0	111.9	A368 S537 W538 L543 S544 A545 F609	A368-L541 HydrophobicContact CB-CB 3.76Å; S537-L541 PolarHBondContact O-N 3.45Å; S537-L541 VanDerWaalsContact O-N 3.11Å; W538-L541 PolarHBondContact O-N 3.28Å; L541-L543 VanDerWaalsContact C-N 3.34Å; L541-L543 PolarHBondContact O-N 3.26Å; L541-S544 WeakPolarHBondContact O-CB 3.43Å; L541-S544 PolarHBondContact O-N 3.3Å; L541-A545 PolarHBondContact O-N 2.83Å; L541-F609 HydrophobicContact CD1-CD2 3.75Å; L541-F609 HydrophobicContact CD1-CE2 3.97Å; L541-F609 HydrophobicContact CD1-CG 4.44Å; L541-F609 HydrophobicContact CD2-CB 4.01Å; L541-F609 HydrophobicContact CD2-CD1 4.2Å; L541-F609 HydrophobicContact CD2-CD2 3.96Å; L541-F609 HydrophobicContact CD2-CG 3.79Å; L541-F609 HydrophobicContact CG-CB 4.03Å; L541-F609 HydrophobicContact CG-CD2 3.64Å; L541-F609 HydrophobicContact CG-CE2 4.33Å; L541-F609 HydrophobicContact CG-CG 3.91Å
542	M	98.9	Very high	98.2	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-68.5	-34.7	179.6	-173.8	53	71.1	0	0	112.1	L364 Q367 A368 L394 V397 F408 W538 N539 S544 A545 F546	L364-M542 HydrophobicContact CD1-CB 4.21Å; L364-M542 HydrophobicContact CD1-CE 3.52Å; L364-M542 HydrophobicContact CD1-CG 4.08Å; L364-M542 HydrophobicContact CD2-CB 4.42Å; L364-M542 HydrophobicContact CG-CB 4.3Å; L364-M542 HydrophobicContact CG-CE 4.22Å; Q367-M542 HydrophobicContact CB-CE 3.64Å; A368-M542 HydrophobicContact CB-CB 4.22Å; A368-M542 HydrophobicContact CB-CE 3.77Å; A368-M542 HydrophobicContact CB-SD 4.31Å; L394-M542 HydrophobicContact CD2-SD 3.89Å; V397-M542 HydrophobicContact CB-CE 4.24Å; V397-M542 HydrophobicContact CG1-CE 3.84Å; V397-M542 HydrophobicContact CG1-CG 4.09Å; V397-M542 HydrophobicContact CG1-SD 3.95Å; V397-M542 HydrophobicContact CG2-CE 3.51Å; V397-M542 HydrophobicContact CG2-SD 4.32Å; F408-M542 HydrophobicContact CD1-CG 4.02Å; F408-M542 HydrophobicContact CD2-CB 3.87Å; F408-M542 HydrophobicContact CD2-CG 3.67Å; F408-M542 HydrophobicContact CE1-CG 3.87Å; F408-M542 HydrophobicContact CE2-CB 3.97Å; F408-M542 HydrophobicContact CE2-CG 3.51Å; F408-M542 HydrophobicContact CG-CB 4.39Å; F408-M542 HydrophobicContact CG-CG 3.92Å; F408-M542 HydrophobicContact CZ-CG 3.63Å; W538-M542 PolarHBondContact O-N 2.89Å; N539-M542 PolarHBondContact O-N 2.8Å; M542-S544 VanDerWaalsContact C-N 3.34Å; M542-S544 PolarHBondContact O-N 3.43Å; M542-A545 WeakPolarHBondContact O-CB 3.2Å; M542-A545 PolarHBondContact O-N 3.34Å; M542-A545 VanDerWaalsContact O-N 3.14Å; M542-A545 HydrophobicContact SD-CB 3.95Å; M542-F546 HydrophobicContact CG-CD2 3.82Å; M542-F546 HydrophobicContact CG-CE2 3.77Å; M542-F546 WeakPolarHBondContact O-CD2 3.26Å; M542-F546 PolarHBondContact O-N 3.14Å; M542-F546 HydrophobicContact SD-CD2 3.73Å; M542-F546 HydrophobicContact SD-CE2 3.58Å; M542-F546 VanDerWaalsContact SD-CE2 3.58Å
543	L	98.9	Very high	98.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-56	-48.9	170.5	169.1	64.7	0	0	0	111	N539 G540 L541 A545 F546 A547 A562 A565 L569 L614 L617	N539-L543 WeakPolarHBondContact O-CB 3.5Å; N539-L543 PolarHBondContact O-N 3.38Å; G540-L543 WeakPolarHBondContact O-CB 3.38Å; G540-L543 PolarHBondContact O-N 2.85Å; L541-L543 VanDerWaalsContact C-N 3.34Å; L541-L543 PolarHBondContact O-N 3.26Å; L543-A545 VanDerWaalsContact C-N 3.3Å; L543-A545 PolarHBondContact O-N 2.9Å; L543-F546 PolarHBondContact O-N 2.76Å; L543-A547 WeakPolarHBondContact O-CB 3.22Å; L543-A547 PolarHBondContact O-N 2.99Å; L543-A562 HydrophobicContact CD1-CB 4.01Å; L543-A562 WeakPolarHBondContact CD1-O 3.46Å; L543-A565 HydrophobicContact CB-CB 4.46Å; L543-A565 HydrophobicContact CD1-CB 4.12Å; L543-L569 HydrophobicContact CD2-CD1 4.05Å; L543-L614 HydrophobicContact CD2-CD2 4.22Å; L543-L614 HydrophobicContact CD2-CG 4.49Å; L543-L617 HydrophobicContact CD1-CB 4.3Å; L543-L617 HydrophobicContact CD1-CD1 4.33Å; L543-L617 HydrophobicContact CD1-CD2 4.01Å; L543-L617 HydrophobicContact CD1-CG 4.44Å
544	S	98.9	Very high	98.5	Very high	9 Å²	9	11.1 Å²	11.1	6%	0.063	7%	0.073	C	C	.	.	H	α-helix	trans	-55.7	-44.8	173.8	167.8	0	0	0	0	111.4	G540 L541 M542 A547 R548 D616	G540-S544 PolarHBondContact O-N 3.4Å; G540-S544 VanDerWaalsContact O-N 3.13Å; L541-S544 WeakPolarHBondContact O-CB 3.43Å; L541-S544 PolarHBondContact O-N 3.3Å; M542-S544 VanDerWaalsContact C-N 3.34Å; M542-S544 PolarHBondContact O-N 3.43Å; S544-A547 PolarHBondContact O-N 3.02Å; S544-R548 WeakPolarHBondContact O-CB 3.12Å; S544-R548 VanDerWaalsContact O-CG 3.32Å; S544-R548 WeakPolarHBondContact O-CG 3.33Å; S544-R548 PolarHBondContact O-N 3.37Å; S544-D616 WeakPolarHBondContact CB-OD2 3.35Å; S544-D616 PolarHBondContact OG-OD2 2.94Å
545	A	98.9	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.6	-51	179.5	0	0	0	0	0	112.9	A368 A371 V372 L394 L541 M542 L543 A547 R548 V549	A368-A545 HydrophobicContact CB-CB 4.35Å; A368-A545 WeakPolarHBondContact O-CB 2.99Å; A371-A545 HydrophobicContact CB-CB 4.06Å; V372-A545 HydrophobicContact CG2-CB 4.02Å; L394-A545 HydrophobicContact CD2-CB 4.29Å; L541-A545 PolarHBondContact O-N 2.83Å; M542-A545 WeakPolarHBondContact O-CB 3.2Å; M542-A545 PolarHBondContact O-N 3.34Å; M542-A545 VanDerWaalsContact O-N 3.14Å; M542-A545 HydrophobicContact SD-CB 3.95Å; L543-A545 VanDerWaalsContact C-N 3.3Å; L543-A545 PolarHBondContact O-N 2.9Å; A545-A547 PolarHBondContact O-N 2.74Å; A545-R548 PolarHBondContact O-N 2.89Å; A545-V549 VanDerWaalsContact O-CB 3.32Å; A545-V549 WeakPolarHBondContact O-CB 3.47Å; A545-V549 WeakPolarHBondContact O-CG2 3.37Å; A545-V549 PolarHBondContact O-N 2.72Å
546	F	98.9	Very high	98.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.6	-42.5	177.4	-84.9	-85.2	0	0	0	112.3	L394 V397 S398 F408 M542 L543 G550 L558 R561 A562	L394-F546 HydrophobicContact CB-CE1 3.97Å; L394-F546 HydrophobicContact CB-CZ 4.07Å; L394-F546 HydrophobicContact CD1-CD1 3.92Å; L394-F546 HydrophobicContact CD1-CE1 4.11Å; L394-F546 HydrophobicContact CD1-CG 4.26Å; L394-F546 HydrophobicContact CD2-CD1 4.42Å; L394-F546 HydrophobicContact CD2-CD2 4Å; L394-F546 HydrophobicContact CD2-CE1 4.25Å; L394-F546 HydrophobicContact CD2-CE2 3.82Å; L394-F546 HydrophobicContact CD2-CG 4.29Å; L394-F546 HydrophobicContact CD2-CZ 3.95Å; L394-F546 HydrophobicContact CG-CE1 4.34Å; L394-F546 HydrophobicContact CG-CZ 4.43Å; V397-F546 HydrophobicContact CG1-CE2 3.97Å; V397-F546 HydrophobicContact CG1-CZ 4.31Å; S398-F546 WeakPolarHBondContact OG-CZ 3.41Å; F408-F546 HydrophobicContact CE1-CD2 4.12Å; F408-F546 AromaticContact CE1-CE2 3.4Å; F408-F546 HydrophobicContact CE1-CE2 3.4Å; F408-F546 HydrophobicContact CE1-CZ 4.05Å; F408-F546 HydrophobicContact CE2-CD2 4.38Å; F408-F546 HydrophobicContact CE2-CE2 4.42Å; F408-F546 AromaticContact CZ-CD2 3.55Å; F408-F546 HydrophobicContact CZ-CD2 3.55Å; F408-F546 AromaticContact CZ-CE2 3.33Å; F408-F546 HydrophobicContact CZ-CE2 3.33Å; F408-F546 HydrophobicContact CZ-CZ 4.22Å; M542-F546 HydrophobicContact CG-CD2 3.82Å; M542-F546 HydrophobicContact CG-CE2 3.77Å; M542-F546 WeakPolarHBondContact O-CD2 3.26Å; M542-F546 PolarHBondContact O-N 3.14Å; M542-F546 HydrophobicContact SD-CD2 3.73Å; M542-F546 HydrophobicContact SD-CE2 3.58Å; M542-F546 VanDerWaalsContact SD-CE2 3.58Å; L543-F546 PolarHBondContact O-N 2.76Å; F546-G550 WeakPolarHBondContact O-CA 3.44Å; F546-G550 PolarHBondContact O-N 3.14Å; F546-L558 HydrophobicContact CD1-CB 4.27Å; F546-L558 HydrophobicContact CD1-CD2 3.8Å; F546-L558 HydrophobicContact CE1-CD2 3.73Å; F546-R561 HydrophobicContact CD1-CB 3.9Å; F546-R561 HydrophobicContact CD1-CG 3.71Å; F546-R561 HydrophobicContact CD2-CG 4.49Å; F546-R561 HydrophobicContact CE1-CB 4.07Å; F546-R561 HydrophobicContact CE1-CG 3.53Å; F546-R561 HydrophobicContact CE2-CG 4.34Å; F546-R561 HydrophobicContact CG-CG 4.2Å; F546-R561 HydrophobicContact CZ-CG 3.88Å; F546-A562 HydrophobicContact CB-CB 3.76Å
547	A	98.9	Very high	98.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61	-50	178.4	0	0	0	0	0	111.5	L543 S544 A545 A551 A562 D616 L617 A620	L543-A547 WeakPolarHBondContact O-CB 3.22Å; L543-A547 PolarHBondContact O-N 2.99Å; S544-A547 PolarHBondContact O-N 3.02Å; A545-A547 PolarHBondContact O-N 2.74Å; A547-A551 VanDerWaalsContact O-CB 3.25Å; A547-A551 WeakPolarHBondContact O-CB 3.39Å; A547-A551 PolarHBondContact O-N 2.97Å; A547-A562 HydrophobicContact CB-CB 4.2Å; A547-D616 HydrophobicContact CB-CB 4.27Å; A547-L617 HydrophobicContact CB-CB 4.41Å; A547-L617 HydrophobicContact CB-CD1 4.43Å; A547-A620 HydrophobicContact CB-CB 3.99Å; A547-A620 WeakPolarHBondContact O-CB 3.43Å
548	R	98.8	Very high	98.4	Very high	59 Å²	59	26.7 Å²	26.7	22%	0.223	16%	0.155	C	C	.	.	H	α-helix	trans	-68.7	-46	-178.1	-70.1	-173.4	62.1	-173.3	-8	112.4	S376 S544 A545 A551 V552 D616	S376-R548 PolarHBondContact OG-NH2 2.9Å; S544-R548 WeakPolarHBondContact O-CB 3.12Å; S544-R548 VanDerWaalsContact O-CG 3.32Å; S544-R548 WeakPolarHBondContact O-CG 3.33Å; S544-R548 PolarHBondContact O-N 3.37Å; A545-R548 PolarHBondContact O-N 2.89Å; R548-A551 PolarHBondContact O-N 3.19Å; R548-V552 WeakPolarHBondContact O-CB 3.13Å; R548-V552 VanDerWaalsContact O-CG2 3.25Å; R548-V552 WeakPolarHBondContact O-CG2 3.38Å; R548-V552 PolarHBondContact O-N 3Å; R548-D616 VanDerWaalsContact CD-OD2 3.31Å; R548-D616 WeakPolarHBondContact CD-OD2 3.48Å; R548-D616 HydrophobicContact CG-CB 4.13Å
549	V	98.9	Very high	98.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.1	-43.3	178.6	179.1	0	0	0	0	110.8	A371 I375 A390 L394 A545 A551 V552 L553 L558	A371-V549 HydrophobicContact CB-CG2 4.37Å; I375-V549 HydrophobicContact CB-CG2 3.96Å; I375-V549 HydrophobicContact CD1-CG1 4.46Å; I375-V549 HydrophobicContact CG1-CG2 4.34Å; I375-V549 HydrophobicContact CG2-CG2 3.92Å; A390-V549 HydrophobicContact CB-CG1 4.41Å; A390-V549 HydrophobicContact CB-CG2 4.29Å; L394-V549 HydrophobicContact CD1-CB 3.59Å; L394-V549 HydrophobicContact CD1-CG1 3.68Å; L394-V549 HydrophobicContact CD1-CG2 3.87Å; A545-V549 VanDerWaalsContact O-CB 3.32Å; A545-V549 WeakPolarHBondContact O-CB 3.47Å; A545-V549 WeakPolarHBondContact O-CG2 3.37Å; A545-V549 PolarHBondContact O-N 2.72Å; V549-A551 PolarHBondContact O-N 3.41Å; V549-V552 PolarHBondContact O-N 3.46Å; V549-L553 HydrophobicContact CG1-CD1 3.61Å; V549-L553 HydrophobicContact CG1-CG 4.3Å; V549-L553 WeakPolarHBondContact O-CB 3.39Å; V549-L553 VanDerWaalsContact O-CG 3.32Å; V549-L553 WeakPolarHBondContact O-CG 3.28Å; V549-L553 PolarHBondContact O-N 3Å; V549-L558 HydrophobicContact CB-CD1 4.46Å; V549-L558 HydrophobicContact CG1-CD1 3.79Å
550	G	98.6	Very high	98.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.4	-45.3	175.5	0	0	0	0	0	112.6	F546 G554 N555	F546-G550 WeakPolarHBondContact O-CA 3.44Å; F546-G550 PolarHBondContact O-N 3.14Å; G550-G554 CarbonylContact O-C 3.5Å; G550-G554 WeakPolarHBondContact O-CA 3.5Å; G550-G554 PolarHBondContact O-N 3.5Å; G550-N555 PolarHBondContact O-N 3.3Å
551	A	97.9	Very high	98.4	Very high	17 Å²	17	34.9 Å²	34.9	14%	0.14	19%	0.193	C	C	.	.	H	α-helix	trans	-67.7	-41.1	-179.8	0	0	0	0	0	113.3	A547 R548 V549 L559 A620 N752	A547-A551 VanDerWaalsContact O-CB 3.25Å; A547-A551 WeakPolarHBondContact O-CB 3.39Å; A547-A551 PolarHBondContact O-N 2.97Å; R548-A551 PolarHBondContact O-N 3.19Å; V549-A551 PolarHBondContact O-N 3.41Å; A551-L559 HydrophobicContact CB-CD2 4.48Å; A551-A620 HydrophobicContact CB-CB 3.89Å; A551-N752 PolarHBondContact O-ND2 2.9Å; A551-N752 VanDerWaalsContact O-ND2 3.14Å
552	V	98.4	Very high	98.4	Very high	23 Å²	23	34.1 Å²	34.1	14%	0.139	19%	0.189	C	C	.	.	H	α-helix	trans	-69.5	-38.4	179.2	175	0	0	0	0	111.7	I375 F378 Q379 R548 V549	I375-V552 HydrophobicContact CD1-CB 3.95Å; I375-V552 HydrophobicContact CD1-CG1 3.65Å; I375-V552 HydrophobicContact CG1-CB 3.65Å; I375-V552 HydrophobicContact CG1-CG1 3.66Å; I375-V552 HydrophobicContact CG1-CG2 3.95Å; F378-V552 HydrophobicContact CD1-CG1 3.95Å; F378-V552 HydrophobicContact CE1-CG1 4.14Å; Q379-V552 HydrophobicContact CG-CG1 3.81Å; Q379-V552 HydrophobicContact CG-CG2 4.23Å; R548-V552 WeakPolarHBondContact O-CB 3.13Å; R548-V552 VanDerWaalsContact O-CG2 3.25Å; R548-V552 WeakPolarHBondContact O-CG2 3.38Å; R548-V552 PolarHBondContact O-N 3Å; V549-V552 PolarHBondContact O-N 3.46Å
553	L	97.9	Very high	98.4	Very high	45 Å²	45	35.6 Å²	35.6	24%	0.236	20%	0.198	C	C	.	.	H	α-helix	trans	-89.3	-7.8	-178.5	-60.5	179.5	0	0	0	113.9	I375 F378 A387 K391 V549 N555	I375-L553 HydrophobicContact CD1-CD1 4.34Å; I375-L553 HydrophobicContact CD1-CD2 3.81Å; I375-L553 HydrophobicContact CD1-CG 3.87Å; F378-L553 HydrophobicContact CE1-CD2 4.22Å; A387-L553 HydrophobicContact CB-CD2 3.96Å; K391-L553 HydrophobicContact CD-CD1 4.14Å; K391-L553 HydrophobicContact CG-CD1 3.68Å; V549-L553 HydrophobicContact CG1-CD1 3.61Å; V549-L553 HydrophobicContact CG1-CG 4.3Å; V549-L553 WeakPolarHBondContact O-CB 3.39Å; V549-L553 VanDerWaalsContact O-CG 3.32Å; V549-L553 WeakPolarHBondContact O-CG 3.28Å; V549-L553 PolarHBondContact O-N 3Å; L553-N555 VanDerWaalsContact C-N 3.28Å; L553-N555 HydrophobicContact CB-CB 4.34Å; L553-N555 PolarHBondContact O-N 2.93Å
554	G	96.3	Very high	98.4	Very high	62 Å²	62	40.2 Å²	40.2	64%	0.639	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	36.8	-171.9	0	0	0	0	0	112.6	G550	G550-G554 CarbonylContact O-C 3.5Å; G550-G554 WeakPolarHBondContact O-CA 3.5Å; G550-G554 PolarHBondContact O-N 3.5Å
555	N	97.6	Very high	98.4	Very high	57 Å²	57	39.8 Å²	39.8	31%	0.305	22%	0.217	S	C	.	.			trans	-101	104.2	-176.5	-174.2	-39	0	0	0	110.9	G550 L553 V557 L558 L559	G550-N555 PolarHBondContact O-N 3.3Å; L553-N555 VanDerWaalsContact C-N 3.28Å; L553-N555 HydrophobicContact CB-CB 4.34Å; L553-N555 PolarHBondContact O-N 2.93Å; N555-V557 VanDerWaalsContact C-N 3.34Å; N555-V557 PolarHBondContact O-N 3.47Å; N555-V557 WeakPolarHBondContact OD1-CB 3.37Å; N555-V557 PolarHBondContact OD1-N 3.32Å; N555-L558 HydrophobicContact CB-CB 4.34Å; N555-L558 HydrophobicContact CB-CD1 3.99Å; N555-L558 HydrophobicContact CB-CG 4.11Å; N555-L558 PolarHBondContact O-N 3.19Å; N555-L558 PolarHBondContact OD1-N 3.27Å; N555-L559 PolarHBondContact O-N 2.77Å
556	E	96.7	Very high	98.3	Very high	146 Å²	146	39.8 Å²	39.8	68%	0.682	22%	0.217	S	C	*	.	H	α-helix	trans	-61.3	-37.2	-178	-66.4	177.8	173.8	0	0	113.3	L558 L559 E560	E556-L558 VanDerWaalsContact C-N 3.29Å; E556-L558 PolarHBondContact O-N 3.47Å; E556-L559 WeakPolarHBondContact O-CB 3.21Å; E556-L559 PolarHBondContact O-N 3.06Å; E556-L559 VanDerWaalsContact O-N 3.1Å; E556-E560 WeakPolarHBondContact O-CG 3.32Å; E556-E560 PolarHBondContact O-N 3.26Å
557	V	98.3	Very high	98.3	Very high	104 Å²	104	43.2 Å²	43.2	63%	0.63	24%	0.235	S	C	*	.	H	α-helix	trans	-62.4	-39	179.2	179.1	0	0	0	0	111.1	N555 R561	N555-V557 VanDerWaalsContact C-N 3.34Å; N555-V557 PolarHBondContact O-N 3.47Å; N555-V557 WeakPolarHBondContact OD1-CB 3.37Å; N555-V557 PolarHBondContact OD1-N 3.32Å; V557-R561 WeakPolarHBondContact O-CB 3.46Å; V557-R561 PolarHBondContact O-N 3.49Å
558	L	98.6	Very high	98.3	Very high	20 Å²	20	43.3 Å²	43.3	11%	0.105	24%	0.236	C	C	.	.	H	α-helix	trans	-69.4	-37.1	175.8	-63	-178.8	0	0	0	111.7	L394 F546 V549 N555 E556 R561 A562	L394-L558 HydrophobicContact CB-CD2 4.34Å; L394-L558 HydrophobicContact CD1-CD1 4.04Å; L394-L558 HydrophobicContact CD1-CD2 4.07Å; F546-L558 HydrophobicContact CD1-CB 4.27Å; F546-L558 HydrophobicContact CD1-CD2 3.8Å; F546-L558 HydrophobicContact CE1-CD2 3.73Å; V549-L558 HydrophobicContact CB-CD1 4.46Å; V549-L558 HydrophobicContact CG1-CD1 3.79Å; N555-L558 HydrophobicContact CB-CB 4.34Å; N555-L558 HydrophobicContact CB-CD1 3.99Å; N555-L558 HydrophobicContact CB-CG 4.11Å; N555-L558 PolarHBondContact O-N 3.19Å; N555-L558 PolarHBondContact OD1-N 3.27Å; E556-L558 VanDerWaalsContact C-N 3.29Å; E556-L558 PolarHBondContact O-N 3.47Å; L558-R561 PolarHBondContact O-N 3.03Å; L558-A562 PolarHBondContact O-N 3.24Å
559	L	98.4	Very high	98.3	Very high	34 Å²	34	40.5 Å²	40.5	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-67	-43.2	176.1	-65.9	179.5	0	0	0	112	A551 N555 E556 R561 A562 V563 A620	A551-L559 HydrophobicContact CB-CD2 4.48Å; N555-L559 PolarHBondContact O-N 2.77Å; E556-L559 WeakPolarHBondContact O-CB 3.21Å; E556-L559 PolarHBondContact O-N 3.06Å; E556-L559 VanDerWaalsContact O-N 3.1Å; L559-R561 VanDerWaalsContact C-N 3.3Å; L559-R561 PolarHBondContact O-N 3.23Å; L559-A562 WeakPolarHBondContact O-CB 3.4Å; L559-A562 PolarHBondContact O-N 3.44Å; L559-A562 VanDerWaalsContact O-N 3.16Å; L559-V563 WeakPolarHBondContact O-CG2 3.33Å; L559-V563 PolarHBondContact O-N 3.07Å; L559-A620 HydrophobicContact CD2-CB 3.76Å
560	E	98.5	Very high	98.3	Very high	117 Å²	117	44.7 Å²	44.7	55%	0.547	24%	0.243	S	C	.	.	H	α-helix	trans	-60.5	-41.7	173.5	-73.2	178.3	177.3	0	0	111.3	E556 A562 V563 Q564	E556-E560 WeakPolarHBondContact O-CG 3.32Å; E556-E560 PolarHBondContact O-N 3.26Å; E560-A562 VanDerWaalsContact C-N 3.29Å; E560-A562 PolarHBondContact O-N 2.9Å; E560-V563 PolarHBondContact O-N 2.88Å; E560-Q564 WeakPolarHBondContact O-CG 3.2Å; E560-Q564 PolarHBondContact O-N 3.31Å
561	R	98.7	Very high	98.2	Very high	23 Å²	23	51.3 Å²	51.3	9%	0.087	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-36.1	175.2	-177.1	61.9	-171.9	96	-12.4	112.3	S402 G406 G407 F408 F546 V557 L558 L559 Q564 A565	S402-R561 PolarHBondContact OG-NH2 3.18Å; G406-R561 VanDerWaalsContact O-CZ 3.32Å; G406-R561 PolarHBondContact O-NH1 2.83Å; G406-R561 PolarHBondContact O-NH2 2.84Å; G407-R561 PolarHBondContact O-NH2 2.86Å; F408-R561 VanDerWaalsContact CD1-NH2 3.26Å; F408-R561 HydrophobicContact CZ-CG 4.47Å; F408-R561 VanDerWaalsContact CZ-NH1 3.3Å; F408-R561 VanDerWaalsContact CZ-NH2 3.3Å; F546-R561 HydrophobicContact CD1-CB 3.9Å; F546-R561 HydrophobicContact CD1-CG 3.71Å; F546-R561 HydrophobicContact CD2-CG 4.49Å; F546-R561 HydrophobicContact CE1-CB 4.07Å; F546-R561 HydrophobicContact CE1-CG 3.53Å; F546-R561 HydrophobicContact CE2-CG 4.34Å; F546-R561 HydrophobicContact CG-CG 4.2Å; F546-R561 HydrophobicContact CZ-CG 3.88Å; V557-R561 WeakPolarHBondContact O-CB 3.46Å; V557-R561 PolarHBondContact O-N 3.49Å; L558-R561 PolarHBondContact O-N 3.03Å; L559-R561 VanDerWaalsContact C-N 3.3Å; L559-R561 PolarHBondContact O-N 3.23Å; R561-Q564 PolarHBondContact O-N 3.36Å; R561-A565 PolarHBondContact O-N 2.99Å; R561-A565 VanDerWaalsContact O-N 3.14Å
562	A	98.8	Very high	98.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.7	-46.1	172.9	0	0	0	0	0	111.2	L543 F546 A547 L558 L559 E560 Q564 A565 G566 L617	L543-A562 HydrophobicContact CD1-CB 4.01Å; L543-A562 WeakPolarHBondContact CD1-O 3.46Å; F546-A562 HydrophobicContact CB-CB 3.76Å; A547-A562 HydrophobicContact CB-CB 4.2Å; L558-A562 PolarHBondContact O-N 3.24Å; L559-A562 WeakPolarHBondContact O-CB 3.4Å; L559-A562 PolarHBondContact O-N 3.44Å; L559-A562 VanDerWaalsContact O-N 3.16Å; E560-A562 VanDerWaalsContact C-N 3.29Å; E560-A562 PolarHBondContact O-N 2.9Å; A562-Q564 VanDerWaalsContact C-N 3.31Å; A562-Q564 PolarHBondContact O-N 3.21Å; A562-A565 WeakPolarHBondContact O-CB 3.49Å; A562-A565 PolarHBondContact O-N 3.14Å; A562-A565 VanDerWaalsContact O-N 3.1Å; A562-G566 PolarHBondContact O-N 3.38Å; A562-L617 HydrophobicContact CB-CD1 3.71Å
563	V	98.8	Very high	98.2	Very high	31 Å²	31	51.6 Å²	51.6	19%	0.188	27%	0.271	C	S	.	.	H	α-helix	trans	-58.5	-42.3	175.6	169	0	0	0	0	111.5	L559 E560 A565 G566 N567 L617 T621 W626	L559-V563 WeakPolarHBondContact O-CG2 3.33Å; L559-V563 PolarHBondContact O-N 3.07Å; E560-V563 PolarHBondContact O-N 2.88Å; V563-A565 VanDerWaalsContact C-N 3.33Å; V563-A565 PolarHBondContact O-N 2.77Å; V563-G566 PolarHBondContact O-N 3.13Å; V563-N567 PolarHBondContact O-N 3.22Å; V563-N567 PolarHBondContact O-ND2 2.78Å; V563-N567 VanDerWaalsContact O-ND2 3.14Å; V563-L617 HydrophobicContact CG2-CD1 4.03Å; V563-T621 HydrophobicContact CG2-CG2 4.09Å; V563-W626 HydrophobicContact CG1-CZ2 4.15Å
564	Q	98.8	Very high	98.2	Very high	98 Å²	98	51.2 Å²	51.2	46%	0.458	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-41	174.9	-71.1	170.1	6.2	0	0	112.3	E560 R561 A562 N567 F568	E560-Q564 WeakPolarHBondContact O-CG 3.2Å; E560-Q564 PolarHBondContact O-N 3.31Å; R561-Q564 PolarHBondContact O-N 3.36Å; A562-Q564 VanDerWaalsContact C-N 3.31Å; A562-Q564 PolarHBondContact O-N 3.21Å; Q564-N567 PolarHBondContact O-N 3.41Å; Q564-F568 WeakPolarHBondContact O-CB 3.39Å; Q564-F568 PolarHBondContact O-N 2.83Å
565	A	98.8	Very high	98.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-40.2	176.3	0	0	0	0	0	112.6	F408 L543 R561 A562 V563 F568 L569	F408-A565 HydrophobicContact CD2-CB 4.37Å; F408-A565 HydrophobicContact CE2-CB 3.51Å; F408-A565 HydrophobicContact CZ-CB 4.18Å; L543-A565 HydrophobicContact CB-CB 4.46Å; L543-A565 HydrophobicContact CD1-CB 4.12Å; R561-A565 PolarHBondContact O-N 2.99Å; R561-A565 VanDerWaalsContact O-N 3.14Å; A562-A565 WeakPolarHBondContact O-CB 3.49Å; A562-A565 PolarHBondContact O-N 3.14Å; A562-A565 VanDerWaalsContact O-N 3.1Å; V563-A565 VanDerWaalsContact C-N 3.33Å; V563-A565 PolarHBondContact O-N 2.77Å; A565-F568 PolarHBondContact O-N 3.04Å; A565-L569 WeakPolarHBondContact O-CG 3.12Å; A565-L569 PolarHBondContact O-N 2.93Å
566	G	98.8	Very high	97.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-43.3	174.4	0	0	0	0	0	112.4	A562 V563 K570	A562-G566 PolarHBondContact O-N 3.38Å; V563-G566 PolarHBondContact O-N 3.13Å; G566-K570 PolarHBondContact O-N 2.72Å
567	N	98.8	Very high	97.7	Very high	72 Å²	72	51.2 Å²	51.2	39%	0.385	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-45.4	174.1	-76.6	-45.4	0	0	0	112	V563 Q564 L569 K570 E571 W626	V563-N567 PolarHBondContact O-N 3.22Å; V563-N567 PolarHBondContact O-ND2 2.78Å; V563-N567 VanDerWaalsContact O-ND2 3.14Å; Q564-N567 PolarHBondContact O-N 3.41Å; N567-L569 PolarHBondContact O-N 3.34Å; N567-K570 PolarHBondContact O-N 2.67Å; N567-K570 VanDerWaalsContact O-N 3.14Å; N567-E571 WeakPolarHBondContact O-CB 3.49Å; N567-E571 PolarHBondContact O-N 2.98Å; N567-W626 WeakPolarHBondContact OD1-CH2 3.41Å
568	F	98.8	Very high	97.4	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.009	26%	0.257	C	S	.	.	H	α-helix	trans	-56.4	-47.3	177.5	172.2	-91.9	0	0	0	112.3	S405 G407 M534 Q564 A565 K570 E571 H572 L573 C585 V593	S405-F568 WeakPolarHBondContact OG-CD2 3.28Å; S405-F568 WeakPolarHBondContact OG-CE2 3.43Å; G407-F568 VanDerWaalsContact CA-CE1 3.47Å; G407-F568 VanDerWaalsContact CA-CG 3.42Å; G407-F568 VanDerWaalsContact N-CG 3.26Å; M534-F568 HydrophobicContact CB-CE1 4.27Å; M534-F568 HydrophobicContact CB-CZ 4.1Å; M534-F568 HydrophobicContact CE-CE2 4.17Å; M534-F568 HydrophobicContact CE-CZ 3.82Å; M534-F568 HydrophobicContact CG-CZ 4.41Å; M534-F568 HydrophobicContact SD-CE1 4.23Å; M534-F568 HydrophobicContact SD-CE2 3.95Å; M534-F568 HydrophobicContact SD-CZ 3.44Å; M534-F568 WeakPolarHBondContact SD-CZ 3.29Å; Q564-F568 WeakPolarHBondContact O-CB 3.39Å; Q564-F568 PolarHBondContact O-N 2.83Å; A565-F568 PolarHBondContact O-N 3.04Å; F568-K570 VanDerWaalsContact C-N 3.28Å; F568-K570 PolarHBondContact O-N 2.69Å; F568-E571 PolarHBondContact O-N 2.92Å; F568-H572 AromaticContact CD2-CD2 3.38Å; F568-H572 WeakPolarHBondContact CD2-CD2 3.12Å; F568-H572 HydrophobicContact CE2-CB 4.17Å; F568-H572 AromaticContact CE2-CD2 3.52Å; F568-H572 HydrophobicContact CZ-CB 4.28Å; F568-H572 PolarHBondContact O-N 3.35Å; F568-L573 HydrophobicContact CD1-CD1 4.41Å; F568-L573 HydrophobicContact CE1-CD1 3.74Å; F568-L573 HydrophobicContact CE1-CG 4.42Å; F568-C585 VanDerWaalsContact CZ-SG 3.6Å; F568-V593 HydrophobicContact CE2-CG2 4.13Å
569	L	98.8	Very high	97.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-57.3	-43.6	177.2	-78.3	161.6	0	0	0	111.4	A536 N539 L543 A565 N567 L573 W574 V610 W629	A536-L569 HydrophobicContact CB-CD2 4.27Å; N539-L569 HydrophobicContact CB-CD1 4.43Å; N539-L569 HydrophobicContact CB-CD2 3.84Å; N539-L569 HydrophobicContact CB-CG 4.26Å; L543-L569 HydrophobicContact CD2-CD1 4.05Å; A565-L569 WeakPolarHBondContact O-CG 3.12Å; A565-L569 PolarHBondContact O-N 2.93Å; N567-L569 PolarHBondContact O-N 3.34Å; L569-L573 HydrophobicContact CD2-CB 4.38Å; L569-L573 HydrophobicContact CD2-CD1 3.8Å; L569-L573 CarbonylContact O-C 3.26Å; L569-L573 WeakPolarHBondContact O-CA 3.5Å; L569-L573 WeakPolarHBondContact O-CB 3.27Å; L569-L573 PolarHBondContact O-N 3.46Å; L569-W574 PolarHBondContact O-N 2.98Å; L569-V610 HydrophobicContact CD1-CG1 4.31Å; L569-V610 HydrophobicContact CD1-CG2 4.17Å; L569-V610 HydrophobicContact CD2-CG2 3.88Å; L569-W629 HydrophobicContact CB-CH2 3.85Å; L569-W629 HydrophobicContact CB-CZ3 4.28Å
570	K	98.1	Very high	97	Very high	88 Å²	88	55.4 Å²	55.4	38%	0.383	27%	0.273	S	S	.	.	H	α-helix	trans	-70.2	-33.4	-179.1	-165.8	173.5	-177.6	176.6	0	112.9	G566 N567 F568 W629	G566-K570 PolarHBondContact O-N 2.72Å; N567-K570 PolarHBondContact O-N 2.67Å; N567-K570 VanDerWaalsContact O-N 3.14Å; F568-K570 VanDerWaalsContact C-N 3.28Å; F568-K570 PolarHBondContact O-N 2.69Å; K570-W629 VanDerWaalsContact CA-CH2 3.41Å; K570-W629 HydrophobicContact CB-CE3 4.3Å; K570-W629 HydrophobicContact CB-CH2 3.56Å; K570-W629 HydrophobicContact CB-CZ2 3.96Å; K570-W629 HydrophobicContact CB-CZ3 3.72Å; K570-W629 HydrophobicContact CD-CD2 4.34Å; K570-W629 HydrophobicContact CD-CE3 4.28Å; K570-W629 HydrophobicContact CG-CD2 4.4Å; K570-W629 HydrophobicContact CG-CE3 4.42Å; K570-W629 HydrophobicContact CG-CH2 4.12Å; K570-W629 HydrophobicContact CG-CZ2 4.04Å; K570-W629 HydrophobicContact CG-CZ3 4.29Å
571	E	97.4	Very high	96.9	Very high	139 Å²	139	49.9 Å²	49.9	65%	0.65	25%	0.247	S	C	*	.	H	α-helix	trans	-82.2	-40.8	-177.3	-173.3	173.8	169.2	0	0	112.8	N567 F568	N567-E571 WeakPolarHBondContact O-CB 3.49Å; N567-E571 PolarHBondContact O-N 2.98Å; F568-E571 PolarHBondContact O-N 2.92Å
572	H	97.6	Very high	96.9	Very high	45 Å²	45	49.5 Å²	49.5	21%	0.208	25%	0.247	C	C	.	.	H	α-helix	trans	-115.1	-18.8	-167.4	-62.7	-62.3	0	0	0	115.1	F568 V593 Q595	F568-H572 AromaticContact CD2-CD2 3.38Å; F568-H572 WeakPolarHBondContact CD2-CD2 3.12Å; F568-H572 HydrophobicContact CE2-CB 4.17Å; F568-H572 AromaticContact CE2-CD2 3.52Å; F568-H572 HydrophobicContact CZ-CB 4.28Å; F568-H572 PolarHBondContact O-N 3.35Å; H572-V593 HydrophobicContact CB-CG1 4Å; H572-Q595 PolarHBondContact O-NE2 3.29Å; H572-Q595 VanDerWaalsContact O-NE2 3.13Å
573	L	98.1	Very high	96.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-120.7	13.1	-175.3	-67.9	169.2	0	0	0	112.9	A536 F568 L569 M581 L582 S584 C585	A536-L573 HydrophobicContact CB-CB 4.3Å; A536-L573 HydrophobicContact CB-CD1 4.09Å; F568-L573 HydrophobicContact CD1-CD1 4.41Å; F568-L573 HydrophobicContact CE1-CD1 3.74Å; F568-L573 HydrophobicContact CE1-CG 4.42Å; L569-L573 HydrophobicContact CD2-CB 4.38Å; L569-L573 HydrophobicContact CD2-CD1 3.8Å; L569-L573 CarbonylContact O-C 3.26Å; L569-L573 WeakPolarHBondContact O-CA 3.5Å; L569-L573 WeakPolarHBondContact O-CB 3.27Å; L569-L573 PolarHBondContact O-N 3.46Å; L573-M581 HydrophobicContact CB-CE 4.34Å; L573-M581 CarbonylContact O-C 3.27Å; L573-M581 WeakPolarHBondContact O-CA 3.33Å; L573-M581 WeakPolarHBondContact O-CE 3.38Å; L573-L582 HydrophobicContact CD2-CB 4.42Å; L573-L582 PolarHBondContact O-N 3.23Å; L573-S584 VanDerWaalsContact CD2-C 3.44Å; L573-C585 HydrophobicContact CD2-CB 4.14Å
574	W	97.6	Very high	96.7	Very high	37 Å²	37	48.3 Å²	48.3	14%	0.14	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126	170.8	173.4	-106	0	0	0	109.7	L569 P576 Q579 N580 M581 W629 L633	L569-W574 PolarHBondContact O-N 2.98Å; W574-P576 VanDerWaalsContact O-CD 3.31Å; W574-P576 WeakPolarHBondContact O-CD 3.32Å; W574-Q579 HydrophobicContact CH2-CB 4.03Å; W574-Q579 VanDerWaalsContact CH2-O 3.28Å; W574-Q579 WeakPolarHBondContact CH2-O 3.05Å; W574-Q579 HydrophobicContact CZ2-CB 3.99Å; W574-N580 VanDerWaalsContact CZ3-C 3.42Å; W574-M581 HydrophobicContact CB-SD 4.39Å; W574-M581 HydrophobicContact CE3-CG 4.05Å; W574-M581 HydrophobicContact CE3-SD 3.8Å; W574-M581 HydrophobicContact CZ3-CG 4.33Å; W574-W629 HydrophobicContact CB-CZ2 4.2Å; W574-W629 HydrophobicContact CG-CZ2 4.44Å; W574-L633 HydrophobicContact CE3-CD2 3.69Å; W574-L633 HydrophobicContact CH2-CD2 4.06Å; W574-L633 HydrophobicContact CZ3-CD2 3.39Å
575	D	95.8	Very high	96.6	Very high	31 Å²	31	43.6 Å²	43.6	17%	0.166	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	108.1	170.2	-176.6	-14.9	0	0	0	109.3	N577 Q578 Q579 N580 L582	D575-N577 PolarHBondContact O-N 3.26Å; D575-N577 WeakPolarHBondContact OD1-CA 3.23Å; D575-N577 VanDerWaalsContact OD1-CB 3.32Å; D575-N577 WeakPolarHBondContact OD1-CB 3.49Å; D575-N577 PolarHBondContact OD1-N 3.31Å; D575-N577 PolarHBondContact OD1-ND2 3.35Å; D575-Q578 HydrophobicContact CB-CB 4.34Å; D575-Q578 PolarHBondContact OD1-N 2.88Å; D575-Q578 WeakPolarHBondContact OD2-CG 3.42Å; D575-Q579 VanDerWaalsContact O-CA 3.23Å; D575-Q579 WeakPolarHBondContact O-CA 3.34Å; D575-Q579 PolarHBondContact O-N 3.43Å; D575-N580 WeakPolarHBondContact CB-OD1 3.45Å; D575-N580 PolarHBondContact N-O 2.98Å; D575-N580 PolarHBondContact O-N 2.82Å; D575-L582 HydrophobicContact CB-CD2 4.3Å
576	P	93.1	Very high	96.4	Very high	86 Å²	86	43.8 Å²	43.8	56%	0.558	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.1	-179.6	29.2	-35.7	0	0	0	113.4	W574	W574-P576 VanDerWaalsContact O-CD 3.31Å; W574-P576 WeakPolarHBondContact O-CD 3.32Å
577	N	92.5	Very high	96	Very high	148 Å²	148	47.4 Å²	47.4	79%	0.791	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-45	-178.9	-55	-63.2	0	0	0	111.2	D575 Q579	D575-N577 PolarHBondContact O-N 3.26Å; D575-N577 WeakPolarHBondContact OD1-CA 3.23Å; D575-N577 VanDerWaalsContact OD1-CB 3.32Å; D575-N577 WeakPolarHBondContact OD1-CB 3.49Å; D575-N577 PolarHBondContact OD1-N 3.31Å; D575-N577 PolarHBondContact OD1-ND2 3.35Å; N577-Q579 VanDerWaalsContact C-N 3.33Å
578	Q	91.3	Very high	95.2	Very high	115 Å²	115	44.3 Å²	44.3	54%	0.537	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-10.5	177	-64.6	-172.3	18.2	0	0	112.9	D575 N580 R636	D575-Q578 HydrophobicContact CB-CB 4.34Å; D575-Q578 PolarHBondContact OD1-N 2.88Å; D575-Q578 WeakPolarHBondContact OD2-CG 3.42Å; Q578-N580 VanDerWaalsContact C-N 3.27Å; Q578-N580 WeakPolarHBondContact CB-OD1 3.44Å; Q578-N580 PolarHBondContact O-N 3.27Å; Q578-N580 PolarHBondContact OE1-ND2 3.2Å; Q578-N580 VanDerWaalsContact OE1-ND2 3.11Å; Q578-R636 PolarHBondContact O-NH2 3.37Å
579	Q	93.4	Very high	94.3	Very high	125 Å²	125	51.4 Å²	51.4	58%	0.584	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	47.2	-174.2	-56	-167.7	-69.6	0	0	111.6	W574 D575 N577 R636	W574-Q579 HydrophobicContact CH2-CB 4.03Å; W574-Q579 VanDerWaalsContact CH2-O 3.28Å; W574-Q579 WeakPolarHBondContact CH2-O 3.05Å; W574-Q579 HydrophobicContact CZ2-CB 3.99Å; D575-Q579 VanDerWaalsContact O-CA 3.23Å; D575-Q579 WeakPolarHBondContact O-CA 3.34Å; D575-Q579 PolarHBondContact O-N 3.43Å; N577-Q579 VanDerWaalsContact C-N 3.33Å; Q579-R636 WeakPolarHBondContact O-CD 3.17Å; Q579-R636 WeakPolarHBondContact O-CG 3.37Å; Q579-R636 PolarHBondContact O-NE 3.3Å
580	N	94.6	Very high	93.4	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.037	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.1	176.2	59.3	3.4	0	0	0	111.1	W574 D575 Q578 Y607	W574-N580 VanDerWaalsContact CZ3-C 3.42Å; D575-N580 WeakPolarHBondContact CB-OD1 3.45Å; D575-N580 PolarHBondContact N-O 2.98Å; D575-N580 PolarHBondContact O-N 2.82Å; Q578-N580 VanDerWaalsContact C-N 3.27Å; Q578-N580 WeakPolarHBondContact CB-OD1 3.44Å; Q578-N580 PolarHBondContact O-N 3.27Å; Q578-N580 PolarHBondContact OE1-ND2 3.2Å; Q578-N580 VanDerWaalsContact OE1-ND2 3.11Å; N580-Y607 WeakPolarHBondContact CA-OH 3.46Å
581	M	97	Very high	92.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	146.7	165.7	-70	-67.8	-62.8	0	0	109.3	A536 L573 W574 G602 Y607 V610 W629 L633	A536-M581 HydrophobicContact CB-CE 3.57Å; L573-M581 HydrophobicContact CB-CE 4.34Å; L573-M581 CarbonylContact O-C 3.27Å; L573-M581 WeakPolarHBondContact O-CA 3.33Å; L573-M581 WeakPolarHBondContact O-CE 3.38Å; W574-M581 HydrophobicContact CB-SD 4.39Å; W574-M581 HydrophobicContact CE3-CG 4.05Å; W574-M581 HydrophobicContact CE3-SD 3.8Å; W574-M581 HydrophobicContact CZ3-CG 4.33Å; M581-G602 PolarHBondContact O-N 3.14Å; M581-Y607 HydrophobicContact CB-CD2 4.3Å; M581-Y607 HydrophobicContact CB-CE1 4.21Å; M581-Y607 HydrophobicContact CB-CE2 3.74Å; M581-Y607 HydrophobicContact CG-CD1 3.94Å; M581-Y607 HydrophobicContact CG-CD2 4.24Å; M581-Y607 HydrophobicContact CG-CE1 3.63Å; M581-Y607 HydrophobicContact CG-CE2 3.98Å; M581-Y607 HydrophobicContact CG-CG 4.24Å; M581-Y607 PolarHBondContact N-OH 3.22Å; M581-V610 HydrophobicContact CE-CG1 4.49Å; M581-V610 HydrophobicContact CE-CG2 3.96Å; M581-W629 HydrophobicContact SD-CZ2 4.42Å; M581-L633 HydrophobicContact CG-CD2 4.06Å; M581-L633 HydrophobicContact SD-CD1 4.29Å; M581-L633 HydrophobicContact SD-CD2 3.96Å
582	L	97.5	Very high	92.2	Very high	16 Å²	16	54.9 Å²	54.9	8%	0.084	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-98.6	143.5	166.8	-55.8	-179.8	0	0	0	108.3	A536 L573 D575 Q595 P599	A536-L582 WeakPolarHBondContact CB-O 3.49Å; L573-L582 HydrophobicContact CD2-CB 4.42Å; L573-L582 PolarHBondContact O-N 3.23Å; D575-L582 HydrophobicContact CB-CD2 4.3Å; L582-Q595 HydrophobicContact CD1-CG 4.26Å; L582-Q595 VanDerWaalsContact CD1-NE2 3.35Å; L582-P599 HydrophobicContact CD1-CB 4.46Å; L582-P599 HydrophobicContact CD2-CB 3.94Å
583	R	96.7	Very high	92	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.015	28%	0.277	C	S	.	.	S	Bend	trans	-64.9	-50.6	-176.7	173.1	54.6	175.1	-174.5	0.3	112.1	E171 L535 A536 S537 I600 F603 D605 D606	E171-R583 PolarHBondContact O-NE 3.47Å; E171-R583 PolarHBondContact O-NH2 3.06Å; L535-R583 WeakPolarHBondContact CA-O 3.39Å; L535-R583 HydrophobicContact CD2-CG 4.22Å; A536-R583 PolarHBondContact N-O 3.41Å; S537-R583 PolarHBondContact OG-NH1 3.43Å; R583-I600 HydrophobicContact CB-CB 4.03Å; R583-I600 HydrophobicContact CB-CG2 3.75Å; R583-I600 HydrophobicContact CG-CG2 4.27Å; R583-I600 PolarHBondContact N-O 3.36Å; R583-F603 HydrophobicContact CG-CD2 4.37Å; R583-F603 HydrophobicContact CG-CE2 4.21Å; R583-D605 IonicContact CZ-OD2 2.8Å; R583-D605 IonicContact NH1-OD1 3.87Å; R583-D605 PolarHBondContact NH1-OD1 2.6Å; R583-D605 IonicContact NH1-OD2 3.07Å; R583-D605 PolarHBondContact NH1-OD2 3.14Å; R583-D605 IonicContact NH2-OD2 3.73Å; R583-D606 WeakPolarHBondContact CD-OD1 3.4Å; R583-D606 WeakPolarHBondContact CD-OD2 3.31Å; R583-D606 IonicContact CZ-OD1 3.42Å; R583-D606 IonicContact CZ-OD2 3.97Å; R583-D606 IonicContact NE-OD2 2.7Å; R583-D606 VanDerWaalsContact NH1-CG 3.25Å; R583-D606 IonicContact NH1-OD1 3.63Å; R583-D606 PolarHBondContact NH1-OD1 3.3Å; R583-D606 IonicContact NH1-OD2 3.92Å; R583-D606 PolarHBondContact NH1-OD2 2.78Å; R583-D606 VanDerWaalsContact NH1-OD2 3.08Å
584	S	96.9	Very high	91.7	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.007	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	162.4	-171.2	59.9	0	0	0	0	111.9	M534 L573 Q595	M534-S584 CarbonylContact O-C 3.28Å; M534-S584 VanDerWaalsContact O-CA 3.24Å; M534-S584 WeakPolarHBondContact O-CA 3.47Å; L573-S584 VanDerWaalsContact CD2-C 3.44Å; S584-Q595 VanDerWaalsContact O-CD 3.27Å; S584-Q595 PolarHBondContact O-NE2 2.87Å; S584-Q595 PolarHBondContact O-OE1 3.07Å
585	C	96.8	Very high	91.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	172.4	160.5	60.7	0	0	0	0	108.9	M534 F568 L573 V593 Q594	M534-C585 PolarHBondContact N-O 3.5Å; M534-C585 PolarHBondContact O-N 2.85Å; F568-C585 VanDerWaalsContact CZ-SG 3.6Å; L573-C585 HydrophobicContact CD2-CB 4.14Å; C585-V593 HydrophobicContact CB-CG1 3.85Å; C585-Q594 WeakPolarHBondContact CA-O 3.34Å; C585-Q594 WeakPolarHBondContact CB-O 3.32Å
586	Y	94.6	Very high	91.2	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.016	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	159.8	-172	-64.5	-84.9	0	0	0	111.1	R98 E172 K533 Q594 I596	R98-Y586 HydrophobicContact CB-CD1 4.26Å; R98-Y586 HydrophobicContact CB-CD2 3.87Å; R98-Y586 HydrophobicContact CB-CE1 4.46Å; R98-Y586 HydrophobicContact CB-CE2 4.08Å; R98-Y586 HydrophobicContact CB-CG 3.97Å; E172-Y586 VanDerWaalsContact CG-OH 3.29Å; E172-Y586 WeakPolarHBondContact CG-OH 3.4Å; E172-Y586 PolarHBondContact OE1-OH 3.45Å; K533-Y586 HydrophobicContact CB-CD1 4.21Å; K533-Y586 HydrophobicContact CB-CE1 3.69Å; K533-Y586 HydrophobicContact CD-CE1 4.34Å; K533-Y586 WeakPolarHBondContact CE-OH 3.48Å; K533-Y586 HydrophobicContact CG-CD1 4.45Å; K533-Y586 HydrophobicContact CG-CE1 3.65Å; Y586-Q594 PolarHBondContact N-O 3Å; Y586-Q594 PolarHBondContact O-N 3.38Å; Y586-I596 HydrophobicContact CD2-CG2 3.92Å; Y586-I596 HydrophobicContact CE2-CG2 3.57Å
587	R	90.8	Very high	91	Very high	75 Å²	75	58.6 Å²	58.6	28%	0.283	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.7	165.6	-162.6	179.3	-143.1	178.1	6.5	110	D403 Y409 T532 V591	D403-R587 IonicContact OD2-CZ 3.26Å; D403-R587 IonicContact OD2-NE 3.2Å; D403-R587 PolarHBondContact OD2-NE 3.09Å; D403-R587 VanDerWaalsContact OD2-NE 3.16Å; D403-R587 IonicContact OD2-NH2 2.7Å; D403-R587 PolarHBondContact OD2-NH2 3.36Å; Y409-R587 HydrophobicContact CE1-CB 4.41Å; Y409-R587 VanDerWaalsContact OH-CD 3.31Å; Y409-R587 WeakPolarHBondContact OH-CD 3.36Å; Y409-R587 PolarHBondContact OH-NE 3.33Å; Y409-R587 PolarHBondContact OH-NH1 2.88Å; T532-R587 HydrophobicContact CG2-CB 4.42Å; R587-V591 VanDerWaalsContact CZ-CG1 3.42Å; R587-V591 VanDerWaalsContact NE-CG1 3.32Å
588	G	82.9	Confident	90.9	Very high	7 Å²	7	56.7 Å²	56.7	7%	0.072	30%	0.299	C	S	.	.			trans	-76.2	168.8	174.2	0	0	0	0	0	113.2	Q590 V591 E592	G588-Q590 PolarHBondContact O-N 2.91Å; G588-V591 PolarHBondContact O-N 3.2Å; G588-E592 PolarHBondContact N-O 3Å
589	D	79.7	Confident	90.9	Very high	151 Å²	151	54.1 Å²	54.1	81%	0.807	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-24	-179.2	-56.7	-44.6	0	0	0	112.8	V591	D589-V591 VanDerWaalsContact C-N 3.33Å
590	Q	79.5	Confident	90.9	Very high	165 Å²	165	49.7 Å²	49.7	77%	0.771	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	18	175.8	-53.2	-174	-11.1	0	0	112.2	G588 E592	G588-Q590 PolarHBondContact O-N 2.91Å; Q590-E592 WeakPolarHBondContact CA-OE2 3.39Å; Q590-E592 VanDerWaalsContact CB-OE2 3.25Å; Q590-E592 WeakPolarHBondContact CB-OE2 3.37Å; Q590-E592 PolarHBondContact N-OE2 3.21Å; Q590-E592 PolarHBondContact O-N 3.11Å
591	V	79.6	Confident	90.9	Very high	67 Å²	67	51.7 Å²	51.7	41%	0.406	29%	0.286	S	S	.	.	S	Bend	trans	68.6	16.8	176.5	-158.5	0	0	0	0	112.9	M76 R587 G588 D589	M76-V591 HydrophobicContact CE-CG1 4.07Å; M76-V591 HydrophobicContact CE-CG2 4.37Å; R587-V591 VanDerWaalsContact CZ-CG1 3.42Å; R587-V591 VanDerWaalsContact NE-CG1 3.32Å; G588-V591 PolarHBondContact O-N 3.2Å; D589-V591 VanDerWaalsContact C-N 3.33Å
592	E	89.9	Confident	90.9	Very high	68 Å²	68	51.8 Å²	51.8	32%	0.318	29%	0.288	S	S	.	.			trans	-89.9	157.2	175	77.3	-78	-146.7	0	0	112.1	G588 Q590 Q594	G588-E592 PolarHBondContact N-O 3Å; Q590-E592 WeakPolarHBondContact CA-OE2 3.39Å; Q590-E592 VanDerWaalsContact CB-OE2 3.25Å; Q590-E592 WeakPolarHBondContact CB-OE2 3.37Å; Q590-E592 PolarHBondContact N-OE2 3.21Å; Q590-E592 PolarHBondContact O-N 3.11Å; E592-Q594 VanDerWaalsContact CD-NE2 3.26Å; E592-Q594 HydrophobicContact CG-CG 3.77Å; E592-Q594 PolarHBondContact OE1-NE2 2.5Å
593	V	93.7	Very high	90.8	Very high	36 Å²	36	51.8 Å²	51.8	22%	0.218	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	124	172.6	-176.3	0	0	0	0	108.8	M534 F568 H572 C585	M534-V593 HydrophobicContact CE-CG1 4.31Å; M534-V593 HydrophobicContact CE-CG2 4.34Å; F568-V593 HydrophobicContact CE2-CG2 4.13Å; H572-V593 HydrophobicContact CB-CG1 4Å; C585-V593 HydrophobicContact CB-CG1 3.85Å
594	Q	92.6	Very high	90.9	Very high	37 Å²	37	51.7 Å²	51.7	17%	0.173	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	148.8	-178.8	-63.4	-170.7	-3.4	0	0	111.9	C585 Y586 E592	C585-Q594 WeakPolarHBondContact CA-O 3.34Å; C585-Q594 WeakPolarHBondContact CB-O 3.32Å; Y586-Q594 PolarHBondContact N-O 3Å; Y586-Q594 PolarHBondContact O-N 3.38Å; E592-Q594 VanDerWaalsContact CD-NE2 3.26Å; E592-Q594 HydrophobicContact CG-CG 3.77Å; E592-Q594 PolarHBondContact OE1-NE2 2.5Å
595	Q	92.3	Very high	90.9	Very high	59 Å²	59	52 Å²	52	28%	0.276	29%	0.288	S	S	.	.			trans	-101.6	150.9	170	-79.1	-67.1	-10.4	0	0	110.6	H572 L582 S584 P599	H572-Q595 PolarHBondContact O-NE2 3.29Å; H572-Q595 VanDerWaalsContact O-NE2 3.13Å; L582-Q595 HydrophobicContact CD1-CG 4.26Å; L582-Q595 VanDerWaalsContact CD1-NE2 3.35Å; S584-Q595 VanDerWaalsContact O-CD 3.27Å; S584-Q595 PolarHBondContact O-NE2 2.87Å; S584-Q595 PolarHBondContact O-OE1 3.07Å; Q595-P599 HydrophobicContact CB-CG 4.46Å
596	I	90.6	Very high	91	Very high	21 Å²	21	52 Å²	52	11%	0.108	29%	0.288	C	S	.	.			trans	-72.5	159.7	165	53.2	165.1	0	0	0	109.7	R98 Y586 P598 P599 I600	R98-I596 HydrophobicContact CB-CG2 3.55Å; R98-I596 HydrophobicContact CG-CG2 3.6Å; Y586-I596 HydrophobicContact CD2-CG2 3.92Å; Y586-I596 HydrophobicContact CE2-CG2 3.57Å; I596-P598 CarbonylContact O-C 3.24Å; I596-P598 VanDerWaalsContact O-C 3.26Å; I596-P599 WeakPolarHBondContact O-CD 3.45Å; I596-P599 VanDerWaalsContact O-N 3.12Å; I596-I600 HydrophobicContact CD1-CB 4.49Å; I596-I600 HydrophobicContact CD1-CD1 3.6Å; I596-I600 HydrophobicContact CD1-CG1 3.66Å
597	S	87.8	Confident	91.2	Very high	125 Å²	125	51.8 Å²	51.8	87%	0.874	29%	0.288	S	S	*	.	S	Bend	trans	-126.9	111.4	-176.7	176.2	0	0	0	0	111.1
598	P	89.7	Confident	91.6	Very high	108 Å²	108	48.2 Å²	48.2	70%	0.701	27%	0.274	S	S	*	.	S	Bend	cis	-72.3	155.2	-3.4	31.2	-35.2	0	0	0	113.1	I596	I596-P598 CarbonylContact O-C 3.24Å; I596-P598 VanDerWaalsContact O-C 3.26Å
599	P	92.9	Very high	92.3	Very high	61 Å²	61	48 Å²	48	40%	0.396	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-61.6	150.3	171.2	-22.6	33.7	0	0	0	112.6	L582 Q595 I596	L582-P599 HydrophobicContact CD1-CB 4.46Å; L582-P599 HydrophobicContact CD2-CB 3.94Å; Q595-P599 HydrophobicContact CB-CG 4.46Å; I596-P599 WeakPolarHBondContact O-CD 3.45Å; I596-P599 VanDerWaalsContact O-N 3.12Å
600	I	93.3	Very high	93.2	Very high	31 Å²	31	40.8 Å²	40.8	16%	0.159	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-87.4	125.3	169.3	-65.1	164.6	0	0	0	108.4	E172 R583 I596 F603	E172-I600 HydrophobicContact CB-CD1 3.83Å; E172-I600 HydrophobicContact CG-CD1 4.41Å; R583-I600 HydrophobicContact CB-CB 4.03Å; R583-I600 HydrophobicContact CB-CG2 3.75Å; R583-I600 HydrophobicContact CG-CG2 4.27Å; R583-I600 PolarHBondContact N-O 3.36Å; I596-I600 HydrophobicContact CD1-CB 4.49Å; I596-I600 HydrophobicContact CD1-CD1 3.6Å; I596-I600 HydrophobicContact CD1-CG1 3.66Å; I600-F603 HydrophobicContact CG2-CE2 3.9Å; I600-F603 HydrophobicContact CG2-CZ 4.03Å
601	C	94.9	Very high	94.2	Very high	49 Å²	49	33 Å²	33	33%	0.331	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-63.4	145.6	172.3	-61.7	0	0	0	0	110.8
602	G	95.9	Very high	95.1	Very high	3 Å²	3	30.9 Å²	30.9	3%	0.031	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-64.6	146.6	177.3	0	0	0	0	0	112.5	M581 D606	M581-G602 PolarHBondContact O-N 3.14Å; G602-D606 VanDerWaalsContact CA-OD2 3.27Å; G602-D606 WeakPolarHBondContact CA-OD2 3.35Å
603	F	96.5	Very high	95.5	Very high	16 Å²	16	27.6 Å²	27.6	7%	0.07	17%	0.169	C	C	.	.			trans	-95.7	177.1	175.4	-60.1	-75.9	0	0	0	110.7	P174 D175 R583 I600 D605 D606 Y607 C651	P174-F603 HydrophobicContact CG-CD2 3.54Å; P174-F603 HydrophobicContact CG-CE2 3.81Å; P174-F603 HydrophobicContact CG-CG 4.08Å; D175-F603 HydrophobicContact CB-CD1 3.94Å; D175-F603 HydrophobicContact CB-CE1 3.48Å; D175-F603 VanDerWaalsContact CB-CE1 3.48Å; D175-F603 HydrophobicContact CB-CZ 4.11Å; D175-F603 WeakPolarHBondContact OD1-CZ 3.28Å; R583-F603 HydrophobicContact CG-CD2 4.37Å; R583-F603 HydrophobicContact CG-CE2 4.21Å; I600-F603 HydrophobicContact CG2-CE2 3.9Å; I600-F603 HydrophobicContact CG2-CZ 4.03Å; F603-D605 VanDerWaalsContact CB-OD1 3.23Å; F603-D605 WeakPolarHBondContact CB-OD1 3.47Å; F603-D605 PolarHBondContact O-N 3.21Å; F603-D606 PolarHBondContact N-OD2 3.08Å; F603-D606 WeakPolarHBondContact O-CB 3.27Å; F603-D606 PolarHBondContact O-N 2.83Å; F603-Y607 WeakPolarHBondContact O-CD2 3.37Å; F603-Y607 PolarHBondContact O-N 3.41Å; F603-C651 WeakPolarHBondContact CB-O 3.45Å
604	L	97.6	Very high	95.8	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-52.5	-40.3	-177.7	177.3	63.1	0	0	0	113.6	D606 Y607 A608 Q637 F641 Y649 C651 A674	L604-D606 VanDerWaalsContact C-N 3.34Å; L604-D606 PolarHBondContact O-N 2.72Å; L604-Y607 PolarHBondContact O-N 3.01Å; L604-A608 WeakPolarHBondContact O-CB 3.21Å; L604-A608 PolarHBondContact O-N 3.48Å; L604-Q637 HydrophobicContact CD1-CG 3.71Å; L604-F641 HydrophobicContact CB-CG 4.36Å; L604-F641 HydrophobicContact CD1-CB 4.05Å; L604-F641 HydrophobicContact CD1-CD2 4.12Å; L604-F641 HydrophobicContact CD1-CG 4.2Å; L604-Y649 HydrophobicContact CD1-CD1 4.06Å; L604-Y649 HydrophobicContact CD1-CD2 4.47Å; L604-Y649 HydrophobicContact CD1-CG 3.8Å; L604-Y649 VanDerWaalsContact CD2-CB 3.43Å; L604-Y649 HydrophobicContact CD2-CG 4.46Å; L604-C651 PolarHBondContact N-O 3.42Å; L604-C651 VanDerWaalsContact N-O 3.15Å; L604-A674 HydrophobicContact CB-CB 4.32Å; L604-A674 HydrophobicContact CD2-CB 3.8Å; L604-A674 HydrophobicContact CG-CB 3.64Å
605	D	97.3	Very high	96.1	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.043	15%	0.15	C	C	.	.	H	α-helix	trans	-65.6	-33.4	179.3	56.5	-43.4	0	0	0	113	S537 R583 F603 Y607 F609 A674	S537-D605 PolarHBondContact OG-OD2 3.12Å; R583-D605 IonicContact CZ-OD2 2.8Å; R583-D605 IonicContact NH1-OD1 3.87Å; R583-D605 PolarHBondContact NH1-OD1 2.6Å; R583-D605 IonicContact NH1-OD2 3.07Å; R583-D605 PolarHBondContact NH1-OD2 3.14Å; R583-D605 IonicContact NH2-OD2 3.73Å; F603-D605 VanDerWaalsContact CB-OD1 3.23Å; F603-D605 WeakPolarHBondContact CB-OD1 3.47Å; F603-D605 PolarHBondContact O-N 3.21Å; D605-Y607 VanDerWaalsContact C-N 3.3Å; D605-Y607 PolarHBondContact O-N 3.23Å; D605-F609 HydrophobicContact CB-CD2 4.34Å; D605-F609 HydrophobicContact CB-CE2 3.92Å; D605-F609 HydrophobicContact CB-CZ 4.02Å; D605-F609 WeakPolarHBondContact O-CB 3.04Å; D605-F609 VanDerWaalsContact O-CG 3.3Å; D605-F609 WeakPolarHBondContact O-CG 3.25Å; D605-F609 PolarHBondContact O-N 3.28Å; D605-A674 HydrophobicContact CB-CB 3.96Å
606	D	98.6	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.4	-38.6	175.4	-62.3	-55.7	0	0	0	111.5	A536 S537 R583 G602 F603 L604 V610	A536-D606 HydrophobicContact CB-CB 3.89Å; A536-D606 WeakPolarHBondContact CB-OD1 3.36Å; S537-D606 WeakPolarHBondContact CB-OD1 3.33Å; S537-D606 PolarHBondContact N-OD1 2.96Å; R583-D606 WeakPolarHBondContact CD-OD1 3.4Å; R583-D606 WeakPolarHBondContact CD-OD2 3.31Å; R583-D606 IonicContact CZ-OD1 3.42Å; R583-D606 IonicContact CZ-OD2 3.97Å; R583-D606 IonicContact NE-OD2 2.7Å; R583-D606 VanDerWaalsContact NH1-CG 3.25Å; R583-D606 IonicContact NH1-OD1 3.63Å; R583-D606 PolarHBondContact NH1-OD1 3.3Å; R583-D606 IonicContact NH1-OD2 3.92Å; R583-D606 PolarHBondContact NH1-OD2 2.78Å; R583-D606 VanDerWaalsContact NH1-OD2 3.08Å; G602-D606 VanDerWaalsContact CA-OD2 3.27Å; G602-D606 WeakPolarHBondContact CA-OD2 3.35Å; F603-D606 PolarHBondContact N-OD2 3.08Å; F603-D606 WeakPolarHBondContact O-CB 3.27Å; F603-D606 PolarHBondContact O-N 2.83Å; L604-D606 VanDerWaalsContact C-N 3.34Å; L604-D606 PolarHBondContact O-N 2.72Å; D606-V610 VanDerWaalsContact O-CB 3.25Å; D606-V610 WeakPolarHBondContact O-CB 3.35Å; D606-V610 WeakPolarHBondContact O-CG2 3.24Å; D606-V610 PolarHBondContact O-N 3.48Å
607	Y	98.8	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-76.4	-50.2	175.5	-71.1	-98.3	0	0	0	111.6	N580 M581 F603 L604 D605 F609 V610 V611 L633 R636 Q637 L640 F641	N580-Y607 WeakPolarHBondContact CA-OH 3.46Å; M581-Y607 HydrophobicContact CB-CD2 4.3Å; M581-Y607 HydrophobicContact CB-CE1 4.21Å; M581-Y607 HydrophobicContact CB-CE2 3.74Å; M581-Y607 HydrophobicContact CG-CD1 3.94Å; M581-Y607 HydrophobicContact CG-CD2 4.24Å; M581-Y607 HydrophobicContact CG-CE1 3.63Å; M581-Y607 HydrophobicContact CG-CE2 3.98Å; M581-Y607 HydrophobicContact CG-CG 4.24Å; M581-Y607 PolarHBondContact N-OH 3.22Å; F603-Y607 WeakPolarHBondContact O-CD2 3.37Å; F603-Y607 PolarHBondContact O-N 3.41Å; L604-Y607 PolarHBondContact O-N 3.01Å; D605-Y607 VanDerWaalsContact C-N 3.3Å; D605-Y607 PolarHBondContact O-N 3.23Å; Y607-F609 VanDerWaalsContact C-N 3.33Å; Y607-F609 PolarHBondContact O-N 3.14Å; Y607-V610 PolarHBondContact O-N 3.23Å; Y607-V611 WeakPolarHBondContact O-CB 3.47Å; Y607-V611 VanDerWaalsContact O-CG2 3.25Å; Y607-V611 WeakPolarHBondContact O-CG2 3.27Å; Y607-V611 PolarHBondContact O-N 3.44Å; Y607-L633 HydrophobicContact CD1-CB 4.39Å; Y607-L633 HydrophobicContact CD1-CD2 4.27Å; Y607-L633 HydrophobicContact CE1-CD2 4.18Å; Y607-R636 HydrophobicContact CE1-CB 4.02Å; Y607-R636 HydrophobicContact CE1-CG 3.76Å; Y607-Q637 HydrophobicContact CD1-CB 4.19Å; Y607-Q637 HydrophobicContact CG-CB 4.21Å; Y607-Q637 HydrophobicContact CG-CG 4.48Å; Y607-L640 HydrophobicContact CE2-CD1 4.17Å; Y607-L640 VanDerWaalsContact OH-CD1 3.3Å; Y607-L640 WeakPolarHBondContact OH-CD1 3.49Å; Y607-F641 AromaticContact CD2-CE2 3.57Å; Y607-F641 HydrophobicContact CD2-CE2 3.57Å; Y607-F641 HydrophobicContact CD2-CZ 4.23Å; Y607-F641 AromaticContact CE2-CE2 3.65Å; Y607-F641 HydrophobicContact CE2-CE2 3.65Å; Y607-F641 HydrophobicContact CE2-CZ 4.05Å; Y607-F641 HydrophobicContact CG-CE2 4.32Å
608	A	98.8	Very high	97.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.4	-43	-173.3	0	0	0	0	0	111.9	L604 C612 A674 V677 S678 N681	L604-A608 WeakPolarHBondContact O-CB 3.21Å; L604-A608 PolarHBondContact O-N 3.48Å; A608-C612 WeakPolarHBondContact O-CB 3.27Å; A608-C612 PolarHBondContact O-N 3.31Å; A608-C612 VanDerWaalsContact O-N 3.1Å; A608-A674 HydrophobicContact CB-CB 3.97Å; A608-V677 HydrophobicContact CB-CB 4.43Å; A608-V677 HydrophobicContact CB-CG1 4.48Å; A608-S678 WeakPolarHBondContact CB-OG 3.28Å; A608-N681 PolarHBondContact O-ND2 3.35Å
609	F	98.9	Very high	97.6	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.009	7%	0.068	C	C	.	.	H	α-helix	trans	-79.4	-33.9	-176.6	-58.5	-9.3	0	0	0	112.1	S537 G540 L541 D605 Y607 C612 G613 P672 A674 V677	S537-F609 WeakPolarHBondContact O-CB 3.27Å; G540-F609 CarbonylContact C-O 3.38Å; L541-F609 HydrophobicContact CD1-CD2 3.75Å; L541-F609 HydrophobicContact CD1-CE2 3.97Å; L541-F609 HydrophobicContact CD1-CG 4.44Å; L541-F609 HydrophobicContact CD2-CB 4.01Å; L541-F609 HydrophobicContact CD2-CD1 4.2Å; L541-F609 HydrophobicContact CD2-CD2 3.96Å; L541-F609 HydrophobicContact CD2-CG 3.79Å; L541-F609 HydrophobicContact CG-CB 4.03Å; L541-F609 HydrophobicContact CG-CD2 3.64Å; L541-F609 HydrophobicContact CG-CE2 4.33Å; L541-F609 HydrophobicContact CG-CG 3.91Å; D605-F609 HydrophobicContact CB-CD2 4.34Å; D605-F609 HydrophobicContact CB-CE2 3.92Å; D605-F609 HydrophobicContact CB-CZ 4.02Å; D605-F609 WeakPolarHBondContact O-CB 3.04Å; D605-F609 VanDerWaalsContact O-CG 3.3Å; D605-F609 WeakPolarHBondContact O-CG 3.25Å; D605-F609 PolarHBondContact O-N 3.28Å; Y607-F609 VanDerWaalsContact C-N 3.33Å; Y607-F609 PolarHBondContact O-N 3.14Å; F609-C612 PolarHBondContact O-N 3.4Å; F609-G613 PolarHBondContact O-N 2.88Å; F609-P672 HydrophobicContact CE1-CG 3.94Å; F609-P672 HydrophobicContact CZ-CG 3.92Å; F609-P672 VanDerWaalsContact CZ-O 3.25Å; F609-P672 WeakPolarHBondContact CZ-O 3.38Å; F609-A674 HydrophobicContact CE1-CB 4.32Å; F609-V677 HydrophobicContact CD1-CB 4.12Å; F609-V677 HydrophobicContact CD1-CG1 4.09Å; F609-V677 HydrophobicContact CD1-CG2 3.93Å; F609-V677 HydrophobicContact CE1-CB 4.11Å; F609-V677 HydrophobicContact CE1-CG2 3.65Å
610	V	98.9	Very high	97.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-67.3	-43.8	173.5	172.4	0	0	0	0	110.8	A536 L569 M581 D606 Y607 C612 G613 L614 W629 L633	A536-V610 HydrophobicContact CB-CG2 4.47Å; A536-V610 WeakPolarHBondContact O-CG2 3.41Å; L569-V610 HydrophobicContact CD1-CG1 4.31Å; L569-V610 HydrophobicContact CD1-CG2 4.17Å; L569-V610 HydrophobicContact CD2-CG2 3.88Å; M581-V610 HydrophobicContact CE-CG1 4.49Å; M581-V610 HydrophobicContact CE-CG2 3.96Å; D606-V610 VanDerWaalsContact O-CB 3.25Å; D606-V610 WeakPolarHBondContact O-CB 3.35Å; D606-V610 WeakPolarHBondContact O-CG2 3.24Å; D606-V610 PolarHBondContact O-N 3.48Å; Y607-V610 PolarHBondContact O-N 3.23Å; V610-C612 VanDerWaalsContact C-N 3.3Å; V610-C612 PolarHBondContact O-N 3.05Å; V610-G613 PolarHBondContact O-N 3.12Å; V610-L614 HydrophobicContact CG1-CD1 3.83Å; V610-L614 HydrophobicContact CG1-CG 4.14Å; V610-L614 WeakPolarHBondContact O-CB 3.28Å; V610-L614 VanDerWaalsContact O-CG 3.23Å; V610-L614 WeakPolarHBondContact O-CG 2.9Å; V610-L614 PolarHBondContact O-N 2.86Å; V610-W629 HydrophobicContact CG1-CH2 4.45Å; V610-L633 HydrophobicContact CB-CD1 4.48Å; V610-L633 HydrophobicContact CG1-CD1 3.64Å
611	V	98.9	Very high	98	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-57.8	-44.6	173.7	171.4	0	0	0	0	110.6	Y607 G613 L614 L615 A630 L633 N681 L685	Y607-V611 WeakPolarHBondContact O-CB 3.47Å; Y607-V611 VanDerWaalsContact O-CG2 3.25Å; Y607-V611 WeakPolarHBondContact O-CG2 3.27Å; Y607-V611 PolarHBondContact O-N 3.44Å; V611-G613 PolarHBondContact O-N 3.26Å; V611-L614 PolarHBondContact O-N 2.73Å; V611-L615 HydrophobicContact CG1-CD1 4.09Å; V611-L615 HydrophobicContact CG1-CG 4.42Å; V611-L615 VanDerWaalsContact O-CG 3.26Å; V611-L615 WeakPolarHBondContact O-CG 3.38Å; V611-L615 PolarHBondContact O-N 3.15Å; V611-A630 HydrophobicContact CG1-CB 4.34Å; V611-L633 HydrophobicContact CG2-CB 3.66Å; V611-N681 HydrophobicContact CG1-CB 3.85Å; V611-N681 WeakPolarHBondContact CG1-ND2 3.3Å; V611-L685 HydrophobicContact CG1-CD1 4.05Å
612	C	98.9	Very high	98.1	Very high	23 Å²	23	6.7 Å²	6.7	16%	0.155	4%	0.038	C	C	.	.	H	α-helix	trans	-58.3	-49.7	175.8	-178	0	0	0	0	111.9	A608 F609 V610 L614 L615 D616 V677 N681	A608-C612 WeakPolarHBondContact O-CB 3.27Å; A608-C612 PolarHBondContact O-N 3.31Å; A608-C612 VanDerWaalsContact O-N 3.1Å; F609-C612 PolarHBondContact O-N 3.4Å; V610-C612 VanDerWaalsContact C-N 3.3Å; V610-C612 PolarHBondContact O-N 3.05Å; C612-L614 VanDerWaalsContact C-N 3.35Å; C612-L614 PolarHBondContact O-N 3.47Å; C612-L615 PolarHBondContact O-N 2.96Å; C612-D616 PolarHBondContact O-N 3.39Å; C612-V677 HydrophobicContact CB-CG1 3.7Å; C612-N681 WeakPolarHBondContact CA-OD1 3.43Å
613	G	98.9	Very high	98.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.6	-37.6	177.3	0	0	0	0	0	113.8	F609 V610 V611 D616 L617	F609-G613 PolarHBondContact O-N 2.88Å; V610-G613 PolarHBondContact O-N 3.12Å; V611-G613 PolarHBondContact O-N 3.26Å; G613-D616 PolarHBondContact O-N 3.28Å; G613-L617 VanDerWaalsContact O-CB 3.3Å; G613-L617 WeakPolarHBondContact O-CB 3.42Å; G613-L617 PolarHBondContact O-N 3.05Å
614	L	98.9	Very high	98	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-69.9	-37.3	177.2	-70.8	173.5	0	0	0	112.9	L543 V610 V611 C612 L617 Y618 W626 W629 A630 L633	L543-L614 HydrophobicContact CD2-CD2 4.22Å; L543-L614 HydrophobicContact CD2-CG 4.49Å; V610-L614 HydrophobicContact CG1-CD1 3.83Å; V610-L614 HydrophobicContact CG1-CG 4.14Å; V610-L614 WeakPolarHBondContact O-CB 3.28Å; V610-L614 VanDerWaalsContact O-CG 3.23Å; V610-L614 WeakPolarHBondContact O-CG 2.9Å; V610-L614 PolarHBondContact O-N 2.86Å; V611-L614 PolarHBondContact O-N 2.73Å; C612-L614 VanDerWaalsContact C-N 3.35Å; C612-L614 PolarHBondContact O-N 3.47Å; L614-L617 PolarHBondContact O-N 3.17Å; L614-Y618 WeakPolarHBondContact O-CB 3.33Å; L614-Y618 PolarHBondContact O-N 3.22Å; L614-W626 HydrophobicContact CD2-CB 4.34Å; L614-W626 HydrophobicContact CD2-CD2 4.43Å; L614-W626 HydrophobicContact CD2-CE3 3.67Å; L614-W626 HydrophobicContact CD2-CZ3 4.39Å; L614-W629 HydrophobicContact CD1-CB 4.38Å; L614-W629 HydrophobicContact CD1-CD2 3.82Å; L614-W629 HydrophobicContact CD1-CE3 3.42Å; L614-W629 VanDerWaalsContact CD1-CE3 3.42Å; L614-W629 HydrophobicContact CD1-CG 4.27Å; L614-W629 HydrophobicContact CD1-CZ3 3.9Å; L614-W629 HydrophobicContact CD2-CE3 3.53Å; L614-W629 HydrophobicContact CD2-CZ3 3.76Å; L614-W629 HydrophobicContact CG-CE3 4.1Å; L614-W629 HydrophobicContact CG-CZ3 4.35Å; L614-A630 HydrophobicContact CB-CB 3.94Å; L614-A630 HydrophobicContact CD1-CB 4.33Å; L614-L633 HydrophobicContact CD1-CD1 3.79Å
615	L	98.9	Very high	98	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.6	-41.4	173.8	-67.6	173.1	0	0	0	111	V611 C612 Y618 E619 L627 A630 N681 R684 L685 Y688	V611-L615 HydrophobicContact CG1-CD1 4.09Å; V611-L615 HydrophobicContact CG1-CG 4.42Å; V611-L615 VanDerWaalsContact O-CG 3.26Å; V611-L615 WeakPolarHBondContact O-CG 3.38Å; V611-L615 PolarHBondContact O-N 3.15Å; C612-L615 PolarHBondContact O-N 2.96Å; L615-Y618 PolarHBondContact O-N 3.06Å; L615-E619 PolarHBondContact O-N 3.25Å; L615-L627 HydrophobicContact CD2-CD1 3.64Å; L615-A630 HydrophobicContact CD2-CB 4.05Å; L615-A630 HydrophobicContact CG-CB 4.27Å; L615-N681 HydrophobicContact CD1-CB 4.35Å; L615-R684 VanDerWaalsContact CB-CZ 3.44Å; L615-R684 HydrophobicContact CD1-CB 3.97Å; L615-L685 HydrophobicContact CD1-CG 4.24Å; L615-L685 HydrophobicContact CD2-CD2 3.8Å; L615-L685 HydrophobicContact CD2-CG 4.14Å; L615-Y688 HydrophobicContact CD2-CD2 4.06Å; L615-Y688 HydrophobicContact CD2-CE2 4.13Å
616	D	98.9	Very high	98	Very high	14 Å²	14	14.8 Å²	14.8	8%	0.075	8%	0.078	C	C	.	.	H	α-helix	trans	-67.7	-39	175.1	-70.3	-7.7	0	0	0	112.1	S544 A547 R548 C612 G613 Y618 E619 A620 R684	S544-D616 WeakPolarHBondContact CB-OD2 3.35Å; S544-D616 PolarHBondContact OG-OD2 2.94Å; A547-D616 HydrophobicContact CB-CB 4.27Å; R548-D616 VanDerWaalsContact CD-OD2 3.31Å; R548-D616 WeakPolarHBondContact CD-OD2 3.48Å; R548-D616 HydrophobicContact CG-CB 4.13Å; C612-D616 PolarHBondContact O-N 3.39Å; G613-D616 PolarHBondContact O-N 3.28Å; D616-Y618 VanDerWaalsContact C-N 3.34Å; D616-E619 PolarHBondContact O-N 3.38Å; D616-A620 VanDerWaalsContact O-CB 3.27Å; D616-A620 WeakPolarHBondContact O-CB 3.49Å; D616-A620 PolarHBondContact O-N 2.67Å; D616-R684 IonicContact OD1-CZ 2.94Å; D616-R684 IonicContact OD1-NH1 2.77Å; D616-R684 PolarHBondContact OD1-NH1 2.93Å; D616-R684 IonicContact OD1-NH2 3.39Å; D616-R684 PolarHBondContact OD1-NH2 2.99Å
617	L	98.8	Very high	98	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64	-40.5	174	-177.9	63.5	0	0	0	111.4	L543 A547 A562 V563 G613 L614 A620 T621 W626	L543-L617 HydrophobicContact CD1-CB 4.3Å; L543-L617 HydrophobicContact CD1-CD1 4.33Å; L543-L617 HydrophobicContact CD1-CD2 4.01Å; L543-L617 HydrophobicContact CD1-CG 4.44Å; A547-L617 HydrophobicContact CB-CB 4.41Å; A547-L617 HydrophobicContact CB-CD1 4.43Å; A562-L617 HydrophobicContact CB-CD1 3.71Å; V563-L617 HydrophobicContact CG2-CD1 4.03Å; G613-L617 VanDerWaalsContact O-CB 3.3Å; G613-L617 WeakPolarHBondContact O-CB 3.42Å; G613-L617 PolarHBondContact O-N 3.05Å; L614-L617 PolarHBondContact O-N 3.17Å; L617-A620 PolarHBondContact O-N 3.19Å; L617-T621 HydrophobicContact CD1-CG2 3.75Å; L617-T621 HydrophobicContact CG-CG2 4.44Å; L617-T621 WeakPolarHBondContact O-CB 3.29Å; L617-T621 WeakPolarHBondContact O-CG2 3.36Å; L617-T621 PolarHBondContact O-N 3.13Å; L617-T621 PolarHBondContact O-OG1 3.05Å; L617-W626 HydrophobicContact CD2-CB 4.46Å; L617-W626 HydrophobicContact CD2-CD2 3.41Å; L617-W626 VanDerWaalsContact CD2-CD2 3.41Å; L617-W626 VanDerWaalsContact CD2-CE2 3.47Å; L617-W626 HydrophobicContact CD2-CE3 3.91Å; L617-W626 HydrophobicContact CD2-CG 3.65Å; L617-W626 HydrophobicContact CD2-CH2 4.4Å; L617-W626 HydrophobicContact CD2-CZ2 4Å; L617-W626 HydrophobicContact CD2-CZ3 4.36Å; L617-W626 HydrophobicContact CG-CD2 4.28Å; L617-W626 HydrophobicContact CG-CG 4Å
618	Y	98.6	Very high	98	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-62.4	-45.8	172.4	163	-97.2	0	0	0	111.3	L614 L615 D616 A620 T621 F622 L627 Y688 V761 L772	L614-Y618 WeakPolarHBondContact O-CB 3.33Å; L614-Y618 PolarHBondContact O-N 3.22Å; L615-Y618 PolarHBondContact O-N 3.06Å; D616-Y618 VanDerWaalsContact C-N 3.34Å; Y618-A620 PolarHBondContact O-N 3.35Å; Y618-T621 PolarHBondContact O-N 2.78Å; Y618-F622 WeakPolarHBondContact O-CA 3.29Å; Y618-F622 PolarHBondContact O-N 2.89Å; Y618-L627 HydrophobicContact CD1-CB 4.41Å; Y618-L627 HydrophobicContact CD1-CD2 4.43Å; Y618-L627 HydrophobicContact CD2-CB 3.77Å; Y618-L627 HydrophobicContact CD2-CD2 4.34Å; Y618-L627 HydrophobicContact CE1-CD2 4.21Å; Y618-L627 HydrophobicContact CE2-CB 4.31Å; Y618-L627 HydrophobicContact CE2-CD2 4.09Å; Y618-L627 HydrophobicContact CG-CB 3.83Å; Y618-Y688 HydrophobicContact CD1-CE1 4.29Å; Y618-Y688 HydrophobicContact CE1-CD1 4.09Å; Y618-Y688 AromaticContact CE1-CE1 3.51Å; Y618-Y688 HydrophobicContact CE1-CE1 3.51Å; Y618-Y688 HydrophobicContact CE1-CE2 4.5Å; Y618-Y688 AromaticContact CE1-CZ 3.74Å; Y618-V761 WeakPolarHBondContact CE1-O 3.4Å; Y618-L772 HydrophobicContact CE2-CD1 4.42Å; Y618-L772 WeakPolarHBondContact OH-CD1 3.44Å
619	E	97.6	Very high	97.9	Very high	30 Å²	30	20.5 Å²	20.5	14%	0.14	10%	0.099	C	C	.	.	H	α-helix	trans	-66.3	-28	177.7	-75.1	180	-150.7	0	0	112.9	L615 D616 F622 R684 Y688 V761	L615-E619 PolarHBondContact O-N 3.25Å; D616-E619 PolarHBondContact O-N 3.38Å; E619-F622 WeakPolarHBondContact O-CE2 3.27Å; E619-F622 WeakPolarHBondContact O-CZ 3.44Å; E619-R684 VanDerWaalsContact CD-NH2 3.25Å; E619-R684 IonicContact OE1-CZ 3.35Å; E619-R684 IonicContact OE1-NE 3.79Å; E619-R684 PolarHBondContact OE1-NE 3.49Å; E619-R684 IonicContact OE1-NH2 3.52Å; E619-R684 PolarHBondContact OE1-NH2 3.44Å; E619-R684 IonicContact OE2-NH2 3.65Å; E619-Y688 WeakPolarHBondContact CG-OH 3.41Å; E619-Y688 PolarHBondContact OE1-OH 3.21Å; E619-V761 HydrophobicContact CG-CB 4.39Å
620	A	97.8	Very high	97.9	Very high	15 Å²	15	20.4 Å²	20.4	12%	0.124	10%	0.099	C	C	.	.	H	α-helix	trans	-79.6	-30.9	177.5	0	0	0	0	0	113.3	A547 A551 L559 D616 L617 Y618	A547-A620 HydrophobicContact CB-CB 3.99Å; A547-A620 WeakPolarHBondContact O-CB 3.43Å; A551-A620 HydrophobicContact CB-CB 3.89Å; L559-A620 HydrophobicContact CD2-CB 3.76Å; D616-A620 VanDerWaalsContact O-CB 3.27Å; D616-A620 WeakPolarHBondContact O-CB 3.49Å; D616-A620 PolarHBondContact O-N 2.67Å; L617-A620 PolarHBondContact O-N 3.19Å; Y618-A620 PolarHBondContact O-N 3.35Å
621	T	96.5	Very high	97.9	Very high	6 Å²	6	21 Å²	21	4%	0.037	10%	0.102	C	C	.	.	H	α-helix	trans	-121.5	-14.2	-170.4	67.9	0	0	0	0	114.5	V563 L617 Y618 Q623 R739	V563-T621 HydrophobicContact CG2-CG2 4.09Å; L617-T621 HydrophobicContact CD1-CG2 3.75Å; L617-T621 HydrophobicContact CG-CG2 4.44Å; L617-T621 WeakPolarHBondContact O-CB 3.29Å; L617-T621 WeakPolarHBondContact O-CG2 3.36Å; L617-T621 PolarHBondContact O-N 3.13Å; L617-T621 PolarHBondContact O-OG1 3.05Å; Y618-T621 PolarHBondContact O-N 2.78Å; T621-Q623 PolarHBondContact O-N 3.35Å; T621-Q623 PolarHBondContact OG1-N 2.83Å; T621-R739 PolarHBondContact O-NH1 3.23Å; T621-R739 PolarHBondContact O-NH2 3.23Å
622	F	95.8	Very high	97.8	Very high	22 Å²	22	25.8 Å²	25.8	10%	0.096	12%	0.124	C	C	.	.			trans	49.9	20.1	-172	-56.6	-72.2	0	0	0	115.5	Y618 E619 T624 L748 V761 H763	Y618-F622 WeakPolarHBondContact O-CA 3.29Å; Y618-F622 PolarHBondContact O-N 2.89Å; E619-F622 WeakPolarHBondContact O-CE2 3.27Å; E619-F622 WeakPolarHBondContact O-CZ 3.44Å; F622-T624 PolarHBondContact O-N 3.49Å; F622-L748 HydrophobicContact CD2-CD1 4.32Å; F622-L748 HydrophobicContact CD2-CD2 4.46Å; F622-L748 HydrophobicContact CE1-CD2 4.48Å; F622-L748 HydrophobicContact CE2-CD1 3.73Å; F622-L748 HydrophobicContact CE2-CD2 3.3Å; F622-L748 HydrophobicContact CE2-CG 4.17Å; F622-L748 HydrophobicContact CZ-CD2 3.3Å; F622-V761 HydrophobicContact CE1-CB 4.23Å; F622-V761 HydrophobicContact CE1-CG1 3.83Å; F622-V761 HydrophobicContact CZ-CB 4.39Å; F622-V761 HydrophobicContact CZ-CG1 3.75Å; F622-H763 HydrophobicContact CB-CB 3.82Å; F622-H763 HydrophobicContact CD1-CB 3.33Å; F622-H763 HydrophobicContact CD2-CB 4.12Å; F622-H763 HydrophobicContact CE1-CB 3.91Å; F622-H763 HydrophobicContact CG-CB 3.45Å; F622-H763 VanDerWaalsContact CG-CB 3.45Å
623	Q	95.6	Very high	97.8	Very high	56 Å²	56	24.7 Å²	24.7	26%	0.262	12%	0.117	S	C	.	.			trans	-78.7	111.3	173.4	-68.5	172.8	7.8	0	0	108.8	T621 E625 W626	T621-Q623 PolarHBondContact O-N 3.35Å; T621-Q623 PolarHBondContact OG1-N 2.83Å; Q623-E625 HydrophobicContact CB-CG 4.44Å; Q623-E625 PolarHBondContact O-N 3.46Å; Q623-E625 VanDerWaalsContact O-N 3.13Å; Q623-W626 PolarHBondContact O-N 2.84Å
624	T	95.1	Very high	97.8	Very high	52 Å²	52	24.7 Å²	24.7	32%	0.319	12%	0.117	S	C	.	.	H	α-helix	trans	-66.6	-15.4	-170.8	57.4	0	0	0	0	114.5	F622 W626 L627 R628 F771	F622-T624 PolarHBondContact O-N 3.49Å; T624-W626 VanDerWaalsContact C-N 3.3Å; T624-W626 PolarHBondContact O-N 3.49Å; T624-L627 PolarHBondContact O-N 3.29Å; T624-R628 PolarHBondContact O-N 2.86Å; T624-F771 HydrophobicContact CG2-CB 4.27Å
625	E	97.1	Very high	97.8	Very high	88 Å²	88	26.9 Å²	26.9	41%	0.411	14%	0.135	S	C	.	.	H	α-helix	trans	-63.9	-34.1	176	67.4	-168.8	141.5	0	0	113	Q623 R628 W629	Q623-E625 HydrophobicContact CB-CG 4.44Å; Q623-E625 PolarHBondContact O-N 3.46Å; Q623-E625 VanDerWaalsContact O-N 3.13Å; E625-R628 PolarHBondContact O-N 3.07Å; E625-W629 WeakPolarHBondContact O-CB 3.3Å; E625-W629 PolarHBondContact O-N 3.36Å
626	W	98.4	Very high	97.7	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-68.9	-43.1	177.4	-53.5	122.7	0	0	0	111.4	V563 N567 L614 L617 Q623 T624 R628 W629 A630	V563-W626 HydrophobicContact CG1-CZ2 4.15Å; N567-W626 WeakPolarHBondContact OD1-CH2 3.41Å; L614-W626 HydrophobicContact CD2-CB 4.34Å; L614-W626 HydrophobicContact CD2-CD2 4.43Å; L614-W626 HydrophobicContact CD2-CE3 3.67Å; L614-W626 HydrophobicContact CD2-CZ3 4.39Å; L617-W626 HydrophobicContact CD2-CB 4.46Å; L617-W626 HydrophobicContact CD2-CD2 3.41Å; L617-W626 VanDerWaalsContact CD2-CD2 3.41Å; L617-W626 VanDerWaalsContact CD2-CE2 3.47Å; L617-W626 HydrophobicContact CD2-CE3 3.91Å; L617-W626 HydrophobicContact CD2-CG 3.65Å; L617-W626 HydrophobicContact CD2-CH2 4.4Å; L617-W626 HydrophobicContact CD2-CZ2 4Å; L617-W626 HydrophobicContact CD2-CZ3 4.36Å; L617-W626 HydrophobicContact CG-CD2 4.28Å; L617-W626 HydrophobicContact CG-CG 4Å; Q623-W626 PolarHBondContact O-N 2.84Å; T624-W626 VanDerWaalsContact C-N 3.3Å; T624-W626 PolarHBondContact O-N 3.49Å; W626-R628 VanDerWaalsContact C-N 3.35Å; W626-W629 HydrophobicContact CE3-CE3 4.37Å; W626-W629 HydrophobicContact CZ3-CE3 4.44Å; W626-W629 PolarHBondContact O-N 3.3Å; W626-A630 WeakPolarHBondContact O-CB 3.11Å; W626-A630 PolarHBondContact O-N 2.81Å
627	L	98.1	Very high	97.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.6	-39.8	175.4	180	61.1	0	0	0	111.8	L615 Y618 T624 A630 E631 L685 Y688 F771 L772	L615-L627 HydrophobicContact CD2-CD1 3.64Å; Y618-L627 HydrophobicContact CD1-CB 4.41Å; Y618-L627 HydrophobicContact CD1-CD2 4.43Å; Y618-L627 HydrophobicContact CD2-CB 3.77Å; Y618-L627 HydrophobicContact CD2-CD2 4.34Å; Y618-L627 HydrophobicContact CE1-CD2 4.21Å; Y618-L627 HydrophobicContact CE2-CB 4.31Å; Y618-L627 HydrophobicContact CE2-CD2 4.09Å; Y618-L627 HydrophobicContact CG-CB 3.83Å; T624-L627 PolarHBondContact O-N 3.29Å; L627-A630 PolarHBondContact O-N 3Å; L627-E631 PolarHBondContact O-N 3.05Å; L627-L685 HydrophobicContact CD1-CD2 4.14Å; L627-Y688 HydrophobicContact CD1-CD2 3.8Å; L627-Y688 HydrophobicContact CD1-CG 3.9Å; L627-Y688 HydrophobicContact CD2-CD1 4.28Å; L627-Y688 HydrophobicContact CD2-CG 4.16Å; L627-F771 HydrophobicContact CD2-CD1 4.27Å; L627-F771 HydrophobicContact CD2-CE1 3.92Å; L627-F771 HydrophobicContact CG-CE1 3.99Å; L627-L772 HydrophobicContact CD2-CD2 3.5Å; L627-L772 VanDerWaalsContact CD2-CD2 3.5Å
628	R	97.9	Very high	97.6	Very high	117 Å²	117	30.7 Å²	30.7	44%	0.442	15%	0.15	S	C	.	.	H	α-helix	trans	-61.3	-46.1	175.1	-175.4	-176.6	-58.7	166.4	4.4	111.3	T624 E625 W626 A630 E631 E632 F771	T624-R628 PolarHBondContact O-N 2.86Å; E625-R628 PolarHBondContact O-N 3.07Å; W626-R628 VanDerWaalsContact C-N 3.35Å; R628-A630 VanDerWaalsContact C-N 3.34Å; R628-E631 WeakPolarHBondContact O-CB 3.46Å; R628-E631 PolarHBondContact O-N 2.97Å; R628-E632 WeakPolarHBondContact O-CG 2.93Å; R628-E632 PolarHBondContact O-N 3.48Å; R628-F771 HydrophobicContact CB-CE2 4.21Å; R628-F771 HydrophobicContact CB-CZ 4.1Å; R628-F771 HydrophobicContact CG-CE2 4.16Å; R628-F771 HydrophobicContact CG-CZ 4.39Å
629	W	98.4	Very high	97.4	Very high	3 Å²	3	34.4 Å²	34.4	1%	0.011	18%	0.18	C	C	.	.	H	α-helix	trans	-68.2	-35.1	179.4	-169	35.5	0	0	0	111.9	L569 K570 W574 M581 V610 L614 E625 W626 E631 E632 L633	L569-W629 HydrophobicContact CB-CH2 3.85Å; L569-W629 HydrophobicContact CB-CZ3 4.28Å; K570-W629 VanDerWaalsContact CA-CH2 3.41Å; K570-W629 HydrophobicContact CB-CE3 4.3Å; K570-W629 HydrophobicContact CB-CH2 3.56Å; K570-W629 HydrophobicContact CB-CZ2 3.96Å; K570-W629 HydrophobicContact CB-CZ3 3.72Å; K570-W629 HydrophobicContact CD-CD2 4.34Å; K570-W629 HydrophobicContact CD-CE3 4.28Å; K570-W629 HydrophobicContact CG-CD2 4.4Å; K570-W629 HydrophobicContact CG-CE3 4.42Å; K570-W629 HydrophobicContact CG-CH2 4.12Å; K570-W629 HydrophobicContact CG-CZ2 4.04Å; K570-W629 HydrophobicContact CG-CZ3 4.29Å; W574-W629 HydrophobicContact CB-CZ2 4.2Å; W574-W629 HydrophobicContact CG-CZ2 4.44Å; M581-W629 HydrophobicContact SD-CZ2 4.42Å; V610-W629 HydrophobicContact CG1-CH2 4.45Å; L614-W629 HydrophobicContact CD1-CB 4.38Å; L614-W629 HydrophobicContact CD1-CD2 3.82Å; L614-W629 HydrophobicContact CD1-CE3 3.42Å; L614-W629 VanDerWaalsContact CD1-CE3 3.42Å; L614-W629 HydrophobicContact CD1-CG 4.27Å; L614-W629 HydrophobicContact CD1-CZ3 3.9Å; L614-W629 HydrophobicContact CD2-CE3 3.53Å; L614-W629 HydrophobicContact CD2-CZ3 3.76Å; L614-W629 HydrophobicContact CG-CE3 4.1Å; L614-W629 HydrophobicContact CG-CZ3 4.35Å; E625-W629 WeakPolarHBondContact O-CB 3.3Å; E625-W629 PolarHBondContact O-N 3.36Å; W626-W629 HydrophobicContact CE3-CE3 4.37Å; W626-W629 HydrophobicContact CZ3-CE3 4.44Å; W626-W629 PolarHBondContact O-N 3.3Å; W629-E631 PolarHBondContact O-N 2.87Å; W629-E632 PolarHBondContact O-N 3.41Å; W629-L633 HydrophobicContact CD2-CD1 4.17Å; W629-L633 HydrophobicContact CH2-CD1 4.49Å; W629-L633 HydrophobicContact CZ2-CD1 3.93Å; W629-L633 WeakPolarHBondContact O-CB 3.28Å; W629-L633 WeakPolarHBondContact O-CG 3.37Å; W629-L633 PolarHBondContact O-N 3.42Å
630	A	98.7	Very high	97.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60	-42.1	170.5	0	0	0	0	0	112.4	V611 L614 L615 W626 L627 R628 Q634 L685	V611-A630 HydrophobicContact CG1-CB 4.34Å; L614-A630 HydrophobicContact CB-CB 3.94Å; L614-A630 HydrophobicContact CD1-CB 4.33Å; L615-A630 HydrophobicContact CD2-CB 4.05Å; L615-A630 HydrophobicContact CG-CB 4.27Å; W626-A630 WeakPolarHBondContact O-CB 3.11Å; W626-A630 PolarHBondContact O-N 2.81Å; L627-A630 PolarHBondContact O-N 3Å; R628-A630 VanDerWaalsContact C-N 3.34Å; A630-Q634 WeakPolarHBondContact O-CB 3.44Å; A630-Q634 PolarHBondContact O-N 3.37Å; A630-L685 HydrophobicContact CB-CD2 4.43Å
631	E	97.8	Very high	97.2	Very high	14 Å²	14	33.3 Å²	33.3	7%	0.065	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-43.4	173.4	156	171	177.4	0	0	111.8	L627 R628 W629 A635 R691 W694 F771 R775	L627-E631 PolarHBondContact O-N 3.05Å; R628-E631 WeakPolarHBondContact O-CB 3.46Å; R628-E631 PolarHBondContact O-N 2.97Å; W629-E631 PolarHBondContact O-N 2.87Å; E631-A635 WeakPolarHBondContact O-CB 3.21Å; E631-A635 PolarHBondContact O-N 3.07Å; E631-A635 VanDerWaalsContact O-N 3.1Å; E631-R691 IonicContact OE1-CZ 3.8Å; E631-R691 IonicContact OE1-NH1 2.85Å; E631-R691 PolarHBondContact OE1-NH1 3.06Å; E631-R691 IonicContact OE1-NH2 3.5Å; E631-R691 PolarHBondContact OE1-NH2 2.89Å; E631-W694 HydrophobicContact CB-CH2 3.92Å; E631-W694 HydrophobicContact CG-CH2 3.77Å; E631-F771 WeakPolarHBondContact OE2-CZ 3.4Å; E631-R775 IonicContact OE1-CZ 3.51Å; E631-R775 IonicContact OE1-NE 2.99Å; E631-R775 IonicContact OE1-NH2 3.32Å; E631-R775 PolarHBondContact OE1-NH2 2.99Å; E631-R775 IonicContact OE2-CZ 3.6Å; E631-R775 IonicContact OE2-NE 3.68Å; E631-R775 PolarHBondContact OE2-NE 2.92Å; E631-R775 VanDerWaalsContact OE2-NE 3.16Å; E631-R775 IonicContact OE2-NH2 3.47Å
632	E	97.8	Very high	97.2	Very high	99 Å²	99	34 Å²	34	46%	0.463	18%	0.175	S	C	.	.	H	α-helix	trans	-64.9	-46.3	177.8	-70.6	169.9	-169.3	0	0	112.1	R628 W629 A635 R636	R628-E632 WeakPolarHBondContact O-CG 2.93Å; R628-E632 PolarHBondContact O-N 3.48Å; W629-E632 PolarHBondContact O-N 3.41Å; E632-A635 PolarHBondContact O-N 2.78Å; E632-R636 PolarHBondContact O-N 2.9Å
633	L	98.6	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.7	-39.4	178.8	-71	-177.1	0	0	0	112.2	W574 M581 Y607 V610 V611 L614 W629 R636 Q637	W574-L633 HydrophobicContact CE3-CD2 3.69Å; W574-L633 HydrophobicContact CH2-CD2 4.06Å; W574-L633 HydrophobicContact CZ3-CD2 3.39Å; M581-L633 HydrophobicContact CG-CD2 4.06Å; M581-L633 HydrophobicContact SD-CD1 4.29Å; M581-L633 HydrophobicContact SD-CD2 3.96Å; Y607-L633 HydrophobicContact CD1-CB 4.39Å; Y607-L633 HydrophobicContact CD1-CD2 4.27Å; Y607-L633 HydrophobicContact CE1-CD2 4.18Å; V610-L633 HydrophobicContact CB-CD1 4.48Å; V610-L633 HydrophobicContact CG1-CD1 3.64Å; V611-L633 HydrophobicContact CG2-CB 3.66Å; L614-L633 HydrophobicContact CD1-CD1 3.79Å; W629-L633 HydrophobicContact CD2-CD1 4.17Å; W629-L633 HydrophobicContact CH2-CD1 4.49Å; W629-L633 HydrophobicContact CZ2-CD1 3.93Å; W629-L633 WeakPolarHBondContact O-CB 3.28Å; W629-L633 WeakPolarHBondContact O-CG 3.37Å; W629-L633 PolarHBondContact O-N 3.42Å; L633-R636 PolarHBondContact O-N 3.33Å; L633-Q637 WeakPolarHBondContact O-CB 3.43Å; L633-Q637 PolarHBondContact O-N 3.45Å
634	Q	98.7	Very high	97	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-43.6	175.1	-177.1	65.5	63.4	0	0	111.5	A630 R636 Q637 D638 Y649 L682 L685 W694	A630-Q634 WeakPolarHBondContact O-CB 3.44Å; A630-Q634 PolarHBondContact O-N 3.37Å; Q634-R636 VanDerWaalsContact C-N 3.26Å; Q634-R636 PolarHBondContact O-N 2.92Å; Q634-Q637 WeakPolarHBondContact O-CB 3.34Å; Q634-Q637 PolarHBondContact O-N 3.3Å; Q634-D638 PolarHBondContact NE2-OD1 2.82Å; Q634-D638 VanDerWaalsContact NE2-OD1 3.09Å; Q634-D638 VanDerWaalsContact O-CG 3.24Å; Q634-D638 PolarHBondContact O-N 3.32Å; Q634-Y649 PolarHBondContact NE2-OH 3.41Å; Q634-L682 HydrophobicContact CG-CD2 4.08Å; Q634-L685 HydrophobicContact CB-CD1 3.47Å; Q634-L685 VanDerWaalsContact CB-CD1 3.47Å; Q634-L685 HydrophobicContact CG-CD1 3.55Å; Q634-W694 HydrophobicContact CB-CZ2 4.14Å; Q634-W694 HydrophobicContact CG-CZ2 4Å
635	A	97.9	Very high	96.6	Very high	46 Å²	46	44 Å²	44	38%	0.38	22%	0.224	S	C	.	.	H	α-helix	trans	-62	-37.1	176.2	0	0	0	0	0	111.7	E631 E632 D638 A639	E631-A635 WeakPolarHBondContact O-CB 3.21Å; E631-A635 PolarHBondContact O-N 3.07Å; E631-A635 VanDerWaalsContact O-N 3.1Å; E632-A635 PolarHBondContact O-N 2.78Å; A635-D638 PolarHBondContact O-N 3.03Å; A635-A639 PolarHBondContact O-N 3.08Å; A635-A639 VanDerWaalsContact O-N 3.1Å
636	R	97.6	Very high	96.1	Very high	77 Å²	77	39.9 Å²	39.9	29%	0.291	21%	0.206	S	C	.	.	H	α-helix	trans	-68.9	-42.3	174.3	-172.2	54.1	163.6	163.3	-4.1	112.2	Q578 Q579 Y607 E632 L633 Q634 D638 A639 L640	Q578-R636 PolarHBondContact O-NH2 3.37Å; Q579-R636 WeakPolarHBondContact O-CD 3.17Å; Q579-R636 WeakPolarHBondContact O-CG 3.37Å; Q579-R636 PolarHBondContact O-NE 3.3Å; Y607-R636 HydrophobicContact CE1-CB 4.02Å; Y607-R636 HydrophobicContact CE1-CG 3.76Å; E632-R636 PolarHBondContact O-N 2.9Å; L633-R636 PolarHBondContact O-N 3.33Å; Q634-R636 VanDerWaalsContact C-N 3.26Å; Q634-R636 PolarHBondContact O-N 2.92Å; R636-D638 VanDerWaalsContact C-N 3.29Å; R636-D638 PolarHBondContact O-N 3.25Å; R636-A639 PolarHBondContact O-N 3.1Å; R636-A639 VanDerWaalsContact O-N 3.14Å; R636-L640 HydrophobicContact CG-CD1 3.87Å; R636-L640 HydrophobicContact CG-CG 4.32Å; R636-L640 WeakPolarHBondContact O-CG 3.38Å; R636-L640 PolarHBondContact O-N 3.03Å
637	Q	97.9	Very high	95.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.4	-44.7	173.7	-172.8	-172.8	-63.6	0	0	111.2	L604 Y607 L633 Q634 A639 L640 F641 Y649 S678	L604-Q637 HydrophobicContact CD1-CG 3.71Å; Y607-Q637 HydrophobicContact CD1-CB 4.19Å; Y607-Q637 HydrophobicContact CG-CB 4.21Å; Y607-Q637 HydrophobicContact CG-CG 4.48Å; L633-Q637 WeakPolarHBondContact O-CB 3.43Å; L633-Q637 PolarHBondContact O-N 3.45Å; Q634-Q637 WeakPolarHBondContact O-CB 3.34Å; Q634-Q637 PolarHBondContact O-N 3.3Å; Q637-A639 VanDerWaalsContact C-N 3.35Å; Q637-A639 PolarHBondContact O-N 3.46Å; Q637-L640 PolarHBondContact O-N 3.1Å; Q637-F641 HydrophobicContact CG-CD2 3.94Å; Q637-F641 PolarHBondContact O-N 3.14Å; Q637-Y649 HydrophobicContact CG-CD1 4.24Å; Q637-Y649 HydrophobicContact CG-CE1 4.05Å; Q637-S678 PolarHBondContact NE2-OG 2.83Å
638	D	97.4	Very high	95.8	Very high	18 Å²	18	40.2 Å²	40.2	10%	0.096	21%	0.209	C	C	.	.	H	α-helix	trans	-59	-45	175.2	-68.2	-12.2	0	0	0	111.7	Q634 A635 R636 L640 W642 Y649 W694 K697	Q634-D638 PolarHBondContact NE2-OD1 2.82Å; Q634-D638 VanDerWaalsContact NE2-OD1 3.09Å; Q634-D638 VanDerWaalsContact O-CG 3.24Å; Q634-D638 PolarHBondContact O-N 3.32Å; A635-D638 PolarHBondContact O-N 3.03Å; R636-D638 VanDerWaalsContact C-N 3.29Å; R636-D638 PolarHBondContact O-N 3.25Å; D638-L640 PolarHBondContact O-N 2.99Å; D638-W642 WeakPolarHBondContact O-CB 3.28Å; D638-W642 PolarHBondContact O-N 3Å; D638-Y649 VanDerWaalsContact OD1-CE1 3.31Å; D638-Y649 WeakPolarHBondContact OD1-CE1 3.42Å; D638-Y649 VanDerWaalsContact OD1-CZ 3.31Å; D638-Y649 PolarHBondContact OD1-OH 3.22Å; D638-W694 PolarHBondContact OD2-NE1 3.22Å; D638-W694 VanDerWaalsContact OD2-NE1 3.1Å; D638-K697 IonicContact OD2-NZ 3.79Å
639	A	95.9	Very high	95.7	Very high	78 Å²	78	34.6 Å²	34.6	65%	0.645	19%	0.188	S	C	*	.	H	α-helix	trans	-66.9	-34.5	-179.8	0	0	0	0	0	113.5	A635 R636 Q637	A635-A639 PolarHBondContact O-N 3.08Å; A635-A639 VanDerWaalsContact O-N 3.1Å; R636-A639 PolarHBondContact O-N 3.1Å; R636-A639 VanDerWaalsContact O-N 3.14Å; Q637-A639 VanDerWaalsContact C-N 3.35Å; Q637-A639 PolarHBondContact O-N 3.46Å
640	L	94.6	Very high	95.6	Very high	21 Å²	21	36.2 Å²	36.2	11%	0.11	20%	0.195	C	C	.	.	H	α-helix	trans	-88.3	-40.7	-173.6	-67.3	177.4	0	0	0	113.3	Y607 R636 Q637 D638 E653	Y607-L640 HydrophobicContact CE2-CD1 4.17Å; Y607-L640 VanDerWaalsContact OH-CD1 3.3Å; Y607-L640 WeakPolarHBondContact OH-CD1 3.49Å; R636-L640 HydrophobicContact CG-CD1 3.87Å; R636-L640 HydrophobicContact CG-CG 4.32Å; R636-L640 WeakPolarHBondContact O-CG 3.38Å; R636-L640 PolarHBondContact O-N 3.03Å; Q637-L640 PolarHBondContact O-N 3.1Å; D638-L640 PolarHBondContact O-N 2.99Å; L640-E653 HydrophobicContact CB-CG 4.35Å; L640-E653 HydrophobicContact CD2-CG 4.37Å
641	F	95.9	Very high	95.3	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-118.6	-17.1	-163	-56.5	-66.6	0	0	0	114.6	L604 Y607 Q637 D643 Y649 F650 E653	L604-F641 HydrophobicContact CB-CG 4.36Å; L604-F641 HydrophobicContact CD1-CB 4.05Å; L604-F641 HydrophobicContact CD1-CD2 4.12Å; L604-F641 HydrophobicContact CD1-CG 4.2Å; Y607-F641 AromaticContact CD2-CE2 3.57Å; Y607-F641 HydrophobicContact CD2-CE2 3.57Å; Y607-F641 HydrophobicContact CD2-CZ 4.23Å; Y607-F641 AromaticContact CE2-CE2 3.65Å; Y607-F641 HydrophobicContact CE2-CE2 3.65Å; Y607-F641 HydrophobicContact CE2-CZ 4.05Å; Y607-F641 HydrophobicContact CG-CE2 4.32Å; Q637-F641 HydrophobicContact CG-CD2 3.94Å; Q637-F641 PolarHBondContact O-N 3.14Å; F641-D643 PolarHBondContact O-N 2.99Å; F641-Y649 HydrophobicContact CB-CD1 3.9Å; F641-Y649 WeakPolarHBondContact O-CA 3.39Å; F641-F650 WeakPolarHBondContact CB-O 3.31Å; F641-F650 WeakPolarHBondContact CD1-O 3.39Å; F641-F650 PolarHBondContact O-N 3.2Å; F641-E653 HydrophobicContact CD1-CG 4.48Å; F641-E653 HydrophobicContact CE1-CG 3.81Å; F641-E653 HydrophobicContact CZ-CG 4.3Å
642	W	96.6	Very high	94.9	Very high	21 Å²	21	36.2 Å²	36.2	8%	0.08	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-63.9	132.7	-175.8	-174	-104.2	0	0	0	112.1	D638 N644 Y649 K697 Q700 L701	D638-W642 WeakPolarHBondContact O-CB 3.28Å; D638-W642 PolarHBondContact O-N 3Å; W642-N644 PolarHBondContact O-N 3.23Å; W642-Y649 HydrophobicContact CB-CD1 4.22Å; W642-Y649 HydrophobicContact CB-CE1 4.15Å; W642-Y649 HydrophobicContact CD2-CE1 4.42Å; W642-Y649 AromaticContact CE3-CD1 3.88Å; W642-Y649 HydrophobicContact CE3-CD1 3.88Å; W642-Y649 HydrophobicContact CE3-CD2 4.05Å; W642-Y649 AromaticContact CE3-CE1 3.54Å; W642-Y649 HydrophobicContact CE3-CE1 3.54Å; W642-Y649 AromaticContact CE3-CE2 3.68Å; W642-Y649 HydrophobicContact CE3-CE2 3.68Å; W642-Y649 HydrophobicContact CE3-CG 4.12Å; W642-Y649 AromaticContact CE3-CZ 3.38Å; W642-Y649 HydrophobicContact CZ3-CD2 4.14Å; W642-Y649 HydrophobicContact CZ3-CE1 4.34Å; W642-Y649 AromaticContact CZ3-CE2 3.64Å; W642-Y649 HydrophobicContact CZ3-CE2 3.64Å; W642-Y649 AromaticContact CZ3-CZ 3.73Å; W642-K697 HydrophobicContact CH2-CB 3.96Å; W642-K697 HydrophobicContact CH2-CG 4.12Å; W642-K697 VanDerWaalsContact CH2-O 3.31Å; W642-K697 WeakPolarHBondContact CH2-O 3.21Å; W642-K697 HydrophobicContact CZ2-CB 4.36Å; W642-K697 HydrophobicContact CZ2-CG 4.03Å; W642-K697 HydrophobicContact CZ3-CB 4.31Å; W642-Q700 HydrophobicContact CH2-CB 4.07Å; W642-Q700 HydrophobicContact CZ2-CB 4.03Å; W642-L701 HydrophobicContact CH2-CB 4.21Å; W642-L701 HydrophobicContact CZ3-CB 4.21Å
643	D	94.8	Very high	94.2	Very high	23 Å²	23	33.8 Å²	33.8	12%	0.123	19%	0.185	C	C	.	.			trans	-86.7	101.9	171.4	-176.1	7	0	0	0	110.9	F641 Q645 G646 G647 G648 F650 K664	F641-D643 PolarHBondContact O-N 2.99Å; D643-Q645 PolarHBondContact O-N 3.11Å; D643-Q645 PolarHBondContact OD1-N 3.45Å; D643-G646 VanDerWaalsContact CG-N 3.31Å; D643-G646 PolarHBondContact OD1-N 3.09Å; D643-G646 WeakPolarHBondContact OD2-CA 3.19Å; D643-G646 PolarHBondContact OD2-N 3.1Å; D643-G646 VanDerWaalsContact OD2-N 3.17Å; D643-G647 WeakPolarHBondContact O-CA 3.35Å; D643-G647 PolarHBondContact O-N 3.44Å; D643-G648 PolarHBondContact N-O 2.85Å; D643-F650 HydrophobicContact CB-CD2 4.06Å; D643-F650 HydrophobicContact CB-CE2 3.45Å; D643-F650 VanDerWaalsContact CB-CE2 3.45Å; D643-F650 HydrophobicContact CB-CZ 4.02Å; D643-K664 WeakPolarHBondContact OD2-CE 3.49Å; D643-K664 IonicContact OD2-NZ 3.91Å; D643-K664 PolarHBondContact OD2-NZ 3.16Å
644	N	91.1	Very high	93.1	Very high	141 Å²	141	38.1 Å²	38.1	75%	0.754	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.3	177.5	-67.5	-63.1	0	0	0	114.2	W642	W642-N644 PolarHBondContact O-N 3.23Å
645	Q	87.6	Confident	91.7	Very high	175 Å²	175	42.7 Å²	42.7	82%	0.818	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-49.5	178.9	-63.9	-65.4	-31.4	0	0	111.3	D643	D643-Q645 PolarHBondContact O-N 3.11Å; D643-Q645 PolarHBondContact OD1-N 3.45Å
646	G	86.8	Confident	90.6	Very high	3 Å²	3	43.3 Å²	43.3	3%	0.031	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-1.9	-171.1	0	0	0	0	0	116.7	T259 A260 D643 A704	T259-G646 CarbonylContact C-O 3.54Å; T259-G646 WeakPolarHBondContact CA-O 3.45Å; T259-G646 WeakPolarHBondContact OG1-CA 3.42Å; A260-G646 PolarHBondContact N-O 3.3Å; D643-G646 VanDerWaalsContact CG-N 3.31Å; D643-G646 PolarHBondContact OD1-N 3.09Å; D643-G646 WeakPolarHBondContact OD2-CA 3.19Å; D643-G646 PolarHBondContact OD2-N 3.1Å; D643-G646 VanDerWaalsContact OD2-N 3.17Å; G646-A704 VanDerWaalsContact O-CB 3.31Å; G646-A704 WeakPolarHBondContact O-CB 3.47Å
647	G	93.3	Very high	89.5	Confident	7 Å²	7	44.1 Å²	44.1	7%	0.072	27%	0.265	C	S	.	.			trans	71.9	165.6	-175.5	0	0	0	0	0	113.8	D643 K664	D643-G647 WeakPolarHBondContact O-CA 3.35Å; D643-G647 PolarHBondContact O-N 3.44Å; G647-K664 WeakPolarHBondContact O-CE 3.37Å; G647-K664 PolarHBondContact O-NZ 2.95Å
648	G	95.5	Very high	88.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	72.6	-177	-171.9	0	0	0	0	0	113	D643	D643-G648 PolarHBondContact N-O 2.85Å
649	Y	96.8	Very high	87.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-120.2	135.1	-171	-60.4	-89.9	0	0	0	112.1	L604 Q634 Q637 D638 F641 W642 K664 N675 L682 L701	L604-Y649 HydrophobicContact CD1-CD1 4.06Å; L604-Y649 HydrophobicContact CD1-CD2 4.47Å; L604-Y649 HydrophobicContact CD1-CG 3.8Å; L604-Y649 VanDerWaalsContact CD2-CB 3.43Å; L604-Y649 HydrophobicContact CD2-CG 4.46Å; Q634-Y649 PolarHBondContact NE2-OH 3.41Å; Q637-Y649 HydrophobicContact CG-CD1 4.24Å; Q637-Y649 HydrophobicContact CG-CE1 4.05Å; D638-Y649 VanDerWaalsContact OD1-CE1 3.31Å; D638-Y649 WeakPolarHBondContact OD1-CE1 3.42Å; D638-Y649 VanDerWaalsContact OD1-CZ 3.31Å; D638-Y649 PolarHBondContact OD1-OH 3.22Å; F641-Y649 HydrophobicContact CB-CD1 3.9Å; F641-Y649 WeakPolarHBondContact O-CA 3.39Å; W642-Y649 HydrophobicContact CB-CD1 4.22Å; W642-Y649 HydrophobicContact CB-CE1 4.15Å; W642-Y649 HydrophobicContact CD2-CE1 4.42Å; W642-Y649 AromaticContact CE3-CD1 3.88Å; W642-Y649 HydrophobicContact CE3-CD1 3.88Å; W642-Y649 HydrophobicContact CE3-CD2 4.05Å; W642-Y649 AromaticContact CE3-CE1 3.54Å; W642-Y649 HydrophobicContact CE3-CE1 3.54Å; W642-Y649 AromaticContact CE3-CE2 3.68Å; W642-Y649 HydrophobicContact CE3-CE2 3.68Å; W642-Y649 HydrophobicContact CE3-CG 4.12Å; W642-Y649 AromaticContact CE3-CZ 3.38Å; W642-Y649 HydrophobicContact CZ3-CD2 4.14Å; W642-Y649 HydrophobicContact CZ3-CE1 4.34Å; W642-Y649 AromaticContact CZ3-CE2 3.64Å; W642-Y649 HydrophobicContact CZ3-CE2 3.64Å; W642-Y649 AromaticContact CZ3-CZ 3.73Å; Y649-K664 WeakPolarHBondContact O-CG 3.39Å; Y649-N675 PolarHBondContact N-OD1 2.91Å; Y649-N675 PolarHBondContact O-ND2 3.08Å; Y649-L682 HydrophobicContact CE2-CD1 4.17Å; Y649-L701 HydrophobicContact CD2-CD1 3.58Å; Y649-L701 HydrophobicContact CE2-CD1 3.53Å
650	F	95.3	Very high	87.1	Confident	36 Å²	36	43.1 Å²	43.1	16%	0.158	25%	0.251	C	S	.	.			trans	-74.1	145.3	167.7	-66.7	-73.3	0	0	0	110.9	F641 D643 S652 R662 L663 K664	F641-F650 WeakPolarHBondContact CB-O 3.31Å; F641-F650 WeakPolarHBondContact CD1-O 3.39Å; F641-F650 PolarHBondContact O-N 3.2Å; D643-F650 HydrophobicContact CB-CD2 4.06Å; D643-F650 HydrophobicContact CB-CE2 3.45Å; D643-F650 VanDerWaalsContact CB-CE2 3.45Å; D643-F650 HydrophobicContact CB-CZ 4.02Å; F650-S652 PolarHBondContact O-N 3.24Å; F650-R662 HydrophobicContact CB-CB 4.43Å; F650-R662 HydrophobicContact CD1-CB 3.64Å; F650-R662 VanDerWaalsContact CD2-CZ 3.45Å; F650-R662 HydrophobicContact CE1-CB 4.15Å; F650-R662 HydrophobicContact CG-CB 4.18Å; F650-L663 CarbonylContact C-O 3.54Å; F650-L663 WeakPolarHBondContact CA-O 3.31Å; F650-K664 HydrophobicContact CD1-CG 3.96Å; F650-K664 HydrophobicContact CE1-CG 4.24Å
651	C	92.9	Very high	86.7	Confident	8 Å²	8	42.9 Å²	42.9	5%	0.054	25%	0.25	C	C	.	.	S	Bend	trans	-63.3	-28.5	178.8	-63.8	0	0	0	0	113.5	F603 L604 L663	F603-C651 WeakPolarHBondContact CB-O 3.45Å; L604-C651 PolarHBondContact N-O 3.42Å; L604-C651 VanDerWaalsContact N-O 3.15Å; C651-L663 PolarHBondContact N-O 3.37Å; C651-L663 PolarHBondContact SG-O 2.94Å; C651-L663 VanDerWaalsContact SG-O 3.33Å
652	S	90.3	Very high	86.3	Confident	7 Å²	7	46.1 Å²	46.1	5%	0.049	26%	0.262	C	S	.	.	S	Bend	trans	-134.6	159.5	-175.1	59.7	0	0	0	0	112.8	F650 R662	F650-S652 PolarHBondContact O-N 3.24Å; S652-R662 PolarHBondContact O-NE 3.17Å; S652-R662 PolarHBondContact O-NH2 3.05Å
653	E	83.4	Confident	86	Confident	48 Å²	48	45.8 Å²	45.8	22%	0.224	26%	0.261	C	S	.	.			trans	-66.6	155.2	174.9	-75.9	-168.4	-142.4	0	0	112.4	L640 F641 S655	L640-E653 HydrophobicContact CB-CG 4.35Å; L640-E653 HydrophobicContact CD2-CG 4.37Å; F641-E653 HydrophobicContact CD1-CG 4.48Å; F641-E653 HydrophobicContact CE1-CG 3.81Å; F641-E653 HydrophobicContact CZ-CG 4.3Å; E653-S655 VanDerWaalsContact C-N 3.25Å; E653-S655 PolarHBondContact O-N 2.94Å
654	P	75	Confident	86	Confident	90 Å²	90	45 Å²	45	58%	0.584	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-11.5	-179.9	27.6	-33.2	0	0	0	115.2
655	S	69.3	Low	85.9	Confident	96 Å²	96	40.8 Å²	40.8	67%	0.671	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-17.3	-167.5	51.3	0	0	0	0	114.8	E653 A657	E653-S655 VanDerWaalsContact C-N 3.25Å; E653-S655 PolarHBondContact O-N 2.94Å; S655-A657 PolarHBondContact O-N 3.39Å
656	D	75.6	Confident	85.9	Confident	59 Å²	59	35.4 Å²	35.4	32%	0.316	21%	0.21	S	C	.	.			trans	-85.4	98.9	179.7	-166.9	-11.1	0	0	0	111.7	R173 A658 V659	R173-D656 IonicContact CZ-OD2 3.4Å; R173-D656 IonicContact NH1-OD2 2.84Å; R173-D656 IonicContact NH2-OD2 3.15Å; R173-D656 PolarHBondContact NH2-OD2 3.42Å; D656-A658 PolarHBondContact O-N 3.06Å; D656-A658 WeakPolarHBondContact OD1-CB 3.34Å; D656-A658 PolarHBondContact OD1-N 2.75Å; D656-V659 HydrophobicContact CB-CG2 4.17Å; D656-V659 PolarHBondContact O-N 2.77Å; D656-V659 VanDerWaalsContact O-N 3.14Å
657	A	72.8	Confident	86.1	Confident	95 Å²	95	39.7 Å²	39.7	79%	0.785	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.3	177.1	0	0	0	0	0	113.9	S655 V659	S655-A657 PolarHBondContact O-N 3.39Å; A657-V659 VanDerWaalsContact C-N 3.3Å
658	A	78.9	Confident	86.1	Confident	11 Å²	11	40 Å²	40	9%	0.091	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-17.1	175.6	0	0	0	0	0	112.6	W115 F120 L203 D656 L660	W115-A658 HydrophobicContact CZ2-CB 4.02Å; F120-A658 HydrophobicContact CE2-CB 3.74Å; F120-A658 HydrophobicContact CZ-CB 4.22Å; L203-A658 HydrophobicContact CD1-CB 3.95Å; L203-A658 WeakPolarHBondContact CD1-O 3.43Å; D656-A658 PolarHBondContact O-N 3.06Å; D656-A658 WeakPolarHBondContact OD1-CB 3.34Å; D656-A658 PolarHBondContact OD1-N 2.75Å; A658-L660 PolarHBondContact O-N 2.87Å
659	V	81.9	Confident	85.6	Confident	17 Å²	17	41.5 Å²	41.5	10%	0.103	24%	0.244	C	C	.	.			trans	-92.7	98.1	176.9	-177.2	0	0	0	0	109.2	D175 V176 V179 D656 A657 L661	D175-V659 HydrophobicContact CB-CG2 4.49Å; D175-V659 VanDerWaalsContact OD2-CG2 3.29Å; D175-V659 WeakPolarHBondContact OD2-CG2 3.43Å; V176-V659 HydrophobicContact CG2-CG2 4.43Å; V179-V659 HydrophobicContact CG2-CG1 4.12Å; D656-V659 HydrophobicContact CB-CG2 4.17Å; D656-V659 PolarHBondContact O-N 2.77Å; D656-V659 VanDerWaalsContact O-N 3.14Å; A657-V659 VanDerWaalsContact C-N 3.3Å; V659-L661 WeakPolarHBondContact CG1-O 3.48Å; V659-L661 PolarHBondContact O-N 3.09Å; V659-L661 VanDerWaalsContact O-N 3.12Å
660	L	81.5	Confident	85.2	Confident	47 Å²	47	43 Å²	43	25%	0.246	26%	0.257	C	S	.	.	S	Bend	trans	-63.2	-20.4	-174.3	-64.6	-175.5	0	0	0	114.8	L203 R204 I249 A658	L203-L660 VanDerWaalsContact C-CD1 3.47Å; L203-L660 HydrophobicContact CB-CD1 4.1Å; L203-L660 HydrophobicContact CB-CD2 4.42Å; L203-L660 HydrophobicContact CB-CG 4.26Å; L203-L660 WeakPolarHBondContact O-CD1 3.46Å; R204-L660 HydrophobicContact CB-CD1 4.48Å; R204-L660 HydrophobicContact CG-CD1 4.07Å; I249-L660 HydrophobicContact CD1-CD1 4.26Å; I249-L660 HydrophobicContact CG1-CD1 4.42Å; A658-L660 PolarHBondContact O-N 2.87Å
661	L	84.6	Confident	85.1	Confident	15 Å²	15	42.8 Å²	42.8	8%	0.079	26%	0.256	C	S	.	.			trans	-144.7	121.2	-174.8	-179.1	55.3	0	0	0	110.4	V179 L252 K253 V659 L663	V179-L661 HydrophobicContact CG1-CB 4.24Å; V179-L661 HydrophobicContact CG2-CB 4.14Å; V179-L661 WeakPolarHBondContact CG2-O 3.06Å; L252-L661 HydrophobicContact CB-CD2 4.13Å; K253-L661 HydrophobicContact CB-CD1 4.37Å; K253-L661 HydrophobicContact CG-CD1 3.48Å; K253-L661 VanDerWaalsContact CG-CD1 3.48Å; V659-L661 WeakPolarHBondContact CG1-O 3.48Å; V659-L661 PolarHBondContact O-N 3.09Å; V659-L661 VanDerWaalsContact O-N 3.12Å; L661-L663 HydrophobicContact CD1-CD2 4.45Å; L661-L663 HydrophobicContact CD2-CD2 3.48Å; L661-L663 VanDerWaalsContact CD2-CD2 3.48Å; L661-L663 HydrophobicContact CD2-CG 4.26Å; L661-L663 HydrophobicContact CG-CD2 3.6Å; L661-L663 HydrophobicContact CG-CG 4.03Å
662	R	87.8	Confident	85.3	Confident	70 Å²	70	42.7 Å²	42.7	26%	0.264	26%	0.256	S	S	.	.			trans	-85.3	121.3	167.9	-64.8	176.6	72.9	-151	3.4	108.7	F650 S652	F650-R662 HydrophobicContact CB-CB 4.43Å; F650-R662 HydrophobicContact CD1-CB 3.64Å; F650-R662 VanDerWaalsContact CD2-CZ 3.45Å; F650-R662 HydrophobicContact CE1-CB 4.15Å; F650-R662 HydrophobicContact CG-CB 4.18Å; S652-R662 PolarHBondContact O-NE 3.17Å; S652-R662 PolarHBondContact O-NH2 3.05Å
663	L	91.1	Very high	85.6	Confident	13 Å²	13	42.4 Å²	42.4	7%	0.068	25%	0.254	C	S	.	.			trans	-103.4	150.2	-177.3	-66.1	174.1	0	0	0	110.7	K178 V179 T256 F650 C651 L661	K178-L663 HydrophobicContact CB-CD1 4.04Å; V179-L663 HydrophobicContact CG2-CD1 4.02Å; V179-L663 HydrophobicContact CG2-CG 4.42Å; T256-L663 HydrophobicContact CG2-CD2 3.79Å; T256-L663 WeakPolarHBondContact OG1-CD2 3.42Å; F650-L663 CarbonylContact C-O 3.54Å; F650-L663 WeakPolarHBondContact CA-O 3.31Å; C651-L663 PolarHBondContact N-O 3.37Å; C651-L663 PolarHBondContact SG-O 2.94Å; C651-L663 VanDerWaalsContact SG-O 3.33Å; L661-L663 HydrophobicContact CD1-CD2 4.45Å; L661-L663 HydrophobicContact CD2-CD2 3.48Å; L661-L663 VanDerWaalsContact CD2-CD2 3.48Å; L661-L663 HydrophobicContact CD2-CG 4.26Å; L661-L663 HydrophobicContact CG-CD2 3.6Å; L661-L663 HydrophobicContact CG-CG 4.03Å
664	K	93.8	Very high	86.3	Confident	8 Å²	8	40.1 Å²	40.1	4%	0.035	24%	0.243	C	C	.	.			trans	-107	126.8	158.1	-58.1	-173.6	-171.3	152.9	0	106.2	I258 D643 G647 Y649 F650 D666 F705	I258-K664 HydrophobicContact CB-CB 4.37Å; I258-K664 HydrophobicContact CB-CD 4.16Å; I258-K664 HydrophobicContact CD1-CB 4.02Å; I258-K664 HydrophobicContact CG2-CD 4.4Å; I258-K664 PolarHBondContact O-NZ 3.23Å; D643-K664 WeakPolarHBondContact OD2-CE 3.49Å; D643-K664 IonicContact OD2-NZ 3.91Å; D643-K664 PolarHBondContact OD2-NZ 3.16Å; G647-K664 WeakPolarHBondContact O-CE 3.37Å; G647-K664 PolarHBondContact O-NZ 2.95Å; Y649-K664 WeakPolarHBondContact O-CG 3.39Å; F650-K664 HydrophobicContact CD1-CG 3.96Å; F650-K664 HydrophobicContact CE1-CG 4.24Å; K664-D666 PolarHBondContact O-N 3.12Å; K664-F705 HydrophobicContact CB-CZ 4.11Å
665	E	88.9	Confident	87.4	Confident	52 Å²	52	35.9 Å²	35.9	24%	0.243	22%	0.215	C	C	.	.			trans	-77.1	118.1	-174.6	-174.9	162	-125.9	0	0	111.4	K178 S673 F705	K178-E665 WeakPolarHBondContact CE-OE1 3.47Å; K178-E665 IonicContact NZ-OE1 3.63Å; K178-E665 PolarHBondContact NZ-OE1 3.25Å; K178-E665 IonicContact NZ-OE2 3.25Å; K178-E665 PolarHBondContact NZ-OE2 2.95Å; E665-S673 PolarHBondContact O-OG 3.39Å; E665-F705 WeakPolarHBondContact O-CE1 3.45Å
666	D	88.4	Confident	88.8	Confident	62 Å²	62	31.3 Å²	31.3	33%	0.332	18%	0.183	S	C	.	.			trans	-106.6	20.3	-174.1	77.3	-36.4	0	0	0	113.8	I258 K664 F705 R708 L716	I258-D666 HydrophobicContact CD1-CB 3.59Å; K664-D666 PolarHBondContact O-N 3.12Å; D666-F705 HydrophobicContact CB-CD1 4.48Å; D666-F705 HydrophobicContact CB-CE1 4.12Å; D666-R708 HydrophobicContact CB-CG 4.45Å; D666-R708 PolarHBondContact O-NE 3.24Å; D666-R708 PolarHBondContact O-NH2 2.94Å; D666-R708 VanDerWaalsContact O-NH2 3.14Å; D666-R708 IonicContact OD2-CZ 3.84Å; D666-R708 VanDerWaalsContact OD2-CZ 3.22Å; D666-R708 IonicContact OD2-NE 3.73Å; D666-R708 PolarHBondContact OD2-NE 3.3Å; D666-R708 IonicContact OD2-NH1 2.86Å; D666-R708 IonicContact OD2-NH2 3.94Å; D666-R708 PolarHBondContact OD2-NH2 2.86Å; D666-L716 WeakPolarHBondContact O-CG 3.47Å
667	Q	91.4	Very high	89.9	Confident	92 Å²	92	28.9 Å²	28.9	43%	0.43	17%	0.171	S	C	.	.			trans	-144.8	131.7	177.3	-171.2	178.8	-16.8	0	0	111.7	G669 A715	Q667-G669 PolarHBondContact O-N 2.98Å; Q667-A715 CarbonylContact C-O 3.55Å; Q667-A715 VanDerWaalsContact CA-O 3.25Å; Q667-A715 WeakPolarHBondContact CA-O 3.43Å
668	D	91.9	Very high	91.1	Very high	13 Å²	13	24.3 Å²	24.3	7%	0.07	13%	0.133	C	C	.	.			trans	-79.7	110.9	161.7	-61.4	-38.3	0	0	0	107.7	V301 S673 S676 A715 L716 P717 E718	V301-D668 HydrophobicContact CB-CB 4.43Å; V301-D668 HydrophobicContact CG1-CB 4.33Å; V301-D668 HydrophobicContact CG2-CB 3.99Å; D668-S673 WeakPolarHBondContact OD1-CB 3.24Å; D668-S673 PolarHBondContact OD1-N 3.44Å; D668-S676 PolarHBondContact OD1-OG 2.77Å; D668-A715 PolarHBondContact N-O 3.17Å; D668-L716 WeakPolarHBondContact OD2-CA 3.16Å; D668-P717 WeakPolarHBondContact OD2-CD 3.28Å; D668-E718 WeakPolarHBondContact OD2-CB 3.43Å; D668-E718 PolarHBondContact OD2-N 3.07Å
669	G	86.1	Confident	92	Very high	32 Å²	32	23.8 Å²	23.8	33%	0.33	13%	0.129	S	C	.	.			trans	-98.1	-131.5	-176	0	0	0	0	0	112.4	Q667 E671	Q667-G669 PolarHBondContact O-N 2.98Å; G669-E671 CarbonylContact C-O 2.96Å; G669-E671 PolarHBondContact N-O 2.85Å
670	A	88.3	Confident	92.8	Very high	32 Å²	32	24.6 Å²	24.6	26%	0.264	14%	0.135	S	C	.	.	S	Bend	trans	-68	-31	166.9	0	0	0	0	0	111.3	Y365 Q369	Y365-A670 HydrophobicContact CE2-CB 3.81Å; Q369-A670 PolarHBondContact NE2-O 3.48Å
671	E	94.3	Very high	93.6	Very high	31 Å²	31	22.4 Å²	22.4	15%	0.145	12%	0.124	C	C	.	.	S	Bend	trans	-107.3	147.6	169.4	-61.4	166.9	-109.4	0	0	108.3	R170 Y365 W538 G669	R170-E671 IonicContact NH2-OE1 3.97Å; Y365-E671 HydrophobicContact CD1-CG 4.3Å; Y365-E671 HydrophobicContact CD2-CG 3.94Å; Y365-E671 HydrophobicContact CE2-CG 4.38Å; Y365-E671 HydrophobicContact CG-CG 3.9Å; W538-E671 VanDerWaalsContact NE1-CD 3.35Å; W538-E671 PolarHBondContact NE1-OE2 3.28Å; G669-E671 CarbonylContact C-O 2.96Å; G669-E671 PolarHBondContact N-O 2.85Å
672	P	96.4	Very high	94.3	Very high	7 Å²	7	21.7 Å²	21.7	5%	0.045	12%	0.12	C	C	.	.			trans	-64.5	150.6	172.1	29.2	-33.4	0	0	0	109.8	V301 F609 A674 V677 E718	V301-P672 HydrophobicContact CG1-CB 3.97Å; F609-P672 HydrophobicContact CE1-CG 3.94Å; F609-P672 HydrophobicContact CZ-CG 3.92Å; F609-P672 VanDerWaalsContact CZ-O 3.25Å; F609-P672 WeakPolarHBondContact CZ-O 3.38Å; P672-A674 PolarHBondContact O-N 2.91Å; P672-V677 HydrophobicContact CB-CG2 3.92Å; P672-V677 HydrophobicContact CG-CG2 3.82Å; P672-E718 HydrophobicContact CB-CB 4.49Å; P672-E718 HydrophobicContact CB-CG 4.38Å
673	S	96.8	Very high	94.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.			trans	-61.8	133.6	171.2	167.8	0	0	0	0	109.4	E665 D668 N675 S676 V677	E665-S673 PolarHBondContact O-OG 3.39Å; D668-S673 WeakPolarHBondContact OD1-CB 3.24Å; D668-S673 PolarHBondContact OD1-N 3.44Å; S673-N675 PolarHBondContact O-N 3.43Å; S673-N675 PolarHBondContact OG-N 3.4Å; S673-S676 WeakPolarHBondContact CB-OG 3.36Å; S673-S676 WeakPolarHBondContact O-CA 3.27Å; S673-S676 VanDerWaalsContact O-CB 3.26Å; S673-S676 WeakPolarHBondContact O-CB 3.14Å; S673-S676 PolarHBondContact O-N 2.95Å; S673-V677 PolarHBondContact O-N 3.33Å; S673-V677 VanDerWaalsContact O-N 3.14Å
674	A	97.8	Very high	95.1	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-63.1	-24.5	178.1	0	0	0	0	0	112.4	L604 D605 A608 F609 P672 S678	L604-A674 HydrophobicContact CB-CB 4.32Å; L604-A674 HydrophobicContact CD2-CB 3.8Å; L604-A674 HydrophobicContact CG-CB 3.64Å; D605-A674 HydrophobicContact CB-CB 3.96Å; A608-A674 HydrophobicContact CB-CB 3.97Å; F609-A674 HydrophobicContact CE1-CB 4.32Å; P672-A674 PolarHBondContact O-N 2.91Å; A674-S678 VanDerWaalsContact O-CB 3.23Å; A674-S678 WeakPolarHBondContact O-CB 3.28Å; A674-S678 PolarHBondContact O-N 3.25Å; A674-S678 PolarHBondContact O-OG 2.93Å
675	N	98.2	Very high	95.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-68.4	-41.6	170.2	-83.7	-82.1	0	0	0	111.7	Y649 S673 V677 S678 A679 L701 F705 M719	Y649-N675 PolarHBondContact N-OD1 2.91Å; Y649-N675 PolarHBondContact O-ND2 3.08Å; S673-N675 PolarHBondContact O-N 3.43Å; S673-N675 PolarHBondContact OG-N 3.4Å; N675-V677 PolarHBondContact O-N 2.85Å; N675-S678 PolarHBondContact O-N 2.89Å; N675-A679 PolarHBondContact O-N 3.34Å; N675-L701 HydrophobicContact CB-CD1 4.49Å; N675-F705 HydrophobicContact CB-CE2 4.01Å; N675-F705 HydrophobicContact CB-CZ 3.89Å; N675-M719 HydrophobicContact CB-CE 3.77Å
676	S	98.1	Very high	95.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.6	-49.1	175.6	-56	0	0	0	0	111.2	D668 S673 A679 M719	D668-S676 PolarHBondContact OD1-OG 2.77Å; S673-S676 WeakPolarHBondContact CB-OG 3.36Å; S673-S676 WeakPolarHBondContact O-CA 3.27Å; S673-S676 VanDerWaalsContact O-CB 3.26Å; S673-S676 WeakPolarHBondContact O-CB 3.14Å; S673-S676 PolarHBondContact O-N 2.95Å; S676-A679 WeakPolarHBondContact O-CB 3.32Å; S676-A679 PolarHBondContact O-N 3.14Å; S676-M719 PolarHBondContact OG-N 2.94Å
677	V	98.7	Very high	96	Very high	8 Å²	8	14.9 Å²	14.9	5%	0.048	9%	0.089	C	C	.	.	H	α-helix	trans	-67.2	-40.4	179.2	-178.9	0	0	0	0	111.3	A608 F609 C612 P672 S673 N675 A679 S680 N681 E718	A608-V677 HydrophobicContact CB-CB 4.43Å; A608-V677 HydrophobicContact CB-CG1 4.48Å; F609-V677 HydrophobicContact CD1-CB 4.12Å; F609-V677 HydrophobicContact CD1-CG1 4.09Å; F609-V677 HydrophobicContact CD1-CG2 3.93Å; F609-V677 HydrophobicContact CE1-CB 4.11Å; F609-V677 HydrophobicContact CE1-CG2 3.65Å; C612-V677 HydrophobicContact CB-CG1 3.7Å; P672-V677 HydrophobicContact CB-CG2 3.92Å; P672-V677 HydrophobicContact CG-CG2 3.82Å; S673-V677 PolarHBondContact O-N 3.33Å; S673-V677 VanDerWaalsContact O-N 3.14Å; N675-V677 PolarHBondContact O-N 2.85Å; V677-A679 VanDerWaalsContact C-N 3.32Å; V677-A679 PolarHBondContact O-N 2.88Å; V677-S680 PolarHBondContact O-N 3.42Å; V677-N681 VanDerWaalsContact O-CG 3.31Å; V677-N681 PolarHBondContact O-N 2.97Å; V677-E718 HydrophobicContact CG2-CG 4.48Å
678	S	98.8	Very high	96.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.1	-37.8	177.6	-63.6	0	0	0	0	112.9	A608 Q637 A674 N675 S680 N681 L682	A608-S678 WeakPolarHBondContact CB-OG 3.28Å; Q637-S678 PolarHBondContact NE2-OG 2.83Å; A674-S678 VanDerWaalsContact O-CB 3.23Å; A674-S678 WeakPolarHBondContact O-CB 3.28Å; A674-S678 PolarHBondContact O-N 3.25Å; A674-S678 PolarHBondContact O-OG 2.93Å; N675-S678 PolarHBondContact O-N 2.89Å; S678-S680 VanDerWaalsContact C-N 3.32Å; S678-S680 PolarHBondContact O-N 3.22Å; S678-N681 PolarHBondContact O-N 3.42Å; S678-L682 WeakPolarHBondContact O-CB 3.4Å; S678-L682 VanDerWaalsContact O-CG 3.26Å; S678-L682 WeakPolarHBondContact O-CG 3.43Å; S678-L682 PolarHBondContact O-N 3.25Å
679	A	98.3	Very high	96.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-57.8	-46	175.5	0	0	0	0	0	111.4	N675 S676 V677 L683 S698 L701 L702 A722	N675-A679 PolarHBondContact O-N 3.34Å; S676-A679 WeakPolarHBondContact O-CB 3.32Å; S676-A679 PolarHBondContact O-N 3.14Å; V677-A679 VanDerWaalsContact C-N 3.32Å; V677-A679 PolarHBondContact O-N 2.88Å; A679-L683 WeakPolarHBondContact O-CG 3.3Å; A679-L683 PolarHBondContact O-N 2.86Å; A679-S698 PolarHBondContact O-OG 2.95Å; A679-L701 HydrophobicContact CB-CD1 4.42Å; A679-L701 HydrophobicContact CB-CD2 3.75Å; A679-L702 HydrophobicContact CB-CD2 4.23Å; A679-L702 HydrophobicContact CB-CG 4.48Å; A679-A722 HydrophobicContact CB-CB 3.65Å
680	S	97.8	Very high	96.5	Very high	33 Å²	33	10.3 Å²	10.3	23%	0.231	7%	0.069	C	C	.	.	H	α-helix	trans	-66.4	-42.6	176.3	-170.3	0	0	0	0	112.4	V677 S678 L682 L683 R684	V677-S680 PolarHBondContact O-N 3.42Å; S678-S680 VanDerWaalsContact C-N 3.32Å; S678-S680 PolarHBondContact O-N 3.22Å; S680-L682 PolarHBondContact O-N 3.15Å; S680-L683 PolarHBondContact O-N 2.96Å; S680-R684 WeakPolarHBondContact O-CG 3.33Å; S680-R684 PolarHBondContact O-N 3.23Å
681	N	98.8	Very high	96.7	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-59.8	-46.5	177.6	-70	-13.7	0	0	0	112	A608 V611 C612 L615 V677 S678 L683 R684 L685	A608-N681 PolarHBondContact O-ND2 3.35Å; V611-N681 HydrophobicContact CG1-CB 3.85Å; V611-N681 WeakPolarHBondContact CG1-ND2 3.3Å; C612-N681 WeakPolarHBondContact CA-OD1 3.43Å; L615-N681 HydrophobicContact CD1-CB 4.35Å; V677-N681 VanDerWaalsContact O-CG 3.31Å; V677-N681 PolarHBondContact O-N 2.97Å; S678-N681 PolarHBondContact O-N 3.42Å; N681-L683 VanDerWaalsContact C-N 3.32Å; N681-L683 PolarHBondContact O-N 2.89Å; N681-R684 PolarHBondContact O-N 3.07Å; N681-L685 VanDerWaalsContact O-CB 3.26Å; N681-L685 WeakPolarHBondContact O-CB 3.23Å; N681-L685 WeakPolarHBondContact O-CG 3.35Å; N681-L685 PolarHBondContact O-N 2.84Å
682	L	98.7	Very high	96.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.4	-43.4	177.3	-74.7	168.4	0	0	0	111.7	Q634 Y649 S678 S680 S686 W694 K697	Q634-L682 HydrophobicContact CG-CD2 4.08Å; Y649-L682 HydrophobicContact CE2-CD1 4.17Å; S678-L682 WeakPolarHBondContact O-CB 3.4Å; S678-L682 VanDerWaalsContact O-CG 3.26Å; S678-L682 WeakPolarHBondContact O-CG 3.43Å; S678-L682 PolarHBondContact O-N 3.25Å; S680-L682 PolarHBondContact O-N 3.15Å; L682-S686 WeakPolarHBondContact O-CB 3.21Å; L682-S686 PolarHBondContact O-N 3.22Å; L682-W694 HydrophobicContact CB-CB 4.49Å; L682-W694 HydrophobicContact CD2-CB 3.87Å; L682-W694 VanDerWaalsContact CD2-CD1 3.41Å; L682-W694 HydrophobicContact CD2-CG 3.78Å; L682-K697 HydrophobicContact CD1-CB 3.99Å; L682-K697 HydrophobicContact CD2-CB 4.24Å
683	L	97.3	Very high	96.7	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-63.6	-48.1	175.7	-68.9	170.8	0	0	0	111.8	A679 S680 N681 L685 S686 H687 L695 S698 A725 Q726 L730	A679-L683 WeakPolarHBondContact O-CG 3.3Å; A679-L683 PolarHBondContact O-N 2.86Å; S680-L683 PolarHBondContact O-N 2.96Å; N681-L683 VanDerWaalsContact C-N 3.32Å; N681-L683 PolarHBondContact O-N 2.89Å; L683-L685 PolarHBondContact O-N 3.38Å; L683-S686 PolarHBondContact O-N 3.39Å; L683-S686 PolarHBondContact O-OG 3.14Å; L683-H687 PolarHBondContact O-N 3.2Å; L683-H687 PolarHBondContact O-ND1 3.08Å; L683-L695 HydrophobicContact CD2-CD1 3.57Å; L683-S698 WeakPolarHBondContact CD2-OG 3.21Å; L683-S698 VanDerWaalsContact CG-OG 3.3Å; L683-S698 WeakPolarHBondContact CG-OG 3.47Å; L683-A725 HydrophobicContact CD1-CB 4.15Å; L683-Q726 HydrophobicContact CD1-CB 4Å; L683-Q726 HydrophobicContact CD2-CB 4.29Å; L683-Q726 HydrophobicContact CD2-CG 4.11Å; L683-L730 HydrophobicContact CB-CD1 4.18Å
684	R	98	Very high	96.7	Very high	19 Å²	19	22.3 Å²	22.3	7%	0.072	12%	0.115	C	C	.	.	H	α-helix	trans	-61.4	-47.1	178.6	-69.8	173.1	72.1	-173.6	8.7	111.1	L615 D616 E619 S680 N681 S686 H687 Y688 L730 V760	L615-R684 VanDerWaalsContact CB-CZ 3.44Å; L615-R684 HydrophobicContact CD1-CB 3.97Å; D616-R684 IonicContact OD1-CZ 2.94Å; D616-R684 IonicContact OD1-NH1 2.77Å; D616-R684 PolarHBondContact OD1-NH1 2.93Å; D616-R684 IonicContact OD1-NH2 3.39Å; D616-R684 PolarHBondContact OD1-NH2 2.99Å; E619-R684 VanDerWaalsContact CD-NH2 3.25Å; E619-R684 IonicContact OE1-CZ 3.35Å; E619-R684 IonicContact OE1-NE 3.79Å; E619-R684 PolarHBondContact OE1-NE 3.49Å; E619-R684 IonicContact OE1-NH2 3.52Å; E619-R684 PolarHBondContact OE1-NH2 3.44Å; E619-R684 IonicContact OE2-NH2 3.65Å; S680-R684 WeakPolarHBondContact O-CG 3.33Å; S680-R684 PolarHBondContact O-N 3.23Å; N681-R684 PolarHBondContact O-N 3.07Å; R684-S686 PolarHBondContact O-N 2.62Å; R684-H687 PolarHBondContact O-N 2.86Å; R684-H687 VanDerWaalsContact O-N 3.13Å; R684-Y688 HydrophobicContact CB-CE2 4.29Å; R684-Y688 WeakPolarHBondContact O-CD2 3.47Å; R684-Y688 PolarHBondContact O-N 3.41Å; R684-L730 HydrophobicContact CG-CD1 4.06Å; R684-V760 HydrophobicContact CB-CG1 4.16Å; R684-V760 HydrophobicContact CG-CG1 4.09Å
685	L	98.2	Very high	96.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.1	-36.6	178.7	-78.8	169.9	0	0	0	112.8	V611 L615 L627 A630 Q634 N681 L683 H687 Y688 T689 W694	V611-L685 HydrophobicContact CG1-CD1 4.05Å; L615-L685 HydrophobicContact CD1-CG 4.24Å; L615-L685 HydrophobicContact CD2-CD2 3.8Å; L615-L685 HydrophobicContact CD2-CG 4.14Å; L627-L685 HydrophobicContact CD1-CD2 4.14Å; A630-L685 HydrophobicContact CB-CD2 4.43Å; Q634-L685 HydrophobicContact CB-CD1 3.47Å; Q634-L685 VanDerWaalsContact CB-CD1 3.47Å; Q634-L685 HydrophobicContact CG-CD1 3.55Å; N681-L685 VanDerWaalsContact O-CB 3.26Å; N681-L685 WeakPolarHBondContact O-CB 3.23Å; N681-L685 WeakPolarHBondContact O-CG 3.35Å; N681-L685 PolarHBondContact O-N 2.84Å; L683-L685 PolarHBondContact O-N 3.38Å; L685-H687 PolarHBondContact O-N 2.79Å; L685-Y688 PolarHBondContact O-N 2.63Å; L685-T689 WeakPolarHBondContact O-CB 3.21Å; L685-T689 WeakPolarHBondContact O-CG2 3.35Å; L685-T689 PolarHBondContact O-N 3.36Å; L685-T689 PolarHBondContact O-OG1 3.27Å; L685-W694 HydrophobicContact CB-CD2 4.33Å; L685-W694 HydrophobicContact CB-CE3 3.58Å; L685-W694 HydrophobicContact CB-CH2 4.43Å; L685-W694 HydrophobicContact CB-CZ3 3.63Å; L685-W694 HydrophobicContact CD1-CH2 4.39Å; L685-W694 HydrophobicContact CD1-CZ3 4.38Å; L685-W694 HydrophobicContact CD2-CH2 4.48Å; L685-W694 HydrophobicContact CD2-CZ3 4.18Å; L685-W694 HydrophobicContact CG-CZ3 4.3Å
686	S	96.6	Very high	96.4	Very high	8 Å²	8	29 Å²	29	6%	0.056	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-34.9	174.7	78.4	0	0	0	0	111.5	L682 L683 R684 G690 R691	L682-S686 WeakPolarHBondContact O-CB 3.21Å; L682-S686 PolarHBondContact O-N 3.22Å; L683-S686 PolarHBondContact O-N 3.39Å; L683-S686 PolarHBondContact O-OG 3.14Å; R684-S686 PolarHBondContact O-N 2.62Å; S686-G690 VanDerWaalsContact O-CA 3.31Å; S686-G690 WeakPolarHBondContact O-CA 3.16Å; S686-G690 PolarHBondContact O-N 2.97Å; S686-R691 WeakPolarHBondContact CB-O 3.46Å
687	H	94.9	Very high	96.4	Very high	31 Å²	31	29.9 Å²	29.9	14%	0.144	15%	0.151	C	C	.	.	H	α-helix	trans	-74.1	-35.5	176.6	-70.9	68.9	0	0	0	112.3	L683 R684 L685 Q732 V760 M762 L776	L683-H687 PolarHBondContact O-N 3.2Å; L683-H687 PolarHBondContact O-ND1 3.08Å; R684-H687 PolarHBondContact O-N 2.86Å; R684-H687 VanDerWaalsContact O-N 3.13Å; L685-H687 PolarHBondContact O-N 2.79Å; H687-Q732 PolarHBondContact CD2-NE2 3.05Å; H687-V760 HydrophobicContact CB-CG1 4.3Å; H687-V760 HydrophobicContact CB-CG2 3.9Å; H687-M762 VanDerWaalsContact O-CE 3.26Å; H687-M762 WeakPolarHBondContact O-CE 3.48Å; H687-L776 VanDerWaalsContact O-CD1 3.31Å; H687-L776 WeakPolarHBondContact O-CD1 3.47Å
688	Y	95.6	Very high	96.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-74.7	-27	175.9	-71.8	-54.8	0	0	0	114.4	L615 Y618 E619 L627 R684 L685 V760 V761 M762 L772 L776	L615-Y688 HydrophobicContact CD2-CD2 4.06Å; L615-Y688 HydrophobicContact CD2-CE2 4.13Å; Y618-Y688 HydrophobicContact CD1-CE1 4.29Å; Y618-Y688 HydrophobicContact CE1-CD1 4.09Å; Y618-Y688 AromaticContact CE1-CE1 3.51Å; Y618-Y688 HydrophobicContact CE1-CE1 3.51Å; Y618-Y688 HydrophobicContact CE1-CE2 4.5Å; Y618-Y688 AromaticContact CE1-CZ 3.74Å; E619-Y688 WeakPolarHBondContact CG-OH 3.41Å; E619-Y688 PolarHBondContact OE1-OH 3.21Å; L627-Y688 HydrophobicContact CD1-CD2 3.8Å; L627-Y688 HydrophobicContact CD1-CG 3.9Å; L627-Y688 HydrophobicContact CD2-CD1 4.28Å; L627-Y688 HydrophobicContact CD2-CG 4.16Å; R684-Y688 HydrophobicContact CB-CE2 4.29Å; R684-Y688 WeakPolarHBondContact O-CD2 3.47Å; R684-Y688 PolarHBondContact O-N 3.41Å; L685-Y688 PolarHBondContact O-N 2.63Å; Y688-V760 HydrophobicContact CE1-CB 3.87Å; Y688-V760 HydrophobicContact CE1-CG1 4.42Å; Y688-V760 HydrophobicContact CE1-CG2 4.5Å; Y688-V760 HydrophobicContact CE2-CB 4.15Å; Y688-V760 HydrophobicContact CE2-CG1 3.83Å; Y688-V760 WeakPolarHBondContact OH-CB 3.33Å; Y688-V761 PolarHBondContact OH-N 2.91Å; Y688-V761 VanDerWaalsContact OH-N 3.17Å; Y688-V761 PolarHBondContact OH-O 3.22Å; Y688-M762 HydrophobicContact CD1-CE 3.65Å; Y688-M762 HydrophobicContact CD1-CG 3.79Å; Y688-M762 HydrophobicContact CD1-SD 4.2Å; Y688-M762 HydrophobicContact CE1-CE 3.99Å; Y688-M762 HydrophobicContact CE1-CG 3.59Å; Y688-L772 HydrophobicContact CD1-CD2 4.44Å; Y688-L776 WeakPolarHBondContact O-CD1 3.43Å
689	T	93.2	Very high	96.1	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.037	17%	0.165	C	C	.	.	H	α-helix	trans	-112.2	-13.2	-172.1	63.3	0	0	0	0	114.7	L685 R691 W694	L685-T689 WeakPolarHBondContact O-CB 3.21Å; L685-T689 WeakPolarHBondContact O-CG2 3.35Å; L685-T689 PolarHBondContact O-N 3.36Å; L685-T689 PolarHBondContact O-OG1 3.27Å; T689-R691 PolarHBondContact O-N 3.13Å; T689-R691 WeakPolarHBondContact OG1-CB 3.43Å; T689-R691 WeakPolarHBondContact OG1-CG 3.2Å; T689-R691 PolarHBondContact OG1-N 2.97Å; T689-W694 HydrophobicContact CG2-CH2 4.5Å; T689-W694 HydrophobicContact CG2-CZ3 3.67Å; T689-W694 WeakPolarHBondContact OG1-CZ3 3.33Å
690	G	90.9	Very high	96.1	Very high	36 Å²	36	37.5 Å²	37.5	37%	0.371	19%	0.186	S	C	.	.			trans	69.6	4	-171.8	0	0	0	0	0	113.9	S686 Q692	S686-G690 VanDerWaalsContact O-CA 3.31Å; S686-G690 WeakPolarHBondContact O-CA 3.16Å; S686-G690 PolarHBondContact O-N 2.97Å; G690-Q692 PolarHBondContact O-N 2.9Å; G690-Q692 VanDerWaalsContact O-N 3.16Å
691	R	93.8	Very high	96.1	Very high	90 Å²	90	36 Å²	36	34%	0.34	18%	0.175	S	C	.	.			trans	-74.5	106.3	-177.6	-69.9	-174.9	178.4	169.9	7.7	111.1	E631 S686 T689 E693 W694	E631-R691 IonicContact OE1-CZ 3.8Å; E631-R691 IonicContact OE1-NH1 2.85Å; E631-R691 PolarHBondContact OE1-NH1 3.06Å; E631-R691 IonicContact OE1-NH2 3.5Å; E631-R691 PolarHBondContact OE1-NH2 2.89Å; S686-R691 WeakPolarHBondContact CB-O 3.46Å; T689-R691 PolarHBondContact O-N 3.13Å; T689-R691 WeakPolarHBondContact OG1-CB 3.43Å; T689-R691 WeakPolarHBondContact OG1-CG 3.2Å; T689-R691 PolarHBondContact OG1-N 2.97Å; R691-E693 PolarHBondContact O-N 3.27Å; R691-W694 HydrophobicContact CB-CE3 4.09Å; R691-W694 PolarHBondContact O-N 2.92Å
692	Q	93.8	Very high	96	Very high	113 Å²	113	35.9 Å²	35.9	53%	0.528	18%	0.175	S	C	.	.	H	α-helix	trans	-63	-25.1	175.2	-65.2	-59.3	-47.3	0	0	113.1	G690 W694 L695 Q696	G690-Q692 PolarHBondContact O-N 2.9Å; G690-Q692 VanDerWaalsContact O-N 3.16Å; Q692-W694 VanDerWaalsContact C-N 3.33Å; Q692-W694 PolarHBondContact O-N 3.29Å; Q692-L695 WeakPolarHBondContact O-CB 3.12Å; Q692-L695 PolarHBondContact O-N 2.95Å; Q692-Q696 VanDerWaalsContact O-CG 3.32Å; Q692-Q696 WeakPolarHBondContact O-CG 3.33Å; Q692-Q696 PolarHBondContact O-N 2.85Å
693	E	96	Very high	95.9	Very high	114 Å²	114	36 Å²	36	53%	0.533	18%	0.175	S	C	.	.	H	α-helix	trans	-57.7	-43.5	176.6	-175.3	-174.8	168.5	0	0	112.2	R691 Q696 K697	R691-E693 PolarHBondContact O-N 3.27Å; E693-Q696 PolarHBondContact O-N 3.2Å; E693-K697 HydrophobicContact CG-CD 4.35Å; E693-K697 PolarHBondContact O-N 2.88Å; E693-K697 WeakPolarHBondContact OE1-CE 3.45Å
694	W	96.7	Very high	95.9	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-72.2	-33.4	179.1	-72.5	-32.9	0	0	0	112.9	E631 Q634 D638 L682 L685 T689 R691 Q692 Q696 K697 S698	E631-W694 HydrophobicContact CB-CH2 3.92Å; E631-W694 HydrophobicContact CG-CH2 3.77Å; Q634-W694 HydrophobicContact CB-CZ2 4.14Å; Q634-W694 HydrophobicContact CG-CZ2 4Å; D638-W694 PolarHBondContact OD2-NE1 3.22Å; D638-W694 VanDerWaalsContact OD2-NE1 3.1Å; L682-W694 HydrophobicContact CB-CB 4.49Å; L682-W694 HydrophobicContact CD2-CB 3.87Å; L682-W694 VanDerWaalsContact CD2-CD1 3.41Å; L682-W694 HydrophobicContact CD2-CG 3.78Å; L685-W694 HydrophobicContact CB-CD2 4.33Å; L685-W694 HydrophobicContact CB-CE3 3.58Å; L685-W694 HydrophobicContact CB-CH2 4.43Å; L685-W694 HydrophobicContact CB-CZ3 3.63Å; L685-W694 HydrophobicContact CD1-CH2 4.39Å; L685-W694 HydrophobicContact CD1-CZ3 4.38Å; L685-W694 HydrophobicContact CD2-CH2 4.48Å; L685-W694 HydrophobicContact CD2-CZ3 4.18Å; L685-W694 HydrophobicContact CG-CZ3 4.3Å; T689-W694 HydrophobicContact CG2-CH2 4.5Å; T689-W694 HydrophobicContact CG2-CZ3 3.67Å; T689-W694 WeakPolarHBondContact OG1-CZ3 3.33Å; R691-W694 HydrophobicContact CB-CE3 4.09Å; R691-W694 PolarHBondContact O-N 2.92Å; Q692-W694 VanDerWaalsContact C-N 3.33Å; Q692-W694 PolarHBondContact O-N 3.29Å; W694-Q696 VanDerWaalsContact C-N 3.33Å; W694-K697 PolarHBondContact O-N 2.76Å; W694-S698 PolarHBondContact O-N 3.49Å
695	L	95.3	Very high	95.8	Very high	39 Å²	39	35.3 Å²	35.3	20%	0.204	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-44.9	170.2	-179.7	61	0	0	0	110.9	L683 Q692 S698 Q699	L683-L695 HydrophobicContact CD2-CD1 3.57Å; Q692-L695 WeakPolarHBondContact O-CB 3.12Å; Q692-L695 PolarHBondContact O-N 2.95Å; L695-S698 WeakPolarHBondContact O-CB 3.32Å; L695-S698 PolarHBondContact O-N 3.14Å; L695-Q699 WeakPolarHBondContact O-CG 3.5Å; L695-Q699 PolarHBondContact O-N 3.12Å
696	Q	95.4	Very high	95.7	Very high	102 Å²	102	35.8 Å²	35.8	48%	0.477	18%	0.177	S	C	.	.	H	α-helix	trans	-65.6	-40.6	177.1	-69.8	169.6	15.3	0	0	112.2	Q692 E693 W694 Q699 Q700	Q692-Q696 VanDerWaalsContact O-CG 3.32Å; Q692-Q696 WeakPolarHBondContact O-CG 3.33Å; Q692-Q696 PolarHBondContact O-N 2.85Å; E693-Q696 PolarHBondContact O-N 3.2Å; W694-Q696 VanDerWaalsContact C-N 3.33Å; Q696-Q699 WeakPolarHBondContact O-CB 3.03Å; Q696-Q699 PolarHBondContact O-N 3.21Å; Q696-Q700 VanDerWaalsContact O-CG 3.32Å; Q696-Q700 WeakPolarHBondContact O-CG 2.99Å; Q696-Q700 PolarHBondContact O-N 2.9Å
697	K	96.6	Very high	95.6	Very high	19 Å²	19	41.7 Å²	41.7	8%	0.083	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-40.3	173.7	-80.2	171.6	169.9	-81.8	0	111.7	D638 W642 L682 E693 W694 Q699 Q700 L701	D638-K697 IonicContact OD2-NZ 3.79Å; W642-K697 HydrophobicContact CH2-CB 3.96Å; W642-K697 HydrophobicContact CH2-CG 4.12Å; W642-K697 VanDerWaalsContact CH2-O 3.31Å; W642-K697 WeakPolarHBondContact CH2-O 3.21Å; W642-K697 HydrophobicContact CZ2-CB 4.36Å; W642-K697 HydrophobicContact CZ2-CG 4.03Å; W642-K697 HydrophobicContact CZ3-CB 4.31Å; L682-K697 HydrophobicContact CD1-CB 3.99Å; L682-K697 HydrophobicContact CD2-CB 4.24Å; E693-K697 HydrophobicContact CG-CD 4.35Å; E693-K697 PolarHBondContact O-N 2.88Å; E693-K697 WeakPolarHBondContact OE1-CE 3.45Å; W694-K697 PolarHBondContact O-N 2.76Å; K697-Q699 VanDerWaalsContact C-N 3.33Å; K697-Q699 PolarHBondContact O-N 3.01Å; K697-Q700 PolarHBondContact O-N 2.89Å; K697-L701 WeakPolarHBondContact O-CB 3.45Å; K697-L701 PolarHBondContact O-N 3.37Å
698	S	97.1	Very high	95.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-46.5	173.2	174.5	0	0	0	0	111.1	A679 L683 W694 L695 Q700 L701 L702 Q726	A679-S698 PolarHBondContact O-OG 2.95Å; L683-S698 WeakPolarHBondContact CD2-OG 3.21Å; L683-S698 VanDerWaalsContact CG-OG 3.3Å; L683-S698 WeakPolarHBondContact CG-OG 3.47Å; W694-S698 PolarHBondContact O-N 3.49Å; L695-S698 WeakPolarHBondContact O-CB 3.32Å; L695-S698 PolarHBondContact O-N 3.14Å; S698-Q700 PolarHBondContact O-N 3.18Å; S698-L701 PolarHBondContact O-N 3.33Å; S698-L702 WeakPolarHBondContact O-CG 3.47Å; S698-L702 PolarHBondContact O-N 3.32Å; S698-Q726 PolarHBondContact OG-OE1 3.47Å
699	Q	96.1	Very high	95.7	Very high	76 Å²	76	42.9 Å²	42.9	36%	0.355	21%	0.212	S	C	.	.	H	α-helix	trans	-60.1	-45.9	176.4	-70.8	168	-9.1	0	0	111.8	P266 L695 Q696 K697 L701 L702 A703	P266-Q699 HydrophobicContact CG-CB 4.38Å; P266-Q699 VanDerWaalsContact CG-O 3.27Å; P266-Q699 WeakPolarHBondContact CG-O 3.44Å; L695-Q699 WeakPolarHBondContact O-CG 3.5Å; L695-Q699 PolarHBondContact O-N 3.12Å; Q696-Q699 WeakPolarHBondContact O-CB 3.03Å; Q696-Q699 PolarHBondContact O-N 3.21Å; K697-Q699 VanDerWaalsContact C-N 3.33Å; K697-Q699 PolarHBondContact O-N 3.01Å; Q699-L701 VanDerWaalsContact C-N 3.35Å; Q699-L701 PolarHBondContact O-N 2.95Å; Q699-L702 PolarHBondContact O-N 3.32Å; Q699-A703 WeakPolarHBondContact O-CB 3.48Å; Q699-A703 PolarHBondContact O-N 3.39Å
700	Q	96.6	Very high	95.8	Very high	92 Å²	92	45.1 Å²	45.1	43%	0.43	23%	0.225	S	C	.	.	H	α-helix	trans	-64.5	-38.7	178	-72.9	172.6	-0.6	0	0	112.4	W642 Q696 K697 S698 A703 A704	W642-Q700 HydrophobicContact CH2-CB 4.07Å; W642-Q700 HydrophobicContact CZ2-CB 4.03Å; Q696-Q700 VanDerWaalsContact O-CG 3.32Å; Q696-Q700 WeakPolarHBondContact O-CG 2.99Å; Q696-Q700 PolarHBondContact O-N 2.9Å; K697-Q700 PolarHBondContact O-N 2.89Å; S698-Q700 PolarHBondContact O-N 3.18Å; Q700-A703 PolarHBondContact O-N 3.29Å; Q700-A704 PolarHBondContact O-N 3.43Å
701	L	97.6	Very high	96	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-50.7	174.8	-178.1	160.1	0	0	0	110.3	W642 Y649 N675 A679 K697 S698 Q699 A703 A704 F705 M719	W642-L701 HydrophobicContact CH2-CB 4.21Å; W642-L701 HydrophobicContact CZ3-CB 4.21Å; Y649-L701 HydrophobicContact CD2-CD1 3.58Å; Y649-L701 HydrophobicContact CE2-CD1 3.53Å; N675-L701 HydrophobicContact CB-CD1 4.49Å; A679-L701 HydrophobicContact CB-CD1 4.42Å; A679-L701 HydrophobicContact CB-CD2 3.75Å; K697-L701 WeakPolarHBondContact O-CB 3.45Å; K697-L701 PolarHBondContact O-N 3.37Å; S698-L701 PolarHBondContact O-N 3.33Å; Q699-L701 VanDerWaalsContact C-N 3.35Å; Q699-L701 PolarHBondContact O-N 2.95Å; L701-A703 VanDerWaalsContact C-N 3.29Å; L701-A703 PolarHBondContact O-N 3.41Å; L701-A704 WeakPolarHBondContact O-CB 3.38Å; L701-A704 PolarHBondContact O-N 2.8Å; L701-F705 HydrophobicContact CD2-CD2 4.36Å; L701-F705 WeakPolarHBondContact O-CD2 3.17Å; L701-F705 PolarHBondContact O-N 3.42Å; L701-M719 HydrophobicContact CD2-CE 3.84Å; L701-M719 HydrophobicContact CD2-SD 4.27Å
702	L	97.6	Very high	96.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-36.6	179.3	-68.9	170.2	0	0	0	112.3	P266 A679 S698 Q699 A704 F705 S706 M719 A722 L723 Q726	P266-L702 HydrophobicContact CB-CB 3.96Å; P266-L702 HydrophobicContact CG-CB 3.85Å; A679-L702 HydrophobicContact CB-CD2 4.23Å; A679-L702 HydrophobicContact CB-CG 4.48Å; S698-L702 WeakPolarHBondContact O-CG 3.47Å; S698-L702 PolarHBondContact O-N 3.32Å; Q699-L702 PolarHBondContact O-N 3.32Å; L702-A704 VanDerWaalsContact C-N 3.33Å; L702-F705 PolarHBondContact O-N 2.95Å; L702-S706 PolarHBondContact O-N 2.91Å; L702-M719 HydrophobicContact CD2-CG 3.56Å; L702-M719 HydrophobicContact CD2-SD 4.31Å; L702-A722 HydrophobicContact CD2-CB 4.38Å; L702-L723 HydrophobicContact CB-CD1 4.45Å; L702-L723 HydrophobicContact CD1-CB 4.46Å; L702-L723 HydrophobicContact CD1-CD1 4.03Å; L702-L723 HydrophobicContact CD2-CB 4.21Å; L702-Q726 HydrophobicContact CD1-CB 4.18Å; L702-Q726 VanDerWaalsContact CD1-OE1 3.31Å
703	A	96.9	Very high	96.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-34.9	173.7	0	0	0	0	0	112.3	A260 E264 P266 Q699 Q700 L701 F705 S706	A260-A703 HydrophobicContact CB-CB 4.13Å; E264-A703 HydrophobicContact CB-CB 4.49Å; E264-A703 HydrophobicContact CG-CB 4.43Å; E264-A703 WeakPolarHBondContact O-CB 3.44Å; P266-A703 HydrophobicContact CG-CB 4.29Å; Q699-A703 WeakPolarHBondContact O-CB 3.48Å; Q699-A703 PolarHBondContact O-N 3.39Å; Q700-A703 PolarHBondContact O-N 3.29Å; L701-A703 VanDerWaalsContact C-N 3.29Å; L701-A703 PolarHBondContact O-N 3.41Å; A703-F705 PolarHBondContact O-N 2.69Å; A703-S706 WeakPolarHBondContact O-CB 3.47Å; A703-S706 PolarHBondContact O-N 2.95Å; A703-S706 VanDerWaalsContact O-N 3.15Å; A703-S706 PolarHBondContact O-OG 2.75Å
704	A	96.7	Very high	96.2	Very high	8 Å²	8	37.1 Å²	37.1	7%	0.066	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-26.8	178.2	0	0	0	0	0	112.6	I258 A260 G646 Q700 L701 L702	I258-A704 HydrophobicContact CG2-CB 4.34Å; I258-A704 WeakPolarHBondContact CG2-O 3.15Å; A260-A704 HydrophobicContact CB-CB 4.16Å; G646-A704 VanDerWaalsContact O-CB 3.31Å; G646-A704 WeakPolarHBondContact O-CB 3.47Å; Q700-A704 PolarHBondContact O-N 3.43Å; L701-A704 WeakPolarHBondContact O-CB 3.38Å; L701-A704 PolarHBondContact O-N 2.8Å; L702-A704 VanDerWaalsContact C-N 3.33Å
705	F	97.1	Very high	96.2	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	12.4	178.7	-71.4	-98	0	0	0	113.4	I258 K664 E665 D666 N675 L701 L702 A703 D707 R708 L709 L716 M719	I258-F705 HydrophobicContact CD1-CD1 4.07Å; I258-F705 HydrophobicContact CD1-CE1 3.5Å; I258-F705 VanDerWaalsContact CD1-CE1 3.5Å; I258-F705 HydrophobicContact CD1-CZ 4.06Å; I258-F705 HydrophobicContact CG2-CD1 4Å; I258-F705 HydrophobicContact CG2-CD2 4.05Å; I258-F705 HydrophobicContact CG2-CE1 3.98Å; I258-F705 HydrophobicContact CG2-CE2 4.04Å; I258-F705 HydrophobicContact CG2-CG 4.05Å; I258-F705 HydrophobicContact CG2-CZ 4.01Å; K664-F705 HydrophobicContact CB-CZ 4.11Å; E665-F705 WeakPolarHBondContact O-CE1 3.45Å; D666-F705 HydrophobicContact CB-CD1 4.48Å; D666-F705 HydrophobicContact CB-CE1 4.12Å; N675-F705 HydrophobicContact CB-CE2 4.01Å; N675-F705 HydrophobicContact CB-CZ 3.89Å; L701-F705 HydrophobicContact CD2-CD2 4.36Å; L701-F705 WeakPolarHBondContact O-CD2 3.17Å; L701-F705 PolarHBondContact O-N 3.42Å; L702-F705 PolarHBondContact O-N 2.95Å; A703-F705 PolarHBondContact O-N 2.69Å; F705-D707 VanDerWaalsContact C-N 3.32Å; F705-D707 PolarHBondContact O-N 2.69Å; F705-R708 PolarHBondContact O-N 3.17Å; F705-L709 HydrophobicContact CB-CD1 4.23Å; F705-L709 HydrophobicContact CB-CG 4.33Å; F705-L709 WeakPolarHBondContact O-CB 3.46Å; F705-L709 WeakPolarHBondContact O-CG 3.49Å; F705-L709 PolarHBondContact O-N 3.32Å; F705-L716 HydrophobicContact CD1-CD1 3.76Å; F705-L716 HydrophobicContact CE1-CD1 4.39Å; F705-L716 HydrophobicContact CG-CD1 4.49Å; F705-M719 HydrophobicContact CB-CE 4.46Å; F705-M719 HydrophobicContact CB-SD 3.51Å; F705-M719 VanDerWaalsContact CB-SD 3.51Å; F705-M719 HydrophobicContact CD1-CE 4.13Å; F705-M719 HydrophobicContact CD1-SD 4.14Å; F705-M719 HydrophobicContact CD2-CE 3.83Å; F705-M719 HydrophobicContact CD2-SD 3.91Å; F705-M719 HydrophobicContact CE1-CE 4.28Å; F705-M719 HydrophobicContact CE2-CE 4.01Å; F705-M719 HydrophobicContact CG-CE 3.89Å; F705-M719 HydrophobicContact CG-SD 3.6Å; F705-M719 VanDerWaalsContact CG-SD 3.6Å; F705-M719 HydrophobicContact CZ-CE 4.22Å
706	S	96	Very high	96.3	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.063	19%	0.185	C	C	.	.	H	α-helix	trans	-49.5	-47.5	-179.4	-70.1	0	0	0	0	113.3	E264 L702 A703 R708 L709 T710	E264-S706 VanDerWaalsContact OE1-CB 3.27Å; E264-S706 WeakPolarHBondContact OE1-CB 3.43Å; E264-S706 PolarHBondContact OE1-OG 2.87Å; E264-S706 VanDerWaalsContact OE1-OG 3.08Å; L702-S706 PolarHBondContact O-N 2.91Å; A703-S706 WeakPolarHBondContact O-CB 3.47Å; A703-S706 PolarHBondContact O-N 2.95Å; A703-S706 VanDerWaalsContact O-N 3.15Å; A703-S706 PolarHBondContact O-OG 2.75Å; S706-R708 VanDerWaalsContact C-N 3.32Å; S706-R708 PolarHBondContact O-N 3.24Å; S706-L709 PolarHBondContact O-N 2.72Å; S706-T710 WeakPolarHBondContact O-CB 3.39Å; S706-T710 VanDerWaalsContact O-CG2 3.28Å; S706-T710 WeakPolarHBondContact O-CG2 3.45Å; S706-T710 PolarHBondContact O-N 3.37Å; S706-T710 PolarHBondContact O-OG1 2.75Å
707	D	93.8	Very high	96.4	Very high	132 Å²	132	30.7 Å²	30.7	71%	0.706	16%	0.163	S	C	*	.	H	α-helix	trans	-60.9	-42	-179.1	-77.4	-13.3	0	0	0	111.7	F705 T710 S711	F705-D707 VanDerWaalsContact C-N 3.32Å; F705-D707 PolarHBondContact O-N 2.69Å; D707-T710 PolarHBondContact O-OG1 3.14Å; D707-S711 VanDerWaalsContact O-CB 3.24Å; D707-S711 WeakPolarHBondContact O-CB 3.48Å; D707-S711 PolarHBondContact O-N 3.34Å; D707-S711 PolarHBondContact O-OG 2.94Å
708	R	94.6	Very high	96.5	Very high	57 Å²	57	31.2 Å²	31.2	22%	0.215	17%	0.165	C	C	.	.	H	α-helix	trans	-70.1	-47	178.6	-173.2	60.9	161	-166.1	-9.2	111.4	D666 F705 S706 T710 S711 I712 A715 L716	D666-R708 HydrophobicContact CB-CG 4.45Å; D666-R708 PolarHBondContact O-NE 3.24Å; D666-R708 PolarHBondContact O-NH2 2.94Å; D666-R708 VanDerWaalsContact O-NH2 3.14Å; D666-R708 IonicContact OD2-CZ 3.84Å; D666-R708 VanDerWaalsContact OD2-CZ 3.22Å; D666-R708 IonicContact OD2-NE 3.73Å; D666-R708 PolarHBondContact OD2-NE 3.3Å; D666-R708 IonicContact OD2-NH1 2.86Å; D666-R708 IonicContact OD2-NH2 3.94Å; D666-R708 PolarHBondContact OD2-NH2 2.86Å; F705-R708 PolarHBondContact O-N 3.17Å; S706-R708 VanDerWaalsContact C-N 3.32Å; S706-R708 PolarHBondContact O-N 3.24Å; R708-T710 VanDerWaalsContact C-N 3.31Å; R708-T710 PolarHBondContact O-N 2.94Å; R708-S711 PolarHBondContact O-N 3.42Å; R708-I712 CarbonylContact O-C 3.39Å; R708-I712 VanDerWaalsContact O-C 3.24Å; R708-I712 PolarHBondContact O-N 3.4Å; R708-A715 VanDerWaalsContact NE-CB 3.32Å; R708-L716 HydrophobicContact CB-CD1 4.26Å; R708-L716 HydrophobicContact CG-CD1 3.58Å; R708-L716 HydrophobicContact CG-CG 4.36Å
709	L	97.2	Very high	96.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.7	-36.5	179.7	-71.2	172	0	0	0	112.1	P267 V272 F705 S706 P713 L716 M719 V720 L723	P267-L709 HydrophobicContact CG-CB 4.14Å; P267-L709 HydrophobicContact CG-CD1 4.29Å; V272-L709 HydrophobicContact CG1-CB 4.13Å; V272-L709 HydrophobicContact CG1-CD2 4.39Å; V272-L709 WeakPolarHBondContact CG1-O 3.48Å; V272-L709 HydrophobicContact CG2-CB 4.49Å; F705-L709 HydrophobicContact CB-CD1 4.23Å; F705-L709 HydrophobicContact CB-CG 4.33Å; F705-L709 WeakPolarHBondContact O-CB 3.46Å; F705-L709 WeakPolarHBondContact O-CG 3.49Å; F705-L709 PolarHBondContact O-N 3.32Å; S706-L709 PolarHBondContact O-N 2.72Å; L709-P713 VanDerWaalsContact O-CB 3.28Å; L709-P713 WeakPolarHBondContact O-CB 3.32Å; L709-P713 WeakPolarHBondContact O-CD 3.37Å; L709-P713 WeakPolarHBondContact O-CG 3.4Å; L709-L716 HydrophobicContact CD2-CB 4.35Å; L709-M719 HydrophobicContact CD1-CG 4.35Å; L709-M719 HydrophobicContact CD1-SD 4.17Å; L709-M719 HydrophobicContact CD2-CB 4.19Å; L709-M719 HydrophobicContact CD2-CG 4.18Å; L709-M719 HydrophobicContact CD2-SD 4.36Å; L709-M719 HydrophobicContact CG-SD 4.44Å; L709-V720 HydrophobicContact CD2-CG2 3.83Å; L709-L723 HydrophobicContact CD1-CD2 4.46Å
710	T	96.3	Very high	96.7	Very high	52 Å²	52	27.6 Å²	27.6	32%	0.319	15%	0.148	S	C	.	.	H	α-helix	trans	-76.8	-45.3	176.3	56.3	0	0	0	0	111.1	P267 R275 S706 D707 R708	P267-T710 HydrophobicContact CB-CG2 3.72Å; P267-T710 HydrophobicContact CG-CG2 4.25Å; R275-T710 WeakPolarHBondContact CD-O 3.45Å; R275-T710 PolarHBondContact NH1-O 2.82Å; S706-T710 WeakPolarHBondContact O-CB 3.39Å; S706-T710 VanDerWaalsContact O-CG2 3.28Å; S706-T710 WeakPolarHBondContact O-CG2 3.45Å; S706-T710 PolarHBondContact O-N 3.37Å; S706-T710 PolarHBondContact O-OG1 2.75Å; D707-T710 PolarHBondContact O-OG1 3.14Å; R708-T710 VanDerWaalsContact C-N 3.31Å; R708-T710 PolarHBondContact O-N 2.94Å
711	S	94.5	Very high	96.8	Very high	64 Å²	64	24.8 Å²	24.8	45%	0.448	13%	0.134	S	C	.	.	H	α-helix	trans	-77.4	-48.8	-174.6	61.1	0	0	0	0	114.2	D707 R708	D707-S711 VanDerWaalsContact O-CB 3.24Å; D707-S711 WeakPolarHBondContact O-CB 3.48Å; D707-S711 PolarHBondContact O-N 3.34Å; D707-S711 PolarHBondContact O-OG 2.94Å; R708-S711 PolarHBondContact O-N 3.42Å
712	I	95.4	Very high	96.8	Very high	73 Å²	73	24.9 Å²	24.9	37%	0.374	14%	0.135	S	C	.	.			trans	-139.6	64.4	-171.2	-47	177.2	0	0	0	109.8	R708 I714 A715	R708-I712 CarbonylContact O-C 3.39Å; R708-I712 VanDerWaalsContact O-C 3.24Å; R708-I712 PolarHBondContact O-N 3.4Å; I712-I714 HydrophobicContact CG2-CG2 3.91Å; I712-I714 PolarHBondContact O-N 3.49Å; I712-A715 HydrophobicContact CG2-CB 4.14Å; I712-A715 VanDerWaalsContact O-CB 3.28Å; I712-A715 WeakPolarHBondContact O-CB 3.48Å; I712-A715 PolarHBondContact O-N 2.84Å
713	P	97.1	Very high	96.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-63	-25.4	-177.3	21.3	-31.4	0	0	0	114.7	V272 R275 C276 L709 A715 L716 V720	V272-P713 HydrophobicContact CG1-CB 3.96Å; R275-P713 HydrophobicContact CB-CG 3.96Å; R275-P713 HydrophobicContact CG-CG 3.73Å; C276-P713 HydrophobicContact CB-CB 3.83Å; C276-P713 HydrophobicContact CB-CG 4.05Å; L709-P713 VanDerWaalsContact O-CB 3.28Å; L709-P713 WeakPolarHBondContact O-CB 3.32Å; L709-P713 WeakPolarHBondContact O-CD 3.37Å; L709-P713 WeakPolarHBondContact O-CG 3.4Å; P713-A715 PolarHBondContact O-N 3.11Å; P713-A715 VanDerWaalsContact O-N 3.08Å; P713-L716 CarbonylContact O-C 3.6Å; P713-L716 PolarHBondContact O-N 2.96Å; P713-V720 HydrophobicContact CB-CG2 3.87Å
714	I	96.2	Very high	96.9	Very high	48 Å²	48	25 Å²	25	25%	0.246	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-60.2	-16.5	173	-165.1	169.9	0	0	0	113.1	Q279 L280 I712 L716 P717	Q279-I714 HydrophobicContact CB-CB 3.96Å; Q279-I714 HydrophobicContact CB-CD1 3.98Å; Q279-I714 HydrophobicContact CB-CG2 4.2Å; Q279-I714 VanDerWaalsContact OE1-CB 3.32Å; Q279-I714 VanDerWaalsContact OE1-N 3.11Å; L280-I714 HydrophobicContact CD2-CD1 3.58Å; L280-I714 HydrophobicContact CD2-CG1 3.85Å; L280-I714 HydrophobicContact CG-CD1 3.85Å; L280-I714 HydrophobicContact CG-CG1 4.07Å; I712-I714 HydrophobicContact CG2-CG2 3.91Å; I712-I714 PolarHBondContact O-N 3.49Å; I714-L716 VanDerWaalsContact C-N 3.35Å; I714-P717 WeakPolarHBondContact O-CD 3.12Å
715	A	95.9	Very high	96.9	Very high	11 Å²	11	25 Å²	25	9%	0.091	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-75.1	-23.3	172.7	0	0	0	0	0	112.9	Q667 D668 R708 I712 P713	Q667-A715 CarbonylContact C-O 3.55Å; Q667-A715 VanDerWaalsContact CA-O 3.25Å; Q667-A715 WeakPolarHBondContact CA-O 3.43Å; D668-A715 PolarHBondContact N-O 3.17Å; R708-A715 VanDerWaalsContact NE-CB 3.32Å; I712-A715 HydrophobicContact CG2-CB 4.14Å; I712-A715 VanDerWaalsContact O-CB 3.28Å; I712-A715 WeakPolarHBondContact O-CB 3.48Å; I712-A715 PolarHBondContact O-N 2.84Å; P713-A715 PolarHBondContact O-N 3.11Å; P713-A715 VanDerWaalsContact O-N 3.08Å
716	L	97.8	Very high	96.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.			trans	-132.1	54.3	-178.9	-70.4	167.9	0	0	0	113.2	D666 D668 F705 R708 L709 P713 I714 E718 M719 V720	D666-L716 WeakPolarHBondContact O-CG 3.47Å; D668-L716 WeakPolarHBondContact OD2-CA 3.16Å; F705-L716 HydrophobicContact CD1-CD1 3.76Å; F705-L716 HydrophobicContact CE1-CD1 4.39Å; F705-L716 HydrophobicContact CG-CD1 4.49Å; R708-L716 HydrophobicContact CB-CD1 4.26Å; R708-L716 HydrophobicContact CG-CD1 3.58Å; R708-L716 HydrophobicContact CG-CG 4.36Å; L709-L716 HydrophobicContact CD2-CB 4.35Å; P713-L716 CarbonylContact O-C 3.6Å; P713-L716 PolarHBondContact O-N 2.96Å; I714-L716 VanDerWaalsContact C-N 3.35Å; L716-E718 PolarHBondContact O-N 3Å; L716-M719 HydrophobicContact CB-CB 3.85Å; L716-M719 HydrophobicContact CD1-CE 4.4Å; L716-M719 HydrophobicContact CD1-SD 4.05Å; L716-M719 PolarHBondContact O-N 3.28Å; L716-V720 WeakPolarHBondContact O-CG2 3.22Å; L716-V720 PolarHBondContact O-N 3.35Å
717	P	98.1	Very high	96.7	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-55.2	-34.5	-178.3	-19	29.8	0	0	0	113.9	V301 N302 F305 D668 I714 V720 R721	V301-P717 HydrophobicContact CB-CB 4.43Å; V301-P717 HydrophobicContact CG2-CG 4.27Å; N302-P717 WeakPolarHBondContact OD1-CG 3.45Å; F305-P717 HydrophobicContact CB-CB 3.74Å; F305-P717 HydrophobicContact CG-CB 4.2Å; D668-P717 WeakPolarHBondContact OD2-CD 3.28Å; I714-P717 WeakPolarHBondContact O-CD 3.12Å; P717-V720 WeakPolarHBondContact O-CB 3.38Å; P717-V720 PolarHBondContact O-N 3.41Å; P717-R721 WeakPolarHBondContact O-CG 3.4Å; P717-R721 PolarHBondContact O-N 2.7Å
718	E	98.3	Very high	96.6	Very high	29 Å²	29	25.9 Å²	25.9	14%	0.136	13%	0.132	C	C	.	.	H	α-helix	trans	-70	-37.7	177.9	-172.4	62.2	-161.2	0	0	111.3	V301 D668 P672 V677 L716 V720 R721 A722	V301-E718 HydrophobicContact CG1-CB 4.25Å; D668-E718 WeakPolarHBondContact OD2-CB 3.43Å; D668-E718 PolarHBondContact OD2-N 3.07Å; P672-E718 HydrophobicContact CB-CB 4.49Å; P672-E718 HydrophobicContact CB-CG 4.38Å; V677-E718 HydrophobicContact CG2-CG 4.48Å; L716-E718 PolarHBondContact O-N 3Å; E718-V720 VanDerWaalsContact C-N 3.34Å; E718-R721 VanDerWaalsContact CD-NH1 3.28Å; E718-R721 WeakPolarHBondContact O-CB 3.25Å; E718-R721 PolarHBondContact O-N 2.88Å; E718-R721 IonicContact OE1-CZ 3.54Å; E718-R721 IonicContact OE1-NH1 2.66Å; E718-R721 PolarHBondContact OE1-NH1 3.45Å; E718-R721 VanDerWaalsContact OE1-NH1 3.11Å; E718-R721 WeakPolarHBondContact OE2-CD 3.34Å; E718-R721 IonicContact OE2-CZ 3.16Å; E718-R721 IonicContact OE2-NE 3.33Å; E718-R721 IonicContact OE2-NH1 3.21Å; E718-R721 PolarHBondContact OE2-NH1 2.92Å; E718-A722 PolarHBondContact O-N 2.89Å
719	M	98.5	Very high	96.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69.6	-34.4	173.7	-164.5	172.2	-72.6	0	0	111.7	N675 S676 L701 L702 F705 L709 L716 R721 A722 L723	N675-M719 HydrophobicContact CB-CE 3.77Å; S676-M719 PolarHBondContact OG-N 2.94Å; L701-M719 HydrophobicContact CD2-CE 3.84Å; L701-M719 HydrophobicContact CD2-SD 4.27Å; L702-M719 HydrophobicContact CD2-CG 3.56Å; L702-M719 HydrophobicContact CD2-SD 4.31Å; F705-M719 HydrophobicContact CB-CE 4.46Å; F705-M719 HydrophobicContact CB-SD 3.51Å; F705-M719 VanDerWaalsContact CB-SD 3.51Å; F705-M719 HydrophobicContact CD1-CE 4.13Å; F705-M719 HydrophobicContact CD1-SD 4.14Å; F705-M719 HydrophobicContact CD2-CE 3.83Å; F705-M719 HydrophobicContact CD2-SD 3.91Å; F705-M719 HydrophobicContact CE1-CE 4.28Å; F705-M719 HydrophobicContact CE2-CE 4.01Å; F705-M719 HydrophobicContact CG-CE 3.89Å; F705-M719 HydrophobicContact CG-SD 3.6Å; F705-M719 VanDerWaalsContact CG-SD 3.6Å; F705-M719 HydrophobicContact CZ-CE 4.22Å; L709-M719 HydrophobicContact CD1-CG 4.35Å; L709-M719 HydrophobicContact CD1-SD 4.17Å; L709-M719 HydrophobicContact CD2-CB 4.19Å; L709-M719 HydrophobicContact CD2-CG 4.18Å; L709-M719 HydrophobicContact CD2-SD 4.36Å; L709-M719 HydrophobicContact CG-SD 4.44Å; L716-M719 HydrophobicContact CB-CB 3.85Å; L716-M719 HydrophobicContact CD1-CE 4.4Å; L716-M719 HydrophobicContact CD1-SD 4.05Å; L716-M719 PolarHBondContact O-N 3.28Å; M719-R721 VanDerWaalsContact C-N 3.28Å; M719-R721 PolarHBondContact O-N 3.07Å; M719-A722 WeakPolarHBondContact O-CB 3.33Å; M719-A722 PolarHBondContact O-N 3.49Å; M719-A722 VanDerWaalsContact O-N 3.16Å; M719-L723 PolarHBondContact O-N 2.9Å
720	V	98.7	Very high	96.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.4	-40.5	171.8	179.1	0	0	0	0	110.2	V272 A273 C276 F305 L709 P713 L716 P717 E718 A722 L723 M724	V272-V720 HydrophobicContact CG1-CG1 4.1Å; V272-V720 HydrophobicContact CG1-CG2 3.83Å; A273-V720 HydrophobicContact CB-CG1 4.12Å; C276-V720 HydrophobicContact CB-CG1 4.42Å; C276-V720 HydrophobicContact CB-CG2 4.46Å; F305-V720 HydrophobicContact CD2-CB 4.14Å; F305-V720 HydrophobicContact CD2-CG1 3.85Å; F305-V720 HydrophobicContact CE2-CB 4.22Å; F305-V720 HydrophobicContact CE2-CG1 3.46Å; F305-V720 VanDerWaalsContact CE2-CG1 3.46Å; F305-V720 HydrophobicContact CZ-CG1 4.47Å; L709-V720 HydrophobicContact CD2-CG2 3.83Å; P713-V720 HydrophobicContact CB-CG2 3.87Å; L716-V720 WeakPolarHBondContact O-CG2 3.22Å; L716-V720 PolarHBondContact O-N 3.35Å; P717-V720 WeakPolarHBondContact O-CB 3.38Å; P717-V720 PolarHBondContact O-N 3.41Å; E718-V720 VanDerWaalsContact C-N 3.34Å; V720-A722 PolarHBondContact O-N 3.41Å; V720-L723 WeakPolarHBondContact O-CB 3.49Å; V720-L723 PolarHBondContact O-N 2.79Å; V720-M724 HydrophobicContact CG1-SD 4.37Å; V720-M724 VanDerWaalsContact O-CG 3.28Å; V720-M724 WeakPolarHBondContact O-CG 3.17Å; V720-M724 PolarHBondContact O-N 3.12Å
721	R	98.3	Very high	96	Very high	33 Å²	33	23.7 Å²	23.7	13%	0.125	12%	0.123	C	C	.	.	H	α-helix	trans	-62.2	-40.9	173.3	-66.7	171.1	72.6	-143.7	-12.8	112.2	M304 F305 S308 P717 E718 M719 L723 M724 A725	M304-R721 PolarHBondContact O-NE 2.82Å; F305-R721 HydrophobicContact CB-CG 4.09Å; F305-R721 HydrophobicContact CD2-CG 4.24Å; S308-R721 PolarHBondContact OG-NE 2.8Å; S308-R721 VanDerWaalsContact OG-NE 3.08Å; P717-R721 WeakPolarHBondContact O-CG 3.4Å; P717-R721 PolarHBondContact O-N 2.7Å; E718-R721 VanDerWaalsContact CD-NH1 3.28Å; E718-R721 WeakPolarHBondContact O-CB 3.25Å; E718-R721 PolarHBondContact O-N 2.88Å; E718-R721 IonicContact OE1-CZ 3.54Å; E718-R721 IonicContact OE1-NH1 2.66Å; E718-R721 PolarHBondContact OE1-NH1 3.45Å; E718-R721 VanDerWaalsContact OE1-NH1 3.11Å; E718-R721 WeakPolarHBondContact OE2-CD 3.34Å; E718-R721 IonicContact OE2-CZ 3.16Å; E718-R721 IonicContact OE2-NE 3.33Å; E718-R721 IonicContact OE2-NH1 3.21Å; E718-R721 PolarHBondContact OE2-NH1 2.92Å; M719-R721 VanDerWaalsContact C-N 3.28Å; M719-R721 PolarHBondContact O-N 3.07Å; R721-L723 VanDerWaalsContact C-N 3.34Å; R721-M724 WeakPolarHBondContact O-CB 3.28Å; R721-M724 PolarHBondContact O-N 2.79Å; R721-A725 WeakPolarHBondContact O-CB 3.43Å; R721-A725 PolarHBondContact O-N 3.49Å
722	A	98.1	Very high	96.1	Very high	2 Å²	2	23 Å²	23	2%	0.017	11%	0.113	C	C	.	.	H	α-helix	trans	-64.2	-39	174.7	0	0	0	0	0	112	A679 L702 E718 M719 V720 A725 Q726	A679-A722 HydrophobicContact CB-CB 3.65Å; L702-A722 HydrophobicContact CD2-CB 4.38Å; E718-A722 PolarHBondContact O-N 2.89Å; M719-A722 WeakPolarHBondContact O-CB 3.33Å; M719-A722 PolarHBondContact O-N 3.49Å; M719-A722 VanDerWaalsContact O-N 3.16Å; V720-A722 PolarHBondContact O-N 3.41Å; A722-A725 WeakPolarHBondContact O-CB 3.39Å; A722-A725 PolarHBondContact O-N 2.79Å; A722-Q726 PolarHBondContact O-N 2.97Å
723	L	98.4	Very high	96.2	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-62.4	-43.1	173.4	-176.5	65.4	0	0	0	111.8	P266 P267 A269 V272 L702 L709 M719 V720 R721 Q726 H727	P266-L723 HydrophobicContact CB-CD1 3.73Å; P267-L723 HydrophobicContact CG-CD2 4.02Å; A269-L723 HydrophobicContact CB-CD2 4.26Å; A269-L723 HydrophobicContact CB-CG 3.84Å; V272-L723 HydrophobicContact CB-CD2 3.87Å; V272-L723 HydrophobicContact CG1-CD2 3.91Å; V272-L723 HydrophobicContact CG2-CD2 3.99Å; L702-L723 HydrophobicContact CB-CD1 4.45Å; L702-L723 HydrophobicContact CD1-CB 4.46Å; L702-L723 HydrophobicContact CD1-CD1 4.03Å; L702-L723 HydrophobicContact CD2-CB 4.21Å; L709-L723 HydrophobicContact CD1-CD2 4.46Å; M719-L723 PolarHBondContact O-N 2.9Å; V720-L723 WeakPolarHBondContact O-CB 3.49Å; V720-L723 PolarHBondContact O-N 2.79Å; R721-L723 VanDerWaalsContact C-N 3.34Å; L723-Q726 PolarHBondContact O-N 3.29Å; L723-H727 PolarHBondContact O-N 3.33Å
724	M	98.1	Very high	96.1	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-61.5	-45.7	173.2	-67.2	169.4	72.5	0	0	111.3	A273 F305 V312 V720 R721 Q726 H727 Y728 F758	A273-M724 HydrophobicContact CB-CG 4.07Å; A273-M724 HydrophobicContact CB-SD 3.96Å; F305-M724 HydrophobicContact CD2-SD 4.38Å; F305-M724 HydrophobicContact CE2-SD 4.03Å; V312-M724 HydrophobicContact CG2-CE 3.58Å; V720-M724 HydrophobicContact CG1-SD 4.37Å; V720-M724 VanDerWaalsContact O-CG 3.28Å; V720-M724 WeakPolarHBondContact O-CG 3.17Å; V720-M724 PolarHBondContact O-N 3.12Å; R721-M724 WeakPolarHBondContact O-CB 3.28Å; R721-M724 PolarHBondContact O-N 2.79Å; M724-Q726 PolarHBondContact O-N 3.2Å; M724-H727 PolarHBondContact O-N 3.41Å; M724-H727 VanDerWaalsContact O-N 3.09Å; M724-Y728 HydrophobicContact CB-CD2 4.11Å; M724-Y728 HydrophobicContact CB-CE2 4.27Å; M724-Y728 HydrophobicContact CE-CE2 4.36Å; M724-Y728 HydrophobicContact CG-CE2 4.47Å; M724-Y728 WeakPolarHBondContact O-CD2 3.5Å; M724-Y728 PolarHBondContact O-N 2.93Å; M724-F758 HydrophobicContact CB-CE1 4.08Å; M724-F758 HydrophobicContact CB-CE2 4.19Å; M724-F758 HydrophobicContact CB-CZ 3.5Å; M724-F758 VanDerWaalsContact CB-CZ 3.5Å; M724-F758 HydrophobicContact CE-CE2 4.36Å; M724-F758 HydrophobicContact CE-CZ 3.98Å; M724-F758 HydrophobicContact SD-CZ 4.49Å
725	A	96.1	Very high	96.2	Very high	6 Å²	6	17.3 Å²	17.3	5%	0.05	8%	0.083	C	C	.	.	H	α-helix	trans	-59.8	-36.1	177.6	0	0	0	0	0	112.3	L683 R721 A722 T729 L730 F758	L683-A725 HydrophobicContact CD1-CB 4.15Å; R721-A725 WeakPolarHBondContact O-CB 3.43Å; R721-A725 PolarHBondContact O-N 3.49Å; A722-A725 WeakPolarHBondContact O-CB 3.39Å; A722-A725 PolarHBondContact O-N 2.79Å; A725-T729 CarbonylContact O-C 3.47Å; A725-T729 WeakPolarHBondContact O-CA 3.5Å; A725-T729 PolarHBondContact O-N 2.85Å; A725-L730 HydrophobicContact CB-CD2 4.02Å; A725-F758 HydrophobicContact CB-CD1 3.47Å; A725-F758 VanDerWaalsContact CB-CD1 3.47Å; A725-F758 HydrophobicContact CB-CE1 3.81Å; A725-F758 HydrophobicContact CB-CG 4.32Å
726	Q	94.6	Very high	96.1	Very high	34 Å²	34	16.9 Å²	16.9	16%	0.159	8%	0.08	C	C	.	.	H	α-helix	trans	-70.6	-36.6	175.1	-166.7	171.7	-82	0	0	112.7	L683 S698 L702 A722 L723 M724	L683-Q726 HydrophobicContact CD1-CB 4Å; L683-Q726 HydrophobicContact CD2-CB 4.29Å; L683-Q726 HydrophobicContact CD2-CG 4.11Å; S698-Q726 PolarHBondContact OG-OE1 3.47Å; L702-Q726 HydrophobicContact CD1-CB 4.18Å; L702-Q726 VanDerWaalsContact CD1-OE1 3.31Å; A722-Q726 PolarHBondContact O-N 2.97Å; L723-Q726 PolarHBondContact O-N 3.29Å; M724-Q726 PolarHBondContact O-N 3.2Å
727	H	94.6	Very high	95.9	Very high	92 Å²	92	17 Å²	17	43%	0.426	8%	0.081	S	C	.	.	H	α-helix	trans	-76.1	-46.4	-179.4	178.7	76.5	0	0	0	113	A269 L723 M724 T729	A269-H727 HydrophobicContact CB-CB 3.42Å; A269-H727 VanDerWaalsContact CB-CB 3.42Å; L723-H727 PolarHBondContact O-N 3.33Å; M724-H727 PolarHBondContact O-N 3.41Å; M724-H727 VanDerWaalsContact O-N 3.09Å; H727-T729 VanDerWaalsContact C-N 3.3Å
728	Y	91.6	Very high	95.6	Very high	37 Å²	37	22.2 Å²	22.2	15%	0.145	11%	0.105	C	C	.	.	H	α-helix	trans	-85.4	-5	-179.6	-63.7	-68.5	0	0	0	113.6	V312 M724 F758 Q795 L820	V312-Y728 HydrophobicContact CB-CE1 4.34Å; V312-Y728 HydrophobicContact CB-CE2 4.07Å; V312-Y728 HydrophobicContact CG1-CD1 4.36Å; V312-Y728 HydrophobicContact CG1-CD2 3.88Å; V312-Y728 HydrophobicContact CG1-CE1 4.38Å; V312-Y728 HydrophobicContact CG1-CE2 3.93Å; V312-Y728 HydrophobicContact CG1-CG 4.12Å; V312-Y728 HydrophobicContact CG2-CE2 3.77Å; M724-Y728 HydrophobicContact CB-CD2 4.11Å; M724-Y728 HydrophobicContact CB-CE2 4.27Å; M724-Y728 HydrophobicContact CE-CE2 4.36Å; M724-Y728 HydrophobicContact CG-CE2 4.47Å; M724-Y728 WeakPolarHBondContact O-CD2 3.5Å; M724-Y728 PolarHBondContact O-N 2.93Å; Y728-F758 HydrophobicContact CD2-CD2 4.44Å; Y728-F758 AromaticContact CD2-CE2 3.95Å; Y728-F758 HydrophobicContact CD2-CE2 3.95Å; Y728-Q795 PolarHBondContact O-NE2 2.87Å; Y728-L820 HydrophobicContact CD1-CD1 3.85Å; Y728-L820 HydrophobicContact CE1-CD1 4.1Å
729	T	89	Confident	95	Very high	33 Å²	33	25.4 Å²	25.4	20%	0.202	12%	0.116	C	C	.	.			trans	58.5	154.8	-177.6	71.7	0	0	0	0	114.7	A725 H727 Q795 D796	A725-T729 CarbonylContact O-C 3.47Å; A725-T729 WeakPolarHBondContact O-CA 3.5Å; A725-T729 PolarHBondContact O-N 2.85Å; H727-T729 VanDerWaalsContact C-N 3.3Å; T729-Q795 WeakPolarHBondContact OG1-CG 3.49Å; T729-Q795 PolarHBondContact OG1-NE2 3.43Å; T729-D796 VanDerWaalsContact CB-OD1 3.27Å; T729-D796 WeakPolarHBondContact CB-OD1 3.43Å; T729-D796 WeakPolarHBondContact CG2-OD1 3.36Å; T729-D796 PolarHBondContact OG1-OD1 3.15Å
730	L	93.6	Very high	94.5	Very high	7 Å²	7	33.2 Å²	33.2	4%	0.037	15%	0.152	C	C	.	.			trans	-84.4	127.2	179.8	-57.7	-178.9	0	0	0	109.8	L683 R684 A725 Q732 F758 V760	L683-L730 HydrophobicContact CB-CD1 4.18Å; R684-L730 HydrophobicContact CG-CD1 4.06Å; A725-L730 HydrophobicContact CB-CD2 4.02Å; L730-Q732 PolarHBondContact O-N 2.71Å; L730-F758 HydrophobicContact CD2-CB 4Å; L730-V760 HydrophobicContact CD1-CG1 3.9Å
731	K	94.2	Very high	94.3	Very high	22 Å²	22	34.7 Å²	34.7	10%	0.096	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	120.8	166.5	-65.6	-179.1	-176.5	177	0	109.1	F758 K759 V760 C794 L813	K731-F758 PolarHBondContact N-O 3.4Å; K731-K759 HydrophobicContact CB-CB 4.35Å; K731-K759 CarbonylContact O-C 3.58Å; K731-K759 WeakPolarHBondContact O-CA 3.45Å; K731-V760 PolarHBondContact O-N 3.3Å; K731-C794 CarbonylContact C-O 3.44Å; K731-L813 PolarHBondContact NZ-O 3.22Å; K731-L813 VanDerWaalsContact NZ-O 3.16Å
732	Q	95.4	Very high	94.1	Very high	51 Å²	51	38.3 Å²	38.3	24%	0.238	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	112	171.5	-58.1	-179.7	18.5	0	0	108.8	H687 L730 V760 M762 V793 C794	H687-Q732 PolarHBondContact CD2-NE2 3.05Å; L730-Q732 PolarHBondContact O-N 2.71Å; Q732-V760 HydrophobicContact CB-CG2 4.19Å; Q732-V760 HydrophobicContact CG-CG2 3.84Å; Q732-M762 HydrophobicContact CG-CE 4.44Å; Q732-V793 WeakPolarHBondContact O-CA 3.45Å; Q732-C794 HydrophobicContact CB-CB 4.33Å; Q732-C794 PolarHBondContact N-O 3.31Å; Q732-C794 PolarHBondContact O-N 3.49Å
733	I	96.9	Very high	94	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	106.9	178	-53.6	172.2	0	0	0	107.6	I735 V751 K759 V760 V761 M762 Y792 V793 L813	I733-I735 HydrophobicContact CG2-CG1 4.45Å; I733-V751 HydrophobicContact CD1-CG1 3.82Å; I733-V751 HydrophobicContact CD1-CG2 4.29Å; I733-V751 HydrophobicContact CG2-CG2 3.86Å; I733-K759 HydrophobicContact CD1-CB 4.24Å; I733-K759 HydrophobicContact CD1-CD 3.82Å; I733-V760 PolarHBondContact N-O 3.4Å; I733-V761 CarbonylContact O-C 3.51Å; I733-V761 WeakPolarHBondContact O-CA 3.39Å; I733-M762 PolarHBondContact O-N 2.88Å; I733-Y792 WeakPolarHBondContact CA-O 3.29Å; I733-V793 HydrophobicContact CG1-CG1 4.5Å; I733-V793 HydrophobicContact CG1-CG2 4.38Å; I733-V793 HydrophobicContact CG2-CG2 4.37Å; I733-L813 HydrophobicContact CD1-CD1 4.14Å; I733-L813 HydrophobicContact CD1-CD2 3.53Å; I733-L813 HydrophobicContact CG1-CD2 4.01Å
734	V	96.6	Very high	93.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	119.3	179.8	-174	0	0	0	0	108.9	M762 T764 L779 M782 A791 Y792	V734-M762 CarbonylContact C-O 3.59Å; V734-M762 WeakPolarHBondContact CA-O 3.47Å; V734-M762 HydrophobicContact CG2-CB 4.35Å; V734-T764 HydrophobicContact CG1-CG2 4Å; V734-L779 HydrophobicContact CB-CD2 4.48Å; V734-L779 HydrophobicContact CG1-CD2 3.98Å; V734-L779 HydrophobicContact CG2-CD2 3.69Å; V734-M782 HydrophobicContact CB-SD 3.84Å; V734-M782 HydrophobicContact CG1-SD 3.83Å; V734-M782 HydrophobicContact CG2-SD 3.79Å; V734-A791 CarbonylContact O-C 3.48Å; V734-A791 VanDerWaalsContact O-CA 3.31Å; V734-A791 WeakPolarHBondContact O-CA 3.43Å; V734-Y792 PolarHBondContact N-O 3.23Å; V734-Y792 PolarHBondContact O-N 3.38Å
735	I	96.8	Very high	93.7	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.9	175	-65.7	167.1	0	0	0	108.4	I733 T744 L747 L748 V751 V761 M762 H763 T764 A791	I733-I735 HydrophobicContact CG2-CG1 4.45Å; I735-T744 HydrophobicContact CG2-CG2 3.92Å; I735-L747 HydrophobicContact CD1-CB 4.16Å; I735-L747 HydrophobicContact CG1-CB 4.48Å; I735-L747 HydrophobicContact CG2-CB 4.46Å; I735-L747 HydrophobicContact CG2-CD1 4.31Å; I735-L748 HydrophobicContact CD1-CD2 3.37Å; I735-L748 HydrophobicContact CD1-CG 3.79Å; I735-V751 HydrophobicContact CD1-CG2 4.24Å; I735-V761 HydrophobicContact CD1-CG1 4.47Å; I735-M762 PolarHBondContact N-O 3.33Å; I735-H763 WeakPolarHBondContact O-CA 3.33Å; I735-T764 PolarHBondContact O-N 2.84Å; I735-A791 HydrophobicContact CG1-CB 4.24Å
736	C	95.4	Very high	93.7	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.02	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116	177.5	-55.8	0	0	0	0	108.6	T764 Q784 A789 T790 Y792	C736-T764 VanDerWaalsContact CA-O 3.31Å; C736-T764 WeakPolarHBondContact CA-O 3.33Å; C736-T764 HydrophobicContact CB-CG2 4.04Å; C736-T764 WeakPolarHBondContact SG-CG2 3.36Å; C736-Q784 HydrophobicContact CB-CG 4.44Å; C736-A789 CarbonylContact O-C 3.55Å; C736-A789 VanDerWaalsContact O-CA 3.26Å; C736-A789 WeakPolarHBondContact O-CA 3.42Å; C736-T790 PolarHBondContact N-O 2.79Å; C736-T790 PolarHBondContact O-N 2.93Å; C736-Y792 HydrophobicContact CB-CE2 4.49Å
737	G	93.6	Very high	93.9	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.01	23%	0.226	C	C	.	.	S	Bend	trans	175.3	172.4	-176.5	0	0	0	0	0	113.1	H763 T764	G737-H763 PolarHBondContact O-CE1 2.85Å; G737-H763 PolarHBondContact O-NE2 2.63Å; G737-T764 PolarHBondContact N-O 2.97Å
738	Q	91.4	Very high	94	Very high	111 Å²	111	38.8 Å²	38.8	52%	0.519	21%	0.211	S	C	.	.			trans	-78.5	129.3	168.8	-67.9	-62.1	-34.7	0	0	108.6	E740 S741 T744	Q738-E740 VanDerWaalsContact C-N 3.28Å; Q738-E740 PolarHBondContact O-N 3.08Å; Q738-S741 WeakPolarHBondContact O-CB 3.32Å; Q738-S741 PolarHBondContact O-N 2.96Å; Q738-S741 PolarHBondContact O-OG 3.34Å; Q738-T744 VanDerWaalsContact O-CB 3.28Å; Q738-T744 WeakPolarHBondContact O-CB 3.3Å; Q738-T744 PolarHBondContact O-OG1 3.47Å
739	R	86.2	Confident	94.2	Very high	96 Å²	96	39.6 Å²	39.6	36%	0.362	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-43.1	-172.5	179.1	-177.4	165.2	147.5	8.5	113.7	T621 S741	T621-R739 PolarHBondContact O-NH1 3.23Å; T621-R739 PolarHBondContact O-NH2 3.23Å; R739-S741 VanDerWaalsContact C-N 3.3Å; R739-S741 PolarHBondContact O-N 3.1Å
740	E	87.7	Confident	94.5	Very high	165 Å²	165	38 Å²	38	77%	0.771	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	3.3	-175.2	-53.3	-53.5	143.3	0	0	113.2	Q738	Q738-E740 VanDerWaalsContact C-N 3.28Å; Q738-E740 PolarHBondContact O-N 3.08Å
741	S	93.6	Very high	94.7	Very high	30 Å²	30	37.7 Å²	37.7	21%	0.21	21%	0.214	C	C	.	.	S	Bend	trans	-81.6	143.9	179.5	70.9	0	0	0	0	111.8	Q738 R739 D743 T744 A745	Q738-S741 WeakPolarHBondContact O-CB 3.32Å; Q738-S741 PolarHBondContact O-N 2.96Å; Q738-S741 PolarHBondContact O-OG 3.34Å; R739-S741 VanDerWaalsContact C-N 3.3Å; R739-S741 PolarHBondContact O-N 3.1Å; S741-D743 VanDerWaalsContact C-N 3.28Å; S741-D743 WeakPolarHBondContact CB-OD1 3.46Å; S741-D743 PolarHBondContact O-N 2.96Å; S741-D743 PolarHBondContact OG-OD1 3.49Å; S741-T744 PolarHBondContact O-N 2.68Å; S741-T744 PolarHBondContact OG-OG1 3.42Å; S741-A745 PolarHBondContact O-N 2.87Å
742	S	94.3	Very high	94.8	Very high	110 Å²	110	38.1 Å²	38.1	77%	0.769	22%	0.217	S	C	*	.	H	α-helix	trans	-65.3	-30	-174	55.1	0	0	0	0	113.8	G746	S742-G746 PolarHBondContact O-N 3.25Å
743	D	95.7	Very high	94.7	Very high	54 Å²	54	37.1 Å²	37.1	29%	0.289	22%	0.216	S	C	.	.	H	α-helix	trans	-69.5	-44.4	175	56.3	-13.6	0	0	0	111.7	S741 A745 G746 L747 A789	S741-D743 VanDerWaalsContact C-N 3.28Å; S741-D743 WeakPolarHBondContact CB-OD1 3.46Å; S741-D743 PolarHBondContact O-N 2.96Å; S741-D743 PolarHBondContact OG-OD1 3.49Å; D743-A745 PolarHBondContact O-N 2.86Å; D743-G746 PolarHBondContact O-N 3.02Å; D743-G746 VanDerWaalsContact O-N 3.16Å; D743-L747 PolarHBondContact O-N 3.41Å; D743-A789 HydrophobicContact CB-CB 3.94Å; D743-A789 VanDerWaalsContact CG-CB 3.44Å; D743-A789 WeakPolarHBondContact OD2-CB 3.45Å; D743-A789 PolarHBondContact OD2-N 3.35Å
744	T	95.9	Very high	94.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.5	-47.5	171.9	-57	0	0	0	0	110.8	I735 Q738 S741 G746 L747 L748 A789	I735-T744 HydrophobicContact CG2-CG2 3.92Å; Q738-T744 VanDerWaalsContact O-CB 3.28Å; Q738-T744 WeakPolarHBondContact O-CB 3.3Å; Q738-T744 PolarHBondContact O-OG1 3.47Å; S741-T744 PolarHBondContact O-N 2.68Å; S741-T744 PolarHBondContact OG-OG1 3.42Å; T744-G746 VanDerWaalsContact C-N 3.29Å; T744-G746 PolarHBondContact O-N 3.01Å; T744-L747 PolarHBondContact O-N 3.38Å; T744-L748 HydrophobicContact CG2-CD1 4.06Å; T744-L748 WeakPolarHBondContact O-CG 3.33Å; T744-L748 PolarHBondContact O-N 2.87Å; T744-A789 WeakPolarHBondContact OG1-CB 3.32Å
745	A	94.8	Very high	94.5	Very high	51 Å²	51	39.4 Å²	39.4	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-59.9	-38.6	176.1	0	0	0	0	0	112.1	S741 D743 L748 A749	S741-A745 PolarHBondContact O-N 2.87Å; D743-A745 PolarHBondContact O-N 2.86Å; A745-L748 PolarHBondContact O-N 3.23Å; A745-A749 VanDerWaalsContact O-CB 3.3Å; A745-A749 WeakPolarHBondContact O-CB 3.49Å; A745-A749 PolarHBondContact O-N 2.92Å
746	G	96.6	Very high	94.3	Very high	23 Å²	23	40.6 Å²	40.6	24%	0.237	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-43.9	175.5	0	0	0	0	0	113.4	S742 D743 T744 A749 A750	S742-G746 PolarHBondContact O-N 3.25Å; D743-G746 PolarHBondContact O-N 3.02Å; D743-G746 VanDerWaalsContact O-N 3.16Å; T744-G746 VanDerWaalsContact C-N 3.29Å; T744-G746 PolarHBondContact O-N 3.01Å; G746-A749 PolarHBondContact O-N 3.37Å; G746-A750 PolarHBondContact O-N 2.96Å
747	L	97.6	Very high	94.2	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-43.1	175.9	-66.7	175.6	0	0	0	111.5	I735 D743 T744 A750 V751 A789 A791 P806 L809	I735-L747 HydrophobicContact CD1-CB 4.16Å; I735-L747 HydrophobicContact CG1-CB 4.48Å; I735-L747 HydrophobicContact CG2-CB 4.46Å; I735-L747 HydrophobicContact CG2-CD1 4.31Å; D743-L747 PolarHBondContact O-N 3.41Å; T744-L747 PolarHBondContact O-N 3.38Å; L747-A750 WeakPolarHBondContact O-CB 3.31Å; L747-A750 PolarHBondContact O-N 2.91Å; L747-V751 WeakPolarHBondContact O-CG2 3.27Å; L747-V751 PolarHBondContact O-N 2.82Å; L747-V751 VanDerWaalsContact O-N 3.08Å; L747-A789 HydrophobicContact CD1-CB 3.88Å; L747-A791 HydrophobicContact CD1-CB 4.23Å; L747-A791 HydrophobicContact CD2-CB 4.45Å; L747-P806 HydrophobicContact CD2-CG 4.32Å; L747-L809 HydrophobicContact CB-CD2 4.16Å; L747-L809 HydrophobicContact CD2-CB 4.37Å; L747-L809 HydrophobicContact CD2-CD2 3.96Å
748	L	96.6	Very high	94.2	Very high	21 Å²	21	42.8 Å²	42.8	11%	0.11	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-44.5	175.6	-73.9	170.8	0	0	0	112.2	F622 I735 T744 A745 A750 V751 N752 V761	F622-L748 HydrophobicContact CD2-CD1 4.32Å; F622-L748 HydrophobicContact CD2-CD2 4.46Å; F622-L748 HydrophobicContact CE1-CD2 4.48Å; F622-L748 HydrophobicContact CE2-CD1 3.73Å; F622-L748 HydrophobicContact CE2-CD2 3.3Å; F622-L748 HydrophobicContact CE2-CG 4.17Å; F622-L748 HydrophobicContact CZ-CD2 3.3Å; I735-L748 HydrophobicContact CD1-CD2 3.37Å; I735-L748 HydrophobicContact CD1-CG 3.79Å; T744-L748 HydrophobicContact CG2-CD1 4.06Å; T744-L748 WeakPolarHBondContact O-CG 3.33Å; T744-L748 PolarHBondContact O-N 2.87Å; A745-L748 PolarHBondContact O-N 3.23Å; L748-A750 VanDerWaalsContact C-N 3.28Å; L748-A750 PolarHBondContact O-N 3.36Å; L748-V751 PolarHBondContact O-N 3.22Å; L748-V751 VanDerWaalsContact O-N 3.15Å; L748-N752 WeakPolarHBondContact O-CB 3.18Å; L748-N752 VanDerWaalsContact O-CG 3.31Å; L748-N752 PolarHBondContact O-N 2.97Å; L748-V761 HydrophobicContact CD2-CG1 4.37Å
749	A	95.6	Very high	94.4	Very high	53 Å²	53	38.9 Å²	38.9	44%	0.438	23%	0.229	S	C	.	.	H	α-helix	trans	-61.6	-36.1	175.6	0	0	0	0	0	112	A745 G746 N752 S753	A745-A749 VanDerWaalsContact O-CB 3.3Å; A745-A749 WeakPolarHBondContact O-CB 3.49Å; A745-A749 PolarHBondContact O-N 2.92Å; G746-A749 PolarHBondContact O-N 3.37Å; A749-N752 PolarHBondContact O-N 3.39Å; A749-S753 VanDerWaalsContact O-CB 3.27Å; A749-S753 WeakPolarHBondContact O-CB 3.3Å; A749-S753 PolarHBondContact O-N 3.36Å; A749-S753 PolarHBondContact O-OG 2.99Å
750	A	96.8	Very high	94.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-61.2	-47.9	172	0	0	0	0	0	112	G746 L747 L748 N752 S753 P806 L809 R810	G746-A750 PolarHBondContact O-N 2.96Å; L747-A750 WeakPolarHBondContact O-CB 3.31Å; L747-A750 PolarHBondContact O-N 2.91Å; L748-A750 VanDerWaalsContact C-N 3.28Å; L748-A750 PolarHBondContact O-N 3.36Å; A750-N752 PolarHBondContact O-N 3.32Å; A750-S753 PolarHBondContact O-N 2.91Å; A750-S753 PolarHBondContact O-OG 2.86Å; A750-P806 HydrophobicContact CB-CB 3.96Å; A750-L809 HydrophobicContact CB-CD2 4.41Å; A750-R810 HydrophobicContact CB-CG 3.75Å
751	V	96.6	Very high	95.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.1	-43.6	177.2	176.6	0	0	0	0	111.8	I733 I735 L747 L748 S753 L754 K759 V761 L809 L813	I733-V751 HydrophobicContact CD1-CG1 3.82Å; I733-V751 HydrophobicContact CD1-CG2 4.29Å; I733-V751 HydrophobicContact CG2-CG2 3.86Å; I735-V751 HydrophobicContact CD1-CG2 4.24Å; L747-V751 WeakPolarHBondContact O-CG2 3.27Å; L747-V751 PolarHBondContact O-N 2.82Å; L747-V751 VanDerWaalsContact O-N 3.08Å; L748-V751 PolarHBondContact O-N 3.22Å; L748-V751 VanDerWaalsContact O-N 3.15Å; V751-S753 VanDerWaalsContact C-N 3.34Å; V751-L754 PolarHBondContact O-N 3.15Å; V751-K759 HydrophobicContact CG1-CD 4.2Å; V751-K759 VanDerWaalsContact CG1-NZ 3.34Å; V751-K759 PolarHBondContact O-NZ 3.01Å; V751-V761 HydrophobicContact CG1-CG2 3.77Å; V751-L809 HydrophobicContact CG2-CD2 3.69Å; V751-L809 HydrophobicContact CG2-CG 4.43Å; V751-L813 HydrophobicContact CG2-CD1 4.13Å
752	N	95.8	Very high	95.5	Very high	30 Å²	30	25.1 Å²	25.1	16%	0.16	17%	0.166	C	C	.	.	H	α-helix	trans	-75	-23.3	-176.3	-70.2	-13.3	0	0	0	112.9	Q379 A551 L748 A749 A750 L754	Q379-N752 PolarHBondContact NE2-O 3Å; A551-N752 PolarHBondContact O-ND2 2.9Å; A551-N752 VanDerWaalsContact O-ND2 3.14Å; L748-N752 WeakPolarHBondContact O-CB 3.18Å; L748-N752 VanDerWaalsContact O-CG 3.31Å; L748-N752 PolarHBondContact O-N 2.97Å; A749-N752 PolarHBondContact O-N 3.39Å; A750-N752 PolarHBondContact O-N 3.32Å; N752-L754 VanDerWaalsContact C-N 3.27Å; N752-L754 PolarHBondContact O-N 2.75Å
753	S	94.5	Very high	95.5	Very high	31 Å²	31	21.1 Å²	21.1	22%	0.217	14%	0.135	C	C	.	.	H	α-helix	trans	-73.7	-16.5	176.6	70.2	0	0	0	0	114.4	A749 A750 V751 R810	A749-S753 VanDerWaalsContact O-CB 3.27Å; A749-S753 WeakPolarHBondContact O-CB 3.3Å; A749-S753 PolarHBondContact O-N 3.36Å; A749-S753 PolarHBondContact O-OG 2.99Å; A750-S753 PolarHBondContact O-N 2.91Å; A750-S753 PolarHBondContact O-OG 2.86Å; V751-S753 VanDerWaalsContact C-N 3.34Å; S753-R810 PolarHBondContact OG-NH1 2.87Å; S753-R810 VanDerWaalsContact OG-NH1 3.11Å; S753-R810 PolarHBondContact OG-NH2 3.05Å
754	L	94.8	Very high	95.3	Very high	24 Å²	24	18.7 Å²	18.7	13%	0.126	12%	0.122	C	C	.	.	S	Bend	trans	-106.2	135.2	-174.3	-63.3	179.4	0	0	0	111.4	Q379 V751 N752 S756 R810 L813 L814	Q379-L754 PolarHBondContact NE2-O 2.88Å; V751-L754 PolarHBondContact O-N 3.15Å; N752-L754 VanDerWaalsContact C-N 3.27Å; N752-L754 PolarHBondContact O-N 2.75Å; L754-S756 PolarHBondContact O-N 2.9Å; L754-R810 HydrophobicContact CD1-CB 4.15Å; L754-R810 HydrophobicContact CD1-CG 4.09Å; L754-L813 HydrophobicContact CD1-CB 3.92Å; L754-L813 HydrophobicContact CD1-CD1 4.18Å; L754-L814 HydrophobicContact CD1-CD2 4.39Å; L754-L814 HydrophobicContact CD1-CG 4.12Å; L754-L814 HydrophobicContact CD2-CD1 4.37Å; L754-L814 HydrophobicContact CD2-CD2 4.19Å; L754-L814 HydrophobicContact CD2-CG 4.43Å
755	F	95.2	Very high	94.6	Very high	24 Å²	24	22.3 Å²	22.3	11%	0.105	14%	0.141	C	C	.	.			trans	-74.5	107.4	168	-176.6	-103.3	0	0	0	109.2	M304 M307 W310 Q379 V380 P757	M304-F755 HydrophobicContact CE-CE2 4.29Å; M307-F755 HydrophobicContact CB-CE1 3.88Å; M307-F755 HydrophobicContact CB-CE2 4.43Å; M307-F755 HydrophobicContact CB-CZ 3.71Å; M307-F755 WeakPolarHBondContact O-CE1 3.36Å; W310-F755 HydrophobicContact CE3-CD1 4.45Å; W310-F755 HydrophobicContact CZ3-CD1 4.14Å; Q379-F755 HydrophobicContact CB-CB 3.77Å; V380-F755 HydrophobicContact CB-CB 4.44Å; V380-F755 HydrophobicContact CG1-CB 3.34Å; V380-F755 HydrophobicContact CG1-CD1 3.42Å; V380-F755 VanDerWaalsContact CG1-CD1 3.42Å; V380-F755 HydrophobicContact CG1-CD2 4.05Å; V380-F755 HydrophobicContact CG1-CE1 4.2Å; V380-F755 HydrophobicContact CG1-CG 3.32Å; F755-P757 HydrophobicContact CD1-CG 4.44Å; F755-P757 HydrophobicContact CE1-CB 4.05Å; F755-P757 HydrophobicContact CE1-CG 3.73Å; F755-P757 HydrophobicContact CZ-CB 3.85Å; F755-P757 HydrophobicContact CZ-CG 4.06Å
756	S	92.1	Very high	93.9	Very high	24 Å²	24	22.2 Å²	22.2	17%	0.168	15%	0.146	C	C	.	.			trans	-133.1	98.6	173.3	-179.4	0	0	0	0	106.8	L754 F758 K759	L754-S756 PolarHBondContact O-N 2.9Å; S756-F758 VanDerWaalsContact C-N 3.27Å; S756-F758 PolarHBondContact O-N 3.28Å; S756-K759 WeakPolarHBondContact O-CG 3.33Å
757	P	91.9	Very high	93.3	Very high	34 Å²	34	24.4 Å²	24.4	22%	0.221	15%	0.152	C	C	.	.	S	Bend	trans	-76	-16.7	-172	28.9	-33.9	0	0	0	113	S308 S311 F755	S308-P757 WeakPolarHBondContact OG-CB 3.38Å; S311-P757 VanDerWaalsContact OG-CG 3.29Å; S311-P757 WeakPolarHBondContact OG-CG 3.29Å; F755-P757 HydrophobicContact CD1-CG 4.44Å; F755-P757 HydrophobicContact CE1-CB 4.05Å; F755-P757 HydrophobicContact CE1-CG 3.73Å; F755-P757 HydrophobicContact CZ-CB 3.85Å; F755-P757 HydrophobicContact CZ-CG 4.06Å
758	F	94.8	Very high	92.8	Very high	17 Å²	17	28.3 Å²	28.3	8%	0.075	18%	0.177	C	C	.	.	S	Bend	trans	-115	65.9	-176.5	-49.4	-40.1	0	0	0	110.2	V312 M724 A725 Y728 L730 K731 S756	V312-F758 HydrophobicContact CG1-CD2 4.27Å; V312-F758 HydrophobicContact CG1-CE2 3.73Å; M724-F758 HydrophobicContact CB-CE1 4.08Å; M724-F758 HydrophobicContact CB-CE2 4.19Å; M724-F758 HydrophobicContact CB-CZ 3.5Å; M724-F758 VanDerWaalsContact CB-CZ 3.5Å; M724-F758 HydrophobicContact CE-CE2 4.36Å; M724-F758 HydrophobicContact CE-CZ 3.98Å; M724-F758 HydrophobicContact SD-CZ 4.49Å; A725-F758 HydrophobicContact CB-CD1 3.47Å; A725-F758 VanDerWaalsContact CB-CD1 3.47Å; A725-F758 HydrophobicContact CB-CE1 3.81Å; A725-F758 HydrophobicContact CB-CG 4.32Å; Y728-F758 HydrophobicContact CD2-CD2 4.44Å; Y728-F758 AromaticContact CD2-CE2 3.95Å; Y728-F758 HydrophobicContact CD2-CE2 3.95Å; L730-F758 HydrophobicContact CD2-CB 4Å; K731-F758 PolarHBondContact N-O 3.4Å; S756-F758 VanDerWaalsContact C-N 3.27Å; S756-F758 PolarHBondContact O-N 3.28Å
759	K	95.3	Very high	92.3	Very high	28 Å²	28	34.5 Å²	34.5	12%	0.122	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	162.1	177.1	71.6	176.5	169.7	-177.4	0	112.4	K731 I733 V751 S756 V761	K731-K759 HydrophobicContact CB-CB 4.35Å; K731-K759 CarbonylContact O-C 3.58Å; K731-K759 WeakPolarHBondContact O-CA 3.45Å; I733-K759 HydrophobicContact CD1-CB 4.24Å; I733-K759 HydrophobicContact CD1-CD 3.82Å; V751-K759 HydrophobicContact CG1-CD 4.2Å; V751-K759 VanDerWaalsContact CG1-NZ 3.34Å; V751-K759 PolarHBondContact O-NZ 3.01Å; S756-K759 WeakPolarHBondContact O-CG 3.33Å; K759-V761 HydrophobicContact CD-CG2 4.16Å
760	V	96.9	Very high	92	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.2	159.6	-70.6	0	0	0	0	108.4	R684 H687 Y688 L730 K731 Q732 I733 M762	R684-V760 HydrophobicContact CB-CG1 4.16Å; R684-V760 HydrophobicContact CG-CG1 4.09Å; H687-V760 HydrophobicContact CB-CG1 4.3Å; H687-V760 HydrophobicContact CB-CG2 3.9Å; Y688-V760 HydrophobicContact CE1-CB 3.87Å; Y688-V760 HydrophobicContact CE1-CG1 4.42Å; Y688-V760 HydrophobicContact CE1-CG2 4.5Å; Y688-V760 HydrophobicContact CE2-CB 4.15Å; Y688-V760 HydrophobicContact CE2-CG1 3.83Å; Y688-V760 WeakPolarHBondContact OH-CB 3.33Å; L730-V760 HydrophobicContact CD1-CG1 3.9Å; K731-V760 PolarHBondContact O-N 3.3Å; Q732-V760 HydrophobicContact CB-CG2 4.19Å; Q732-V760 HydrophobicContact CG-CG2 3.84Å; I733-V760 PolarHBondContact N-O 3.4Å; V760-M762 HydrophobicContact CG2-CE 3.9Å
761	V	97.3	Very high	91.7	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.1	-179.5	-167.1	0	0	0	0	109.2	Y618 E619 F622 Y688 I733 I735 L748 V751 K759	Y618-V761 WeakPolarHBondContact CE1-O 3.4Å; E619-V761 HydrophobicContact CG-CB 4.39Å; F622-V761 HydrophobicContact CE1-CB 4.23Å; F622-V761 HydrophobicContact CE1-CG1 3.83Å; F622-V761 HydrophobicContact CZ-CB 4.39Å; F622-V761 HydrophobicContact CZ-CG1 3.75Å; Y688-V761 PolarHBondContact OH-N 2.91Å; Y688-V761 VanDerWaalsContact OH-N 3.17Å; Y688-V761 PolarHBondContact OH-O 3.22Å; I733-V761 CarbonylContact O-C 3.51Å; I733-V761 WeakPolarHBondContact O-CA 3.39Å; I735-V761 HydrophobicContact CD1-CG1 4.47Å; L748-V761 HydrophobicContact CD2-CG1 4.37Å; V751-V761 HydrophobicContact CG1-CG2 3.77Å; K759-V761 HydrophobicContact CD-CG2 4.16Å
762	M	96.2	Very high	91.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.8	178.6	-61.3	178	-155.1	0	0	109.4	H687 Y688 Q732 I733 V734 I735 V760 L772 L776 L779	H687-M762 VanDerWaalsContact O-CE 3.26Å; H687-M762 WeakPolarHBondContact O-CE 3.48Å; Y688-M762 HydrophobicContact CD1-CE 3.65Å; Y688-M762 HydrophobicContact CD1-CG 3.79Å; Y688-M762 HydrophobicContact CD1-SD 4.2Å; Y688-M762 HydrophobicContact CE1-CE 3.99Å; Y688-M762 HydrophobicContact CE1-CG 3.59Å; Q732-M762 HydrophobicContact CG-CE 4.44Å; I733-M762 PolarHBondContact O-N 2.88Å; V734-M762 CarbonylContact C-O 3.59Å; V734-M762 WeakPolarHBondContact CA-O 3.47Å; V734-M762 HydrophobicContact CG2-CB 4.35Å; I735-M762 PolarHBondContact N-O 3.33Å; V760-M762 HydrophobicContact CG2-CE 3.9Å; M762-L772 HydrophobicContact CB-CD1 4.49Å; M762-L776 HydrophobicContact CE-CD1 3.82Å; M762-L776 HydrophobicContact SD-CD1 3.69Å; M762-L779 HydrophobicContact SD-CD1 4.06Å; M762-L779 HydrophobicContact SD-CD2 4.39Å
763	H	94.7	Very high	91.3	Very high	25 Å²	25	32.8 Å²	32.8	12%	0.116	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.1	172.9	173.5	-82.2	0	0	0	109.1	F622 I735 G737 L772	F622-H763 HydrophobicContact CB-CB 3.82Å; F622-H763 HydrophobicContact CD1-CB 3.33Å; F622-H763 HydrophobicContact CD2-CB 4.12Å; F622-H763 HydrophobicContact CE1-CB 3.91Å; F622-H763 HydrophobicContact CG-CB 3.45Å; F622-H763 VanDerWaalsContact CG-CB 3.45Å; I735-H763 WeakPolarHBondContact O-CA 3.33Å; G737-H763 PolarHBondContact O-CE1 2.85Å; G737-H763 PolarHBondContact O-NE2 2.63Å; H763-L772 WeakPolarHBondContact O-CD1 3.3Å
764	T	91.3	Very high	91.1	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.2	173.3	179.4	0	0	0	0	110.1	V734 I735 C736 G737 G766	V734-T764 HydrophobicContact CG1-CG2 4Å; I735-T764 PolarHBondContact O-N 2.84Å; C736-T764 VanDerWaalsContact CA-O 3.31Å; C736-T764 WeakPolarHBondContact CA-O 3.33Å; C736-T764 HydrophobicContact CB-CG2 4.04Å; C736-T764 WeakPolarHBondContact SG-CG2 3.36Å; G737-T764 PolarHBondContact N-O 2.97Å; T764-G766 VanDerWaalsContact C-N 3.28Å; T764-G766 PolarHBondContact OG1-N 3.26Å
765	D	82.4	Confident	91	Very high	76 Å²	76	39.8 Å²	39.8	41%	0.406	22%	0.215	S	C	.	.			trans	-91.5	7.3	173.2	62.2	-6.3	0	0	0	112.1	N767	D765-N767 VanDerWaalsContact C-N 3.31Å; D765-N767 WeakPolarHBondContact OD1-CB 3.16Å; D765-N767 PolarHBondContact OD1-N 3.02Å
766	G	78.4	Confident	90.8	Very high	50 Å²	50	39.9 Å²	39.9	52%	0.515	22%	0.217	S	C	.	.	S	Bend	trans	82.3	3.3	-176	0	0	0	0	0	114.1	T764 P768	T764-G766 VanDerWaalsContact C-N 3.28Å; T764-G766 PolarHBondContact OG1-N 3.26Å; G766-P768 VanDerWaalsContact O-CD 3.24Å; G766-P768 WeakPolarHBondContact O-CD 3.35Å
767	N	85.7	Confident	90.6	Very high	69 Å²	69	43 Å²	43	37%	0.369	24%	0.236	S	C	.	.			trans	-74.1	112.5	174.5	-177.3	-1.2	0	0	0	110.8	D765 E769 S770	D765-N767 VanDerWaalsContact C-N 3.31Å; D765-N767 WeakPolarHBondContact OD1-CB 3.16Å; D765-N767 PolarHBondContact OD1-N 3.02Å; N767-E769 PolarHBondContact O-N 2.99Å; N767-E769 WeakPolarHBondContact OD1-CB 3.48Å; N767-E769 PolarHBondContact OD1-N 2.84Å; N767-S770 VanDerWaalsContact O-CB 3.27Å; N767-S770 WeakPolarHBondContact O-CB 3.47Å; N767-S770 PolarHBondContact O-N 2.95Å; N767-S770 PolarHBondContact O-OG 3.4Å; N767-S770 VanDerWaalsContact O-OG 3.07Å
768	P	85.4	Confident	90.5	Very high	81 Å²	81	44.5 Å²	44.5	53%	0.526	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-18.2	-179.7	29.8	-35.9	0	0	0	112.9	G766 S770 C773 T780	G766-P768 VanDerWaalsContact O-CD 3.24Å; G766-P768 WeakPolarHBondContact O-CD 3.35Å; P768-S770 VanDerWaalsContact C-N 3.33Å; P768-C773 WeakPolarHBondContact O-CB 3.32Å; P768-T780 HydrophobicContact CB-CG2 4.04Å
769	E	86.6	Confident	90.3	Very high	151 Å²	151	44 Å²	44	71%	0.706	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.6	176.1	-57.3	-172	169.2	0	0	112.9	N767 Q774	N767-E769 PolarHBondContact O-N 2.99Å; N767-E769 WeakPolarHBondContact OD1-CB 3.48Å; N767-E769 PolarHBondContact OD1-N 2.84Å; E769-Q774 PolarHBondContact O-NE2 3.27Å
770	S	89.5	Confident	90	Very high	23 Å²	23	46.2 Å²	46.2	16%	0.161	27%	0.266	C	S	.	.	S	Bend	trans	-60.8	152	177.7	74.3	0	0	0	0	111.8	N767 P768 L772 C773 Q774	N767-S770 VanDerWaalsContact O-CB 3.27Å; N767-S770 WeakPolarHBondContact O-CB 3.47Å; N767-S770 PolarHBondContact O-N 2.95Å; N767-S770 PolarHBondContact O-OG 3.4Å; N767-S770 VanDerWaalsContact O-OG 3.07Å; P768-S770 VanDerWaalsContact C-N 3.33Å; S770-L772 PolarHBondContact O-N 3.39Å; S770-C773 PolarHBondContact O-N 2.95Å; S770-C773 VanDerWaalsContact O-N 3.13Å; S770-C773 WeakPolarHBondContact OG-CB 3.33Å; S770-C773 PolarHBondContact OG-N 2.68Å; S770-C773 PolarHBondContact OG-SG 3.34Å; S770-Q774 WeakPolarHBondContact O-CG 3.37Å; S770-Q774 PolarHBondContact O-N 2.72Å
771	F	91.3	Very high	89.6	Confident	17 Å²	17	50.5 Å²	50.5	8%	0.075	30%	0.296	C	S	.	.	H	α-helix	trans	-53.4	-42.1	-178.8	175.8	-99.6	0	0	0	112.6	T624 L627 R628 E631 R775	T624-F771 HydrophobicContact CG2-CB 4.27Å; L627-F771 HydrophobicContact CD2-CD1 4.27Å; L627-F771 HydrophobicContact CD2-CE1 3.92Å; L627-F771 HydrophobicContact CG-CE1 3.99Å; R628-F771 HydrophobicContact CB-CE2 4.21Å; R628-F771 HydrophobicContact CB-CZ 4.1Å; R628-F771 HydrophobicContact CG-CE2 4.16Å; R628-F771 HydrophobicContact CG-CZ 4.39Å; E631-F771 WeakPolarHBondContact OE2-CZ 3.4Å; F771-R775 HydrophobicContact CE1-CG 4.45Å; F771-R775 HydrophobicContact CZ-CG 4.35Å; F771-R775 WeakPolarHBondContact O-CG 3.4Å; F771-R775 PolarHBondContact O-N 2.8Å
772	L	91.4	Very high	89.3	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-68.6	-44.9	178.2	-69.2	165.9	0	0	0	112	Y618 L627 Y688 M762 H763 S770 Q774 R775 L776 L779	Y618-L772 HydrophobicContact CE2-CD1 4.42Å; Y618-L772 WeakPolarHBondContact OH-CD1 3.44Å; L627-L772 HydrophobicContact CD2-CD2 3.5Å; L627-L772 VanDerWaalsContact CD2-CD2 3.5Å; Y688-L772 HydrophobicContact CD1-CD2 4.44Å; M762-L772 HydrophobicContact CB-CD1 4.49Å; H763-L772 WeakPolarHBondContact O-CD1 3.3Å; S770-L772 PolarHBondContact O-N 3.39Å; L772-Q774 VanDerWaalsContact C-N 3.28Å; L772-Q774 PolarHBondContact O-N 3.2Å; L772-R775 PolarHBondContact O-N 3.2Å; L772-R775 VanDerWaalsContact O-N 3.1Å; L772-L776 PolarHBondContact O-N 2.67Å; L772-L779 HydrophobicContact CB-CD1 3.88Å
773	C	91.2	Very high	89.1	Confident	4 Å²	4	54.8 Å²	54.8	3%	0.027	32%	0.321	C	S	.	.	H	α-helix	trans	-63	-34.3	177.9	-72	0	0	0	0	112.6	P768 S770 R775 L776 P777 T780	P768-C773 WeakPolarHBondContact O-CB 3.32Å; S770-C773 PolarHBondContact O-N 2.95Å; S770-C773 VanDerWaalsContact O-N 3.13Å; S770-C773 WeakPolarHBondContact OG-CB 3.33Å; S770-C773 PolarHBondContact OG-N 2.68Å; S770-C773 PolarHBondContact OG-SG 3.34Å; C773-R775 VanDerWaalsContact C-N 3.32Å; C773-R775 PolarHBondContact O-N 2.89Å; C773-L776 CarbonylContact O-C 3.55Å; C773-L776 VanDerWaalsContact O-C 3.27Å; C773-P777 WeakPolarHBondContact O-CA 3.28Å; C773-T780 HydrophobicContact CB-CG2 3.84Å
774	Q	91.2	Very high	88.9	Confident	122 Å²	122	56.9 Å²	56.9	57%	0.57	33%	0.331	S	S	*	.	H	α-helix	trans	-65.7	-34.7	173.7	-68.6	178.9	15.6	0	0	112.7	E769 S770 L772	E769-Q774 PolarHBondContact O-NE2 3.27Å; S770-Q774 WeakPolarHBondContact O-CG 3.37Å; S770-Q774 PolarHBondContact O-N 2.72Å; L772-Q774 VanDerWaalsContact C-N 3.28Å; L772-Q774 PolarHBondContact O-N 3.2Å
775	R	91.5	Very high	88.9	Confident	81 Å²	81	59.9 Å²	59.9	31%	0.306	35%	0.346	S	S	.	.	H	α-helix	trans	-81.1	-37.3	177.9	-69.7	-68	-175.1	-101.4	6.9	112.4	E631 F771 L772 C773	E631-R775 IonicContact OE1-CZ 3.51Å; E631-R775 IonicContact OE1-NE 2.99Å; E631-R775 IonicContact OE1-NH2 3.32Å; E631-R775 PolarHBondContact OE1-NH2 2.99Å; E631-R775 IonicContact OE2-CZ 3.6Å; E631-R775 IonicContact OE2-NE 3.68Å; E631-R775 PolarHBondContact OE2-NE 2.92Å; E631-R775 VanDerWaalsContact OE2-NE 3.16Å; E631-R775 IonicContact OE2-NH2 3.47Å; F771-R775 HydrophobicContact CE1-CG 4.45Å; F771-R775 HydrophobicContact CZ-CG 4.35Å; F771-R775 WeakPolarHBondContact O-CG 3.4Å; F771-R775 PolarHBondContact O-N 2.8Å; L772-R775 PolarHBondContact O-N 3.2Å; L772-R775 VanDerWaalsContact O-N 3.1Å; C773-R775 VanDerWaalsContact C-N 3.32Å; C773-R775 PolarHBondContact O-N 2.89Å
776	L	92	Very high	89.2	Confident	25 Å²	25	64.3 Å²	64.3	13%	0.131	37%	0.37	C	S	.	.			trans	-126.2	85	-177.1	-63.4	170.9	0	0	0	109.6	H687 Y688 M762 L772 C773 A778 L779	H687-L776 VanDerWaalsContact O-CD1 3.31Å; H687-L776 WeakPolarHBondContact O-CD1 3.47Å; Y688-L776 WeakPolarHBondContact O-CD1 3.43Å; M762-L776 HydrophobicContact CE-CD1 3.82Å; M762-L776 HydrophobicContact SD-CD1 3.69Å; L772-L776 PolarHBondContact O-N 2.67Å; C773-L776 CarbonylContact O-C 3.55Å; C773-L776 VanDerWaalsContact O-C 3.27Å; L776-A778 PolarHBondContact O-N 3.1Å; L776-L779 HydrophobicContact CB-CD1 3.83Å; L776-L779 HydrophobicContact CB-CG 3.79Å; L776-L779 HydrophobicContact CD1-CD1 3.97Å; L776-L779 HydrophobicContact CD1-CG 4.4Å; L776-L779 WeakPolarHBondContact O-CB 3.35Å; L776-L779 WeakPolarHBondContact O-CG 3.33Å; L776-L779 PolarHBondContact O-N 2.8Å
777	P	88.8	Confident	89.6	Confident	89 Å²	89	66.2 Å²	66.2	58%	0.578	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-56.3	-27.5	-178.1	-28.9	36.4	0	0	0	114.3	C773 L779 T780	C773-P777 WeakPolarHBondContact O-CA 3.28Å; P777-L779 PolarHBondContact O-N 3.4Å; P777-T780 WeakPolarHBondContact O-CB 3.34Å; P777-T780 PolarHBondContact O-N 2.86Å; P777-T780 VanDerWaalsContact O-N 3.07Å; P777-T780 PolarHBondContact O-OG1 3.41Å
778	A	88.6	Confident	90	Very high	66 Å²	66	64.4 Å²	64.4	55%	0.545	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-58.1	-29.1	176.7	0	0	0	0	0	113.1	L776 T780 S781	L776-A778 PolarHBondContact O-N 3.1Å; A778-T780 PolarHBondContact O-N 3.29Å; A778-S781 PolarHBondContact O-N 3.06Å; A778-S781 PolarHBondContact O-OG 3.39Å
779	L	91	Very high	90.5	Very high	6 Å²	6	60.5 Å²	60.5	3%	0.031	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-63.6	-23.9	177.8	-61	-177.1	0	0	0	112.8	V734 M762 L772 L776 P777 S781 M782	V734-L779 HydrophobicContact CB-CD2 4.48Å; V734-L779 HydrophobicContact CG1-CD2 3.98Å; V734-L779 HydrophobicContact CG2-CD2 3.69Å; M762-L779 HydrophobicContact SD-CD1 4.06Å; M762-L779 HydrophobicContact SD-CD2 4.39Å; L772-L779 HydrophobicContact CB-CD1 3.88Å; L776-L779 HydrophobicContact CB-CD1 3.83Å; L776-L779 HydrophobicContact CB-CG 3.79Å; L776-L779 HydrophobicContact CD1-CD1 3.97Å; L776-L779 HydrophobicContact CD1-CG 4.4Å; L776-L779 WeakPolarHBondContact O-CB 3.35Å; L776-L779 WeakPolarHBondContact O-CG 3.33Å; L776-L779 PolarHBondContact O-N 2.8Å; P777-L779 PolarHBondContact O-N 3.4Å; L779-S781 PolarHBondContact O-N 2.97Å; L779-M782 HydrophobicContact CD2-CE 4.46Å; L779-M782 HydrophobicContact CD2-SD 3.85Å; L779-M782 PolarHBondContact O-N 2.61Å; L779-M782 VanDerWaalsContact O-N 3.12Å
780	T	89.2	Confident	91	Very high	76 Å²	76	53.3 Å²	53.3	47%	0.466	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-66.5	-20.9	177.9	63.3	0	0	0	0	113.5	P768 C773 P777 A778	P768-T780 HydrophobicContact CB-CG2 4.04Å; C773-T780 HydrophobicContact CB-CG2 3.84Å; P777-T780 WeakPolarHBondContact O-CB 3.34Å; P777-T780 PolarHBondContact O-N 2.86Å; P777-T780 VanDerWaalsContact O-N 3.07Å; P777-T780 PolarHBondContact O-OG1 3.41Å; A778-T780 PolarHBondContact O-N 3.29Å
781	S	89.1	Confident	91.4	Very high	89 Å²	89	52.2 Å²	52.2	62%	0.622	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-88.2	-9.5	175.1	64.4	0	0	0	0	113.9	A778 L779	A778-S781 PolarHBondContact O-N 3.06Å; A778-S781 PolarHBondContact O-OG 3.39Å; L779-S781 PolarHBondContact O-N 2.97Å
782	M	90.9	Very high	91.6	Very high	20 Å²	20	52.7 Å²	52.7	10%	0.099	31%	0.31	C	S	.	.			trans	-89.3	124	176.5	-61.1	-178.9	-179.1	0	0	108.7	V734 L779 Y792	V734-M782 HydrophobicContact CB-SD 3.84Å; V734-M782 HydrophobicContact CG1-SD 3.83Å; V734-M782 HydrophobicContact CG2-SD 3.79Å; L779-M782 HydrophobicContact CD2-CE 4.46Å; L779-M782 HydrophobicContact CD2-SD 3.85Å; L779-M782 PolarHBondContact O-N 2.61Å; L779-M782 VanDerWaalsContact O-N 3.12Å; M782-Y792 HydrophobicContact CB-CD2 3.92Å; M782-Y792 HydrophobicContact CB-CE2 3.74Å; M782-Y792 HydrophobicContact CB-CG 4.44Å; M782-Y792 HydrophobicContact CG-CD1 4.38Å; M782-Y792 HydrophobicContact CG-CD2 4.2Å; M782-Y792 HydrophobicContact CG-CE1 4.48Å; M782-Y792 HydrophobicContact CG-CE2 4.34Å; M782-Y792 HydrophobicContact CG-CG 4.22Å; M782-Y792 HydrophobicContact SD-CD2 4.28Å; M782-Y792 HydrophobicContact SD-CG 4.11Å
783	T	90	Very high	91.8	Very high	74 Å²	74	53 Å²	53	45%	0.454	31%	0.313	S	S	.	.			trans	-139.4	165.4	-171	54.9	0	0	0	0	111.3	Y792	T783-Y792 PolarHBondContact N-OH 2.86Å; T783-Y792 PolarHBondContact O-OH 3.18Å
784	Q	91.8	Very high	91.8	Very high	68 Å²	68	53.2 Å²	53.2	32%	0.318	31%	0.314	S	S	.	.			trans	-66.3	132	170.9	-68.3	-177.5	-89.8	0	0	110.3	C736 A788	C736-Q784 HydrophobicContact CB-CG 4.44Å; Q784-A788 VanDerWaalsContact CB-O 3.29Å; Q784-A788 WeakPolarHBondContact CB-O 3.22Å
785	L	91.2	Very high	91.7	Very high	66 Å²	66	50.4 Å²	50.4	35%	0.346	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-86.5	130.8	169.7	-69.1	-175.2	0	0	0	110.5	A787 A788 T790 P802 T804	L785-A787 PolarHBondContact O-N 3.47Å; L785-A788 PolarHBondContact O-N 2.96Å; L785-T790 HydrophobicContact CD1-CG2 4.28Å; L785-T790 HydrophobicContact CG-CG2 4.06Å; L785-T790 PolarHBondContact N-OG1 3.02Å; L785-P802 HydrophobicContact CD1-CB 3.66Å; L785-P802 HydrophobicContact CD1-CG 3.49Å; L785-P802 VanDerWaalsContact CD1-CG 3.49Å; L785-P802 HydrophobicContact CG-CB 4.34Å; L785-P802 HydrophobicContact CG-CG 4.36Å; L785-T804 HydrophobicContact CB-CG2 4.23Å
786	D	88.4	Confident	91.2	Very high	169 Å²	169	51.5 Å²	51.5	90%	0.904	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	35.8	176.3	-61	-33.9	0	0	0	113.8	A788	D786-A788 PolarHBondContact O-N 3.41Å
787	A	87.1	Confident	90.7	Very high	90 Å²	90	59 Å²	59	74%	0.744	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	12.3	-175.7	0	0	0	0	0	116.2	L785	L785-A787 PolarHBondContact O-N 3.47Å
788	A	93.7	Very high	90.6	Very high	31 Å²	31	59.6 Å²	59.6	26%	0.256	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-94.1	148.9	172.1	0	0	0	0	0	111.7	Q784 L785 D786 T790 T804	Q784-A788 VanDerWaalsContact CB-O 3.29Å; Q784-A788 WeakPolarHBondContact CB-O 3.22Å; L785-A788 PolarHBondContact O-N 2.96Å; D786-A788 PolarHBondContact O-N 3.41Å; A788-T790 PolarHBondContact O-N 3.43Å; A788-T790 PolarHBondContact O-OG1 3.16Å; A788-T790 VanDerWaalsContact O-OG1 3.05Å; A788-T804 HydrophobicContact CB-CG2 4.1Å
789	A	96.1	Very high	90.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	35%	0.348	C	S	.	.			trans	-54.7	136.3	168.9	0	0	0	0	0	110.3	C736 D743 T744 L747 T804	C736-A789 CarbonylContact O-C 3.55Å; C736-A789 VanDerWaalsContact O-CA 3.26Å; C736-A789 WeakPolarHBondContact O-CA 3.42Å; D743-A789 HydrophobicContact CB-CB 3.94Å; D743-A789 VanDerWaalsContact CG-CB 3.44Å; D743-A789 WeakPolarHBondContact OD2-CB 3.45Å; D743-A789 PolarHBondContact OD2-N 3.35Å; T744-A789 WeakPolarHBondContact OG1-CB 3.32Å; L747-A789 HydrophobicContact CD1-CB 3.88Å; A789-T804 WeakPolarHBondContact O-CA 3.41Å
790	T	97.1	Very high	90.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.4	-170.3	-59.9	0	0	0	0	110.2	C736 L785 A788 Y792 P802	C736-T790 PolarHBondContact N-O 2.79Å; C736-T790 PolarHBondContact O-N 2.93Å; L785-T790 HydrophobicContact CD1-CG2 4.28Å; L785-T790 HydrophobicContact CG-CG2 4.06Å; L785-T790 PolarHBondContact N-OG1 3.02Å; A788-T790 PolarHBondContact O-N 3.43Å; A788-T790 PolarHBondContact O-OG1 3.16Å; A788-T790 VanDerWaalsContact O-OG1 3.05Å; T790-Y792 HydrophobicContact CG2-CD2 4.21Å; T790-Y792 HydrophobicContact CG2-CE2 3.62Å; T790-P802 HydrophobicContact CG2-CB 3.46Å; T790-P802 VanDerWaalsContact CG2-CB 3.46Å
791	A	97.2	Very high	90.6	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.8	173.4	0	0	0	0	0	111.2	V734 I735 L747 P802 V803 L809	V734-A791 CarbonylContact O-C 3.48Å; V734-A791 VanDerWaalsContact O-CA 3.31Å; V734-A791 WeakPolarHBondContact O-CA 3.43Å; I735-A791 HydrophobicContact CG1-CB 4.24Å; L747-A791 HydrophobicContact CD1-CB 4.23Å; L747-A791 HydrophobicContact CD2-CB 4.45Å; A791-P802 WeakPolarHBondContact O-CA 3.34Å; A791-V803 HydrophobicContact CB-CG2 3.94Å; A791-V803 PolarHBondContact N-O 3.01Å; A791-V803 PolarHBondContact O-N 2.94Å; A791-L809 HydrophobicContact CB-CD1 3.89Å; A791-L809 HydrophobicContact CB-CD2 3.77Å; A791-L809 HydrophobicContact CB-CG 4.38Å
792	Y	95.6	Very high	90.9	Very high	26 Å²	26	62 Å²	62	10%	0.102	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.4	168.8	-61.3	-98.3	0	0	0	108	I733 V734 C736 M782 T783 T790 P802	I733-Y792 WeakPolarHBondContact CA-O 3.29Å; V734-Y792 PolarHBondContact N-O 3.23Å; V734-Y792 PolarHBondContact O-N 3.38Å; C736-Y792 HydrophobicContact CB-CE2 4.49Å; M782-Y792 HydrophobicContact CB-CD2 3.92Å; M782-Y792 HydrophobicContact CB-CE2 3.74Å; M782-Y792 HydrophobicContact CB-CG 4.44Å; M782-Y792 HydrophobicContact CG-CD1 4.38Å; M782-Y792 HydrophobicContact CG-CD2 4.2Å; M782-Y792 HydrophobicContact CG-CE1 4.48Å; M782-Y792 HydrophobicContact CG-CE2 4.34Å; M782-Y792 HydrophobicContact CG-CG 4.22Å; M782-Y792 HydrophobicContact SD-CD2 4.28Å; M782-Y792 HydrophobicContact SD-CG 4.11Å; T783-Y792 PolarHBondContact N-OH 2.86Å; T783-Y792 PolarHBondContact O-OH 3.18Å; T790-Y792 HydrophobicContact CG2-CD2 4.21Å; T790-Y792 HydrophobicContact CG2-CE2 3.62Å; Y792-P802 HydrophobicContact CD1-CB 4.03Å; Y792-P802 HydrophobicContact CE1-CB 3.62Å; Y792-P802 HydrophobicContact CE1-CG 4.1Å
793	V	95.3	Very high	91.1	Very high	12 Å²	12	61.2 Å²	61.2	7%	0.073	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	117.2	173.9	-178.5	0	0	0	0	108.2	Q732 I733 S800 L809 L812 L813	Q732-V793 WeakPolarHBondContact O-CA 3.45Å; I733-V793 HydrophobicContact CG1-CG1 4.5Å; I733-V793 HydrophobicContact CG1-CG2 4.38Å; I733-V793 HydrophobicContact CG2-CG2 4.37Å; V793-S800 PolarHBondContact N-OG 3.41Å; V793-S800 PolarHBondContact O-N 3.28Å; V793-S800 PolarHBondContact O-OG 3.42Å; V793-L809 HydrophobicContact CG2-CD1 3.6Å; V793-L812 HydrophobicContact CB-CD2 3.32Å; V793-L812 HydrophobicContact CG1-CD2 3.72Å; V793-L812 HydrophobicContact CG2-CD2 3.43Å; V793-L812 VanDerWaalsContact CG2-CD2 3.43Å; V793-L813 HydrophobicContact CG1-CD2 4.07Å; V793-L813 HydrophobicContact CG2-CD2 4Å
794	C	92.4	Very high	91.4	Very high	7 Å²	7	59.9 Å²	59.9	5%	0.047	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.8	-177.5	-48.4	0	0	0	0	111.1	K731 Q732 T798 C799	K731-C794 CarbonylContact C-O 3.44Å; Q732-C794 HydrophobicContact CB-CB 4.33Å; Q732-C794 PolarHBondContact N-O 3.31Å; Q732-C794 PolarHBondContact O-N 3.49Å; C794-T798 CarbonylContact C-O 3.59Å; C794-T798 WeakPolarHBondContact CA-O 3.45Å; C794-C799 HydrophobicContact CB-CB 4.04Å; C794-C799 WeakPolarHBondContact CB-SG 3.49Å; C794-C799 WeakPolarHBondContact SG-CB 3.27Å; C794-C799 CovalentContact SG-SG 2.04Å; C794-C799 PolarHBondContact SG-SG 3.41Å
795	Q	87.9	Confident	91.7	Very high	63 Å²	63	61.7 Å²	61.7	29%	0.294	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	138	176.1	-170.3	171.9	1.3	0	0	107.9	Y728 T729 L797 T798	Y728-Q795 PolarHBondContact O-NE2 2.87Å; T729-Q795 WeakPolarHBondContact OG1-CG 3.49Å; T729-Q795 PolarHBondContact OG1-NE2 3.43Å; Q795-L797 VanDerWaalsContact C-N 3.31Å; Q795-L797 PolarHBondContact O-N 3.27Å; Q795-T798 PolarHBondContact N-O 3.32Å; Q795-T798 PolarHBondContact O-N 3.09Å
796	D	82.4	Confident	91.9	Very high	105 Å²	105	60 Å²	60	56%	0.561	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	49.4	179.7	-57.4	-27.5	0	0	0	113.9	T729 T798	T729-D796 VanDerWaalsContact CB-OD1 3.27Å; T729-D796 WeakPolarHBondContact CB-OD1 3.43Å; T729-D796 WeakPolarHBondContact CG2-OD1 3.36Å; T729-D796 PolarHBondContact OG1-OD1 3.15Å; D796-T798 PolarHBondContact O-N 3.31Å; D796-T798 PolarHBondContact O-OG1 3.02Å
797	L	79.9	Confident	92.3	Very high	182 Å²	182	58.5 Å²	58.5	95%	0.953	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	9	-179.8	-49.7	173.7	0	0	0	114.8	Q795	Q795-L797 VanDerWaalsContact C-N 3.31Å; Q795-L797 PolarHBondContact O-N 3.27Å
798	T	86.8	Confident	92.6	Very high	101 Å²	101	58 Å²	58	62%	0.62	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.2	177.8	-55	0	0	0	0	109.6	C794 Q795 D796	C794-T798 CarbonylContact C-O 3.59Å; C794-T798 WeakPolarHBondContact CA-O 3.45Å; Q795-T798 PolarHBondContact N-O 3.32Å; Q795-T798 PolarHBondContact O-N 3.09Å; D796-T798 PolarHBondContact O-N 3.31Å; D796-T798 PolarHBondContact O-OG1 3.02Å
799	C	89.6	Confident	92.8	Very high	63 Å²	63	56.5 Å²	56.5	43%	0.426	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.8	176	-59.4	0	0	0	0	110.8	C794	C794-C799 HydrophobicContact CB-CB 4.04Å; C794-C799 WeakPolarHBondContact CB-SG 3.49Å; C794-C799 WeakPolarHBondContact SG-CB 3.27Å; C794-C799 CovalentContact SG-SG 2.04Å; C794-C799 PolarHBondContact SG-SG 3.41Å
800	S	88.5	Confident	92.7	Very high	35 Å²	35	61.4 Å²	61.4	25%	0.245	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-65	168.5	166.4	51.7	0	0	0	0	112.2	V793	V793-S800 PolarHBondContact N-OG 3.41Å; V793-S800 PolarHBondContact O-N 3.28Å; V793-S800 PolarHBondContact O-OG 3.42Å
801	L	91.6	Very high	92.4	Very high	148 Å²	148	68.1 Å²	68.1	78%	0.775	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-60.7	138.6	166.5	-69.4	175.1	0	0	0	109.6
802	P	94.5	Very high	92.1	Very high	43 Å²	43	70.3 Å²	70.3	28%	0.279	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-59.3	140.5	175.6	23	-33.8	0	0	0	111.7	L785 T790 A791 Y792	L785-P802 HydrophobicContact CD1-CB 3.66Å; L785-P802 HydrophobicContact CD1-CG 3.49Å; L785-P802 VanDerWaalsContact CD1-CG 3.49Å; L785-P802 HydrophobicContact CG-CB 4.34Å; L785-P802 HydrophobicContact CG-CG 4.36Å; T790-P802 HydrophobicContact CG2-CB 3.46Å; T790-P802 VanDerWaalsContact CG2-CB 3.46Å; A791-P802 WeakPolarHBondContact O-CA 3.34Å; Y792-P802 HydrophobicContact CD1-CB 4.03Å; Y792-P802 HydrophobicContact CE1-CB 3.62Å; Y792-P802 HydrophobicContact CE1-CG 4.1Å
803	V	96.6	Very high	91.9	Very high	3 Å²	3	69.4 Å²	69.4	2%	0.018	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-125.8	140.2	179.3	-58.4	0	0	0	0	110.5	A791 E808 L809	A791-V803 HydrophobicContact CB-CG2 3.94Å; A791-V803 PolarHBondContact N-O 3.01Å; A791-V803 PolarHBondContact O-N 2.94Å; V803-E808 HydrophobicContact CB-CB 4.34Å; V803-E808 HydrophobicContact CB-CG 4.2Å; V803-E808 HydrophobicContact CG1-CB 4.37Å; V803-E808 HydrophobicContact CG1-CG 3.7Å; V803-L809 HydrophobicContact CG2-CB 3.87Å; V803-L809 HydrophobicContact CG2-CD1 4.1Å
804	T	96.8	Very high	91.4	Very high	46 Å²	46	73.2 Å²	73.2	28%	0.282	38%	0.375	S	S	.	.			trans	-107.9	-15.9	178.4	57.3	0	0	0	0	112.4	L785 A788 A789	L785-T804 HydrophobicContact CB-CG2 4.23Å; A788-T804 HydrophobicContact CB-CG2 4.1Å; A789-T804 WeakPolarHBondContact O-CA 3.41Å
805	E	96.5	Very high	90.3	Very high	106 Å²	106	76.7 Å²	76.7	50%	0.495	39%	0.394	S	S	.	.	S	Bend	trans	-99.6	129.9	-175.9	-67.3	-60.1	151.9	0	0	112.4	Q807 E808 L809	E805-Q807 VanDerWaalsContact C-N 3.32Å; E805-Q807 PolarHBondContact O-N 3.37Å; E805-E808 HydrophobicContact CB-CB 4.26Å; E805-E808 PolarHBondContact O-N 3.48Å; E805-E808 VanDerWaalsContact O-N 3.07Å; E805-L809 PolarHBondContact O-N 2.7Å
806	P	96.6	Very high	88.7	Confident	31 Å²	31	75.1 Å²	75.1	20%	0.201	39%	0.394	C	S	.	.	H	α-helix	trans	-56.6	-37.6	179.7	-28.6	36.1	0	0	0	114.7	L747 A750 E808 L809 R810	L747-P806 HydrophobicContact CD2-CG 4.32Å; A750-P806 HydrophobicContact CB-CB 3.96Å; P806-E808 VanDerWaalsContact C-N 3.33Å; P806-L809 PolarHBondContact O-N 3.22Å; P806-R810 WeakPolarHBondContact O-CG 3.36Å; P806-R810 PolarHBondContact O-N 2.66Å
807	Q	95.4	Very high	87	Confident	136 Å²	136	72.2 Å²	72.2	64%	0.636	38%	0.38	S	S	*	.	H	α-helix	trans	-67.3	-35.8	177.9	-66.6	84.6	0.3	0	0	112	E805 R810 R811	E805-Q807 VanDerWaalsContact C-N 3.32Å; E805-Q807 PolarHBondContact O-N 3.37Å; Q807-R810 PolarHBondContact O-N 2.83Å; Q807-R811 PolarHBondContact O-N 2.76Å
808	E	95	Very high	84.8	Confident	80 Å²	80	67.9 Å²	67.9	37%	0.374	36%	0.361	S	S	.	.	H	α-helix	trans	-69.3	-42.4	177.5	-167.9	173.7	-162.5	0	0	111	V803 E805 P806 R810 R811 L812	V803-E808 HydrophobicContact CB-CB 4.34Å; V803-E808 HydrophobicContact CB-CG 4.2Å; V803-E808 HydrophobicContact CG1-CB 4.37Å; V803-E808 HydrophobicContact CG1-CG 3.7Å; E805-E808 HydrophobicContact CB-CB 4.26Å; E805-E808 PolarHBondContact O-N 3.48Å; E805-E808 VanDerWaalsContact O-N 3.07Å; P806-E808 VanDerWaalsContact C-N 3.33Å; E808-R810 VanDerWaalsContact C-N 3.34Å; E808-R810 PolarHBondContact O-N 3.03Å; E808-R811 PolarHBondContact O-N 2.85Å; E808-R811 IonicContact OE1-NH2 3.38Å; E808-L812 WeakPolarHBondContact O-CB 3.37Å; E808-L812 PolarHBondContact O-N 3.41Å
809	L	96.2	Very high	82	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-58.4	-44.8	172.7	-179.2	56.9	0	0	0	111.7	L747 A750 V751 A791 V793 V803 E805 P806 R811 L812 L813	L747-L809 HydrophobicContact CB-CD2 4.16Å; L747-L809 HydrophobicContact CD2-CB 4.37Å; L747-L809 HydrophobicContact CD2-CD2 3.96Å; A750-L809 HydrophobicContact CB-CD2 4.41Å; V751-L809 HydrophobicContact CG2-CD2 3.69Å; V751-L809 HydrophobicContact CG2-CG 4.43Å; A791-L809 HydrophobicContact CB-CD1 3.89Å; A791-L809 HydrophobicContact CB-CD2 3.77Å; A791-L809 HydrophobicContact CB-CG 4.38Å; V793-L809 HydrophobicContact CG2-CD1 3.6Å; V803-L809 HydrophobicContact CG2-CB 3.87Å; V803-L809 HydrophobicContact CG2-CD1 4.1Å; E805-L809 PolarHBondContact O-N 2.7Å; P806-L809 PolarHBondContact O-N 3.22Å; L809-R811 PolarHBondContact O-N 2.95Å; L809-L812 PolarHBondContact O-N 3.06Å; L809-L813 HydrophobicContact CD1-CD1 4.09Å; L809-L813 HydrophobicContact CD1-CG 4.11Å; L809-L813 HydrophobicContact CG-CD1 4.04Å; L809-L813 HydrophobicContact CG-CG 4.47Å; L809-L813 VanDerWaalsContact O-CG 3.28Å; L809-L813 WeakPolarHBondContact O-CG 3.25Å; L809-L813 PolarHBondContact O-N 3.45Å
810	R	94.3	Very high	79.3	Confident	102 Å²	102	68.7 Å²	68.7	39%	0.385	37%	0.367	S	S	.	.	H	α-helix	trans	-57.8	-48.6	175.7	-74.9	178.6	-176.3	-126	1.9	111.8	A750 S753 L754 P806 Q807 E808 L812 L813 L814	A750-R810 HydrophobicContact CB-CG 3.75Å; S753-R810 PolarHBondContact OG-NH1 2.87Å; S753-R810 VanDerWaalsContact OG-NH1 3.11Å; S753-R810 PolarHBondContact OG-NH2 3.05Å; L754-R810 HydrophobicContact CD1-CB 4.15Å; L754-R810 HydrophobicContact CD1-CG 4.09Å; P806-R810 WeakPolarHBondContact O-CG 3.36Å; P806-R810 PolarHBondContact O-N 2.66Å; Q807-R810 PolarHBondContact O-N 2.83Å; E808-R810 VanDerWaalsContact C-N 3.34Å; E808-R810 PolarHBondContact O-N 3.03Å; R810-L812 VanDerWaalsContact C-N 3.29Å; R810-L812 PolarHBondContact O-N 2.96Å; R810-L813 PolarHBondContact O-N 3.26Å; R810-L814 VanDerWaalsContact O-CG 3.31Å; R810-L814 WeakPolarHBondContact O-CG 3.31Å; R810-L814 PolarHBondContact O-N 3.38Å
811	R	91.6	Very high	76.4	Confident	141 Å²	141	75.5 Å²	75.5	53%	0.532	40%	0.395	S	S	.	.	H	α-helix	trans	-57.3	-46.5	177.5	-179.9	-179.3	66.8	156.3	0.3	110.5	Q807 E808 L809 L813 L814 D815	Q807-R811 PolarHBondContact O-N 2.76Å; E808-R811 PolarHBondContact O-N 2.85Å; E808-R811 IonicContact OE1-NH2 3.38Å; L809-R811 PolarHBondContact O-N 2.95Å; R811-L813 VanDerWaalsContact C-N 3.32Å; R811-L813 PolarHBondContact O-N 3.3Å; R811-L814 PolarHBondContact O-N 3.14Å; R811-L814 VanDerWaalsContact O-N 3.16Å; R811-D815 WeakPolarHBondContact CG-OD2 3.42Å; R811-D815 WeakPolarHBondContact O-CB 3.5Å; R811-D815 VanDerWaalsContact O-CG 3.3Å; R811-D815 PolarHBondContact O-N 2.94Å
812	L	91.7	Very high	73.3	Confident	46 Å²	46	71.9 Å²	71.9	24%	0.241	39%	0.386	C	S	.	.	H	α-helix	trans	-62.9	-38.2	-178.7	-165.6	131.4	0	0	0	112.9	V793 E808 L809 R810 L814 G816	V793-L812 HydrophobicContact CB-CD2 3.32Å; V793-L812 HydrophobicContact CG1-CD2 3.72Å; V793-L812 HydrophobicContact CG2-CD2 3.43Å; V793-L812 VanDerWaalsContact CG2-CD2 3.43Å; E808-L812 WeakPolarHBondContact O-CB 3.37Å; E808-L812 PolarHBondContact O-N 3.41Å; L809-L812 PolarHBondContact O-N 3.06Å; R810-L812 VanDerWaalsContact C-N 3.29Å; R810-L812 PolarHBondContact O-N 2.96Å; L812-L814 VanDerWaalsContact C-N 3.34Å; L812-G816 PolarHBondContact O-N 2.85Å
813	L	90.6	Very high	70.1	Confident	8 Å²	8	82.7 Å²	82.7	4%	0.042	43%	0.432	C	S	.	.	H	α-helix	trans	-69.4	-31.8	176.7	-66.8	173.9	0	0	0	112.8	K731 I733 V751 L754 V793 L809 R810 R811	K731-L813 PolarHBondContact NZ-O 3.22Å; K731-L813 VanDerWaalsContact NZ-O 3.16Å; I733-L813 HydrophobicContact CD1-CD1 4.14Å; I733-L813 HydrophobicContact CD1-CD2 3.53Å; I733-L813 HydrophobicContact CG1-CD2 4.01Å; V751-L813 HydrophobicContact CG2-CD1 4.13Å; L754-L813 HydrophobicContact CD1-CB 3.92Å; L754-L813 HydrophobicContact CD1-CD1 4.18Å; V793-L813 HydrophobicContact CG1-CD2 4.07Å; V793-L813 HydrophobicContact CG2-CD2 4Å; L809-L813 HydrophobicContact CD1-CD1 4.09Å; L809-L813 HydrophobicContact CD1-CG 4.11Å; L809-L813 HydrophobicContact CG-CD1 4.04Å; L809-L813 HydrophobicContact CG-CG 4.47Å; L809-L813 VanDerWaalsContact O-CG 3.28Å; L809-L813 WeakPolarHBondContact O-CG 3.25Å; L809-L813 PolarHBondContact O-N 3.45Å; R810-L813 PolarHBondContact O-N 3.26Å; R811-L813 VanDerWaalsContact C-N 3.32Å; R811-L813 PolarHBondContact O-N 3.3Å
814	L	84.9	Confident	68.8	Low	91 Å²	91	86.7 Å²	86.7	48%	0.476	45%	0.453	S	S	.	.	H	α-helix	trans	-83.3	-41.5	178.4	-68.1	172.3	0	0	0	113.1	L754 R810 R811 L812 G816 T817	L754-L814 HydrophobicContact CD1-CD2 4.39Å; L754-L814 HydrophobicContact CD1-CG 4.12Å; L754-L814 HydrophobicContact CD2-CD1 4.37Å; L754-L814 HydrophobicContact CD2-CD2 4.19Å; L754-L814 HydrophobicContact CD2-CG 4.43Å; R810-L814 VanDerWaalsContact O-CG 3.31Å; R810-L814 WeakPolarHBondContact O-CG 3.31Å; R810-L814 PolarHBondContact O-N 3.38Å; R811-L814 PolarHBondContact O-N 3.14Å; R811-L814 VanDerWaalsContact O-N 3.16Å; L812-L814 VanDerWaalsContact C-N 3.34Å; L814-G816 VanDerWaalsContact C-N 3.32Å; L814-G816 PolarHBondContact O-N 3.3Å; L814-T817 WeakPolarHBondContact O-CB 3.29Å; L814-T817 PolarHBondContact O-N 3.07Å; L814-T817 PolarHBondContact O-OG1 2.87Å
815	D	69.3	Low	67.3	Low	81 Å²	81	88.8 Å²	88.8	43%	0.433	46%	0.462	S	S	.	.	H	α-helix	trans	-67.6	-32.5	-176.4	-74.6	-5.2	0	0	0	111.8	R811 T817 T818	R811-D815 WeakPolarHBondContact CG-OD2 3.42Å; R811-D815 WeakPolarHBondContact O-CB 3.5Å; R811-D815 VanDerWaalsContact O-CG 3.3Å; R811-D815 PolarHBondContact O-N 2.94Å; D815-T817 PolarHBondContact O-N 3.06Å; D815-T818 PolarHBondContact O-N 3.42Å; D815-T818 PolarHBondContact O-OG1 2.97Å
816	G	55.2	Low	65.7	Low	29 Å²	29	87.8 Å²	87.8	30%	0.299	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-8	171	0	0	0	0	0	114.2	L812 L814	L812-G816 PolarHBondContact O-N 2.85Å; L814-G816 VanDerWaalsContact C-N 3.32Å; L814-G816 PolarHBondContact O-N 3.3Å
817	T	46.2	Very low	63.9	Low	45 Å²	45	91.2 Å²	91.2	28%	0.276	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-18.4	173.2	-31.2	0	0	0	0	112.1	S311 L814 D815	S311-T817 WeakPolarHBondContact O-CG2 3.16Å; L814-T817 WeakPolarHBondContact O-CB 3.29Å; L814-T817 PolarHBondContact O-N 3.07Å; L814-T817 PolarHBondContact O-OG1 2.87Å; D815-T817 PolarHBondContact O-N 3.06Å
818	T	32.8	Very low	61.9	Low	90 Å²	90	88.4 Å²	88.4	55%	0.552	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-11.3	-178.7	58.7	0	0	0	0	114.1	D815	D815-T818 PolarHBondContact O-N 3.42Å; D815-T818 PolarHBondContact O-OG1 2.97Å
819	A	28.5	Very low	59.7	Low	67 Å²	67	88.9 Å²	88.9	55%	0.554	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-87.6	-0.7	-172	0	0	0	0	0	115.4	E821	A819-E821 PolarHBondContact O-N 2.82Å
820	L	33.3	Very low	57.1	Low	115 Å²	115	95.3 Å²	95.3	60%	0.602	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-77.4	-0.5	-179.9	-91	153.1	0	0	0	114.6	Y728	Y728-L820 HydrophobicContact CD1-CD1 3.85Å; Y728-L820 HydrophobicContact CE1-CD1 4.1Å
821	E	26.9	Very low	54.3	Low	178 Å²	178	94.8 Å²	94.8	83%	0.832	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-97	7.9	175.5	-71.3	-170.5	162.6	0	0	114.3	A819	A819-E821 PolarHBondContact O-N 2.82Å
822	A	27.3	Very low	51.2	Low	72 Å²	72	90.9 Å²	90.9	60%	0.595	51%	0.512	S	S	*	.			trans	-124.1	48.6	-178.5	0	0	0	0	0	113.3
823	H	27.6	Very low	47.5	Very low	269 Å²	269	95 Å²	95	100%	1.245	54%	0.537	S	S	*	.			trans	-151.2	0	153.2	-90.8	-49.5	0	0	0	113.1

Retrieved 823 of 823 residues in 358.4 ms (Link to these results)

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