A0A087X1U5_HUMAN Loading...

Ribosomal protein S6 kinase C1

AlphaFold DB , UniProt , Accession A0A087X1U5, Species HUMAN (Homo sapiens, Human), Gene RPS6KC1, Length 601 aa.

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(Predicted Aligned Error values between residue pairs)

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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	32.1	Very low	33.3	Very low	232 Å²	232	147.6 Å²	147.6	100%	1.143	81%	0.806	S	S	*	*				0	120.1	0	-67.6	171.9	177.2	0	0	105.4
2	L	31.4	Very low	33.3	Very low	155 Å²	155	145.3 Å²	145.3	81%	0.812	80%	0.8	S	S	*	*			cis	59.2	130.6	37.6	-55.6	172.4	0	0	0	111.4
3	K	31.7	Very low	34.4	Very low	183 Å²	183	143.2 Å²	143.2	80%	0.796	80%	0.797	S	S	*	*			cis	-156.4	145.3	-0.8	-103.6	171.5	171.4	-179.9	0	105.7
4	A	31.1	Very low	34.1	Very low	81 Å²	81	141 Å²	141	67%	0.669	80%	0.797	S	S	*	*				90.1	131	54.3	0	0	0	0	0	115.8
5	L	33.5	Very low	34.2	Very low	154 Å²	154	138.8 Å²	138.8	81%	0.806	79%	0.794	S	S	*	*			trans	70.2	172.2	154.6	-67.3	171	0	0	0	118.3	L7	L5-L7 HydrophobicContact CD2-CD1 4.47Å
6	P	44.4	Very low	34.3	Very low	122 Å²	122	139.7 Å²	139.7	79%	0.792	79%	0.789	S	S	*	*			cis	-133.8	-179	4.8	26.5	-1.1	0	0	0	118.6
7	L	32.3	Very low	34.4	Very low	143 Å²	143	141.4 Å²	141.4	75%	0.749	80%	0.795	S	S	*	*			trans	-86.6	172.9	178.8	-36.9	93.1	0	0	0	115.2	L5	L5-L7 HydrophobicContact CD2-CD1 4.47Å
8	K	34.5	Very low	34.7	Very low	188 Å²	188	140.3 Å²	140.3	82%	0.817	79%	0.787	S	S	*	*				162.9	143	108.3	-90.1	-160.9	176.3	-169.3	0	117.9
9	S	32.9	Very low	34.9	Very low	107 Å²	107	139.2 Å²	139.2	75%	0.748	79%	0.79	S	S	*	*			trans	56.9	158.6	148.3	56.3	0	0	0	0	119.7
10	S	31.7	Very low	34.8	Very low	101 Å²	101	139.7 Å²	139.7	71%	0.706	79%	0.79	S	S	*	*			cis	-167.4	173.3	28.2	-20.2	0	0	0	0	109.1
11	L	30.2	Very low	34.9	Very low	158 Å²	158	140.2 Å²	140.2	83%	0.827	79%	0.786	S	S	*	*			cis	-165.5	-164.6	-9.6	-119.6	171.6	0	0	0	110.9
12	T	33.8	Very low	35.2	Very low	120 Å²	120	136.9 Å²	136.9	74%	0.736	77%	0.768	S	S	*	*			trans	-76.1	-170.2	-179.8	50	0	0	0	0	115.3
13	P	47.7	Very low	35.4	Very low	117 Å²	117	136.7 Å²	136.7	76%	0.76	77%	0.768	S	S	*	*			cis	-128.4	-176.2	6.8	44.8	-26.1	0	0	0	114.8
14	S	29.7	Very low	35.6	Very low	113 Å²	113	135.8 Å²	135.8	79%	0.79	77%	0.771	S	S	*	*			cis	-161.3	-178.4	36	-139.8	0	0	0	0	110.7
15	S	35.4	Very low	35.7	Very low	108 Å²	108	135.5 Å²	135.5	76%	0.755	78%	0.777	S	S	*	*			cis	-147.6	-121.6	12.1	56.5	0	0	0	0	113.3
16	Q	36.3	Very low	35.7	Very low	153 Å²	153	137 Å²	137	72%	0.715	78%	0.779	S	S	*	*			trans	-149	154.6	-172.6	-67.4	175.6	-105.9	0	0	112
17	D	35.7	Very low	35.2	Very low	168 Å²	168	138.1 Å²	138.1	90%	0.898	78%	0.779	S	S	*	*				-156.2	148.8	115.2	-112.7	-21.5	0	0	0	110
18	D	39.9	Very low	35.3	Very low	122 Å²	122	136.7 Å²	136.7	65%	0.652	78%	0.781	S	S	*	*			trans	-119.1	136.2	-169.6	-82.6	-72.6	0	0	0	112.8
19	S	38.8	Very low	35.4	Very low	119 Å²	119	133.3 Å²	133.3	83%	0.832	78%	0.781	S	S	*	*			trans	-160.3	118.6	152	61.6	0	0	0	0	112.1
20	N	33.7	Very low	36	Very low	150 Å²	150	133.9 Å²	133.9	80%	0.802	78%	0.782	S	S	*	*			trans	-105.4	163.6	170.8	-65.6	-81.6	0	0	0	109.9
21	Q	37.3	Very low	36	Very low	150 Å²	150	138.2 Å²	138.2	70%	0.701	79%	0.788	S	S	*	*				160.3	122.4	105.9	-171.2	158.8	20.5	0	0	113.9
22	E	36.7	Very low	36.1	Very low	163 Å²	163	142.1 Å²	142.1	76%	0.762	79%	0.792	S	S	*	*			trans	54.9	151.5	155.9	-70.2	139.8	-142.1	0	0	119
23	D	35.7	Very low	36.5	Very low	151 Å²	151	141.3 Å²	141.3	81%	0.807	79%	0.789	S	S	*	*			cis	-152.2	-178.9	41.4	-165.4	13.3	0	0	0	113.5
24	D	35.8	Very low	35.7	Very low	163 Å²	163	143.4 Å²	143.4	87%	0.872	79%	0.793	S	S	*	*			trans	-68.1	156.9	-163.8	-89.4	-35	0	0	0	119.2
25	G	34	Very low	36	Very low	76 Å²	76	144.3 Å²	144.3	78%	0.784	80%	0.8	S	S	*	*			trans	-175.8	110.3	165	0	0	0	0	0	114.1
26	Q	33.8	Very low	36	Very low	184 Å²	184	142.4 Å²	142.4	86%	0.86	80%	0.797	S	S	*	*			trans	-84.4	138.3	178.8	-57.8	179.8	-103.8	0	0	112.1
27	D	33.7	Very low	36.4	Very low	147 Å²	147	141.3 Å²	141.3	79%	0.786	81%	0.807	S	S	*	*				-178.7	162.3	105	-111.6	-28.8	0	0	0	115.5
28	S	34.5	Very low	36.8	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	79%	0.786	S	S	*	*			trans	60	100.3	157.1	-59.7	0	0	0	0	120.8
29	S	36.8	Very low	37.5	Very low	116 Å²	116	135.2 Å²	135.2	81%	0.811	79%	0.787	S	S	*	*			trans	-81.9	166.5	154.4	-95.3	0	0	0	0	111.3
30	P	45.1	Very low	38.2	Very low	119 Å²	119	137 Å²	137	77%	0.773	78%	0.782	S	S	*	*			cis	-136.9	170	31.6	41.7	-24.2	0	0	0	118.1
31	K	32.7	Very low	39.3	Very low	192 Å²	192	137.2 Å²	137.2	84%	0.835	78%	0.778	S	S	*	*			trans	-66.6	150.8	171.5	-63.8	178.2	172.1	-173.9	0	113.2
32	W	32.3	Very low	40	Very low	241 Å²	241	136.4 Å²	136.4	91%	0.913	77%	0.774	S	S	*	*			trans	-121.8	152.8	138.5	-84.8	77.8	0	0	0	109.1
33	P	42	Very low	40.7	Very low	103 Å²	103	132.9 Å²	132.9	67%	0.669	77%	0.766	S	S	*	*			trans	-93.2	175.5	-168.9	38.3	-36.6	0	0	0	114.2
34	D	29.7	Very low	41.8	Very low	160 Å²	160	129.8 Å²	129.8	86%	0.856	75%	0.753	S	S	*	*			trans	-51.1	139.5	-176.6	-44.9	-75.3	0	0	0	114.7	G36	D34-G36 PolarHBondContact O-N 3.18Å
35	S	36.2	Very low	43.2	Very low	133 Å²	133	126.2 Å²	126.2	93%	0.93	74%	0.737	S	S	*	*			trans	-73.3	84.9	172.8	-58.6	0	0	0	0	111.4
36	G	36	Very low	44.6	Very low	67 Å²	67	126 Å²	126	69%	0.691	72%	0.724	S	S	*	*			trans	-72.5	137.4	169.3	0	0	0	0	0	112.4	D34	D34-G36 PolarHBondContact O-N 3.18Å
37	S	43.4	Very low	46.1	Very low	131 Å²	131	125 Å²	125	92%	0.916	71%	0.714	S	S	*	*			trans	-40.1	128.9	175.1	-172.9	0	0	0	0	115.1
38	S	45.8	Very low	47.8	Very low	66 Å²	66	123 Å²	123	46%	0.462	70%	0.702	S	S	.	*			trans	-153	135.2	159.5	-174.9	0	0	0	0	111.3	E42	S38-E42 WeakPolarHBondContact CB-OE1 3.28Å; S38-E42 VanDerWaalsContact OG-CD 3.29Å; S38-E42 PolarHBondContact OG-OE1 3.29Å
39	S	53.6	Low	49.5	Very low	96 Å²	96	121.6 Å²	121.6	67%	0.671	69%	0.689	S	S	*	*	S	Bend	trans	-168.5	-24.5	160.2	58.3	0	0	0	0	114.3
40	E	53	Low	50.7	Low	157 Å²	157	120.1 Å²	120.1	73%	0.734	67%	0.671	S	S	*	*	S	Bend	trans	-97.8	-30.8	-174.5	62.5	-174.4	175.3	0	0	115.7
41	E	56.5	Low	51.4	Low	153 Å²	153	117.5 Å²	117.5	72%	0.715	66%	0.655	S	S	*	*	H	α-helix	trans	-82.3	-22.2	-176.5	-59.2	-169.8	127.6	0	0	113.9	T44 T45	E41-T44 PolarHBondContact O-OG1 2.95Å; E41-T45 PolarHBondContact O-N 3.21Å; E41-T45 PolarHBondContact O-OG1 3.28Å
42	E	53.5	Low	52.7	Low	133 Å²	133	113.1 Å²	113.1	62%	0.621	64%	0.641	S	S	*	*	H	α-helix	trans	-78.3	-39.4	-179.1	-70.3	-178.7	-146.5	0	0	112.3	S38 T44 T45 S46	S38-E42 WeakPolarHBondContact CB-OE1 3.28Å; S38-E42 VanDerWaalsContact OG-CD 3.29Å; S38-E42 PolarHBondContact OG-OE1 3.29Å; E42-T44 PolarHBondContact O-N 3.02Å; E42-T45 PolarHBondContact O-N 3.29Å; E42-S46 PolarHBondContact O-N 3.47Å
43	C	50.8	Low	54.3	Low	89 Å²	89	107.8 Å²	107.8	60%	0.601	63%	0.626	S	S	*	*	H	α-helix	trans	-64.1	-41.9	-179.5	-67.5	0	0	0	0	112.9	S46 Y47	C43-S46 PolarHBondContact O-N 3.42Å; C43-Y47 PolarHBondContact O-N 3.03Å
44	T	58.9	Low	54.9	Low	86 Å²	86	111.8 Å²	111.8	53%	0.528	63%	0.629	S	S	.	*	H	α-helix	trans	-67.5	-38.2	177.4	46.4	0	0	0	0	111.7	E41 E42 Y47 L48	E41-T44 PolarHBondContact O-OG1 2.95Å; E42-T44 PolarHBondContact O-N 3.02Å; T44-Y47 PolarHBondContact O-N 3.25Å; T44-L48 WeakPolarHBondContact O-CG 3.49Å; T44-L48 PolarHBondContact O-N 3.29Å; T44-L48 VanDerWaalsContact O-N 3.09Å
45	T	64.3	Low	56	Low	88 Å²	88	107 Å²	107	54%	0.54	62%	0.617	S	S	.	*	H	α-helix	trans	-65.2	-39.8	175	-57.3	0	0	0	0	111.9	E41 E42 T49	E41-T45 PolarHBondContact O-N 3.21Å; E41-T45 PolarHBondContact O-OG1 3.28Å; E42-T45 PolarHBondContact O-N 3.29Å; T45-T49 PolarHBondContact O-N 3.26Å; T45-T49 VanDerWaalsContact O-N 3.12Å; T45-T49 PolarHBondContact O-OG1 2.89Å
46	S	65.1	Low	56.6	Low	71 Å²	71	107.5 Å²	107.5	50%	0.497	61%	0.605	S	S	.	*	H	α-helix	trans	-63.9	-47.3	175.9	-173.4	0	0	0	0	111.9	E42 C43 L48 T49 L50	E42-S46 PolarHBondContact O-N 3.47Å; C43-S46 PolarHBondContact O-N 3.42Å; S46-L48 PolarHBondContact O-N 2.87Å; S46-T49 WeakPolarHBondContact O-CB 3.24Å; S46-T49 PolarHBondContact O-N 3.11Å; S46-T49 VanDerWaalsContact O-N 3.14Å; S46-L50 PolarHBondContact O-N 3.21Å; S46-L50 VanDerWaalsContact O-N 3.12Å
47	Y	64.9	Low	57.2	Low	165 Å²	165	112.6 Å²	112.6	65%	0.647	61%	0.611	S	S	*	*	H	α-helix	trans	-60.4	-46.3	178	-175	-98.7	0	0	0	112.6	C43 T44 T49 L50 C51	C43-Y47 PolarHBondContact O-N 3.03Å; T44-Y47 PolarHBondContact O-N 3.25Å; Y47-T49 PolarHBondContact O-N 3.5Å; Y47-L50 PolarHBondContact O-N 3.26Å; Y47-C51 PolarHBondContact O-N 3.26Å; Y47-C51 PolarHBondContact O-SG 3.45Å; Y47-C51 VanDerWaalsContact O-SG 3.38Å
48	L	68	Low	57.6	Low	105 Å²	105	115.6 Å²	115.6	55%	0.55	61%	0.608	S	S	.	*	H	α-helix	trans	-65.5	-25.3	177	-70.6	172.7	0	0	0	113.2	T44 S46 N52	T44-L48 WeakPolarHBondContact O-CG 3.49Å; T44-L48 PolarHBondContact O-N 3.29Å; T44-L48 VanDerWaalsContact O-N 3.09Å; S46-L48 PolarHBondContact O-N 2.87Å; L48-N52 PolarHBondContact O-N 3.37Å; L48-N52 PolarHBondContact O-ND2 3.47Å
49	T	71.1	Confident	57.4	Low	83 Å²	83	119.2 Å²	119.2	51%	0.509	62%	0.62	S	S	.	*	H	α-helix	trans	-71.8	-48.2	173.9	-56.5	0	0	0	0	110.6	T45 S46 Y47 C51 N52 E53	T45-T49 PolarHBondContact O-N 3.26Å; T45-T49 VanDerWaalsContact O-N 3.12Å; T45-T49 PolarHBondContact O-OG1 2.89Å; S46-T49 WeakPolarHBondContact O-CB 3.24Å; S46-T49 PolarHBondContact O-N 3.11Å; S46-T49 VanDerWaalsContact O-N 3.14Å; Y47-T49 PolarHBondContact O-N 3.5Å; T49-C51 VanDerWaalsContact C-N 3.33Å; T49-C51 PolarHBondContact O-N 3.11Å; T49-N52 PolarHBondContact O-N 2.85Å; T49-E53 PolarHBondContact O-N 3.29Å
50	L	61.4	Low	56.5	Low	84 Å²	84	124.1 Å²	124.1	44%	0.44	63%	0.632	S	S	.	*	H	α-helix	trans	-58	-41.7	174.9	-82.2	162.8	0	0	0	112.6	S46 Y47 N52 E53 Y54	S46-L50 PolarHBondContact O-N 3.21Å; S46-L50 VanDerWaalsContact O-N 3.12Å; Y47-L50 PolarHBondContact O-N 3.26Å; L50-N52 VanDerWaalsContact C-N 3.28Å; L50-N52 PolarHBondContact O-N 2.82Å; L50-E53 PolarHBondContact O-N 2.78Å; L50-Y54 HydrophobicContact CD2-CE2 4.39Å; L50-Y54 PolarHBondContact O-N 2.96Å
51	C	60.4	Low	55.9	Low	64 Å²	64	122.3 Å²	122.3	43%	0.432	63%	0.634	S	S	.	*	H	α-helix	trans	-63.7	-30.3	175.9	-67.4	0	0	0	0	113.5	Y47 T49 G55	Y47-C51 PolarHBondContact O-N 3.26Å; Y47-C51 PolarHBondContact O-SG 3.45Å; Y47-C51 VanDerWaalsContact O-SG 3.38Å; T49-C51 VanDerWaalsContact C-N 3.33Å; T49-C51 PolarHBondContact O-N 3.11Å; C51-G55 PolarHBondContact O-N 2.83Å
52	N	60.8	Low	54.7	Low	100 Å²	100	118.6 Å²	118.6	54%	0.535	64%	0.637	S	S	.	*	H	α-helix	trans	-78.9	-35.7	175.5	-82.6	-64	0	0	0	112.5	L48 T49 L50 G55 Q56	L48-N52 PolarHBondContact O-N 3.37Å; L48-N52 PolarHBondContact O-ND2 3.47Å; T49-N52 PolarHBondContact O-N 2.85Å; L50-N52 VanDerWaalsContact C-N 3.28Å; L50-N52 PolarHBondContact O-N 2.82Å; N52-G55 PolarHBondContact O-N 3.27Å; N52-Q56 WeakPolarHBondContact O-CG 3.25Å
53	E	64.6	Low	53.5	Low	129 Å²	129	117.6 Å²	117.6	60%	0.603	65%	0.645	S	S	*	*	H	α-helix	trans	-66.2	-53.6	178.5	-169.7	164.2	-146.1	0	0	111.1	T49 L50 G55 Q56	T49-E53 PolarHBondContact O-N 3.29Å; L50-E53 PolarHBondContact O-N 2.78Å; E53-G55 PolarHBondContact O-N 2.84Å; E53-G55 VanDerWaalsContact O-N 3.11Å; E53-Q56 PolarHBondContact O-N 2.97Å; E53-Q56 VanDerWaalsContact O-N 3.11Å
54	Y	54.7	Low	52.5	Low	187 Å²	187	120 Å²	120	73%	0.733	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-16.7	172.4	-85.2	-79.4	0	0	0	114	L50	L50-Y54 HydrophobicContact CD2-CE2 4.39Å; L50-Y54 PolarHBondContact O-N 2.96Å
55	G	53.3	Low	51	Low	59 Å²	59	122.1 Å²	122.1	61%	0.608	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-13.4	175.4	0	0	0	0	0	114.9	C51 N52 E53	C51-G55 PolarHBondContact O-N 2.83Å; N52-G55 PolarHBondContact O-N 3.27Å; E53-G55 PolarHBondContact O-N 2.84Å; E53-G55 VanDerWaalsContact O-N 3.11Å
56	Q	48.6	Very low	49.4	Very low	144 Å²	144	127.3 Å²	127.3	67%	0.673	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	-15	-168.3	-70.2	-177.7	33.1	0	0	115.8	N52 E53 K58	N52-Q56 WeakPolarHBondContact O-CG 3.25Å; E53-Q56 PolarHBondContact O-N 2.97Å; E53-Q56 VanDerWaalsContact O-N 3.11Å; Q56-K58 PolarHBondContact O-N 3.2Å
57	E	48.3	Very low	47.8	Very low	174 Å²	174	132.5 Å²	132.5	81%	0.813	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	38.3	178.8	-67.1	-155.1	126.9	0	0	115.1
58	K	52.5	Low	46.4	Very low	195 Å²	195	129.8 Å²	129.8	85%	0.848	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.8	25.1	178.7	-119.9	171.8	-168.9	172.7	0	117.6	Q56	Q56-K58 PolarHBondContact O-N 3.2Å
59	I	41.7	Very low	44.3	Very low	141 Å²	141	133.6 Å²	133.6	72%	0.723	71%	0.709	S	S	*	*			trans	-135.2	105.7	160.2	-57.2	88.1	0	0	0	110.8
60	E	34.2	Very low	42.2	Very low	199 Å²	199	138.7 Å²	138.7	93%	0.93	73%	0.729	S	S	*	*			trans	-115.7	130.6	150.7	-86.1	-145.1	136.9	0	0	109.4
61	P	40.4	Very low	40.6	Very low	119 Å²	119	143.5 Å²	143.5	77%	0.773	75%	0.747	S	S	*	*			trans	-116.8	119.4	178.6	36.4	-25.3	0	0	0	114.5
62	G	30.5	Very low	39	Very low	75 Å²	75	146.6 Å²	146.6	77%	0.773	76%	0.764	S	S	*	*			trans	134	133.7	138.3	0	0	0	0	0	119.4
63	S	29.1	Very low	37.4	Very low	113 Å²	113	151.1 Å²	151.1	79%	0.79	78%	0.782	S	S	*	*			trans	73.3	133.8	163	-127.4	0	0	0	0	116
64	L	29	Very low	35.6	Very low	140 Å²	140	148.7 Å²	148.7	73%	0.733	79%	0.791	S	S	*	*			cis	-145.9	148.1	35.1	-81.6	159.7	0	0	0	114.3
65	N	28.9	Very low	34.4	Very low	130 Å²	130	148.2 Å²	148.2	70%	0.695	80%	0.801	S	S	*	*			trans	51.2	106.6	143.3	-56.4	-1.2	0	0	0	121.3
66	E	31	Very low	33.2	Very low	196 Å²	196	149 Å²	149	92%	0.916	81%	0.809	S	S	*	*			trans	-86.7	127	134.7	-68.5	-170.7	160.4	0	0	109.5
67	E	31.6	Very low	32.4	Very low	180 Å²	180	148.2 Å²	148.2	84%	0.841	81%	0.814	S	S	*	*			trans	-113.1	135.1	162.2	-85.3	-162.4	156.8	0	0	110.2
68	P	33.6	Very low	31.6	Very low	109 Å²	109	146.5 Å²	146.5	71%	0.708	81%	0.81	S	S	*	*			trans	-119.5	134.9	154.1	7.5	14	0	0	0	113.2
69	F	24.2	Very low	30.7	Very low	185 Å²	185	142.1 Å²	142.1	81%	0.811	80%	0.8	S	S	*	*			trans	75.7	106	156.6	-89.9	-106	0	0	0	121	K71	F69-K71 HydrophobicContact CD1-CB 4.38Å
70	M	27	Very low	30.2	Very low	190 Å²	190	143.9 Å²	143.9	94%	0.936	80%	0.802	S	S	*	*			trans	-104.9	109.4	142.3	-99.4	-78.8	-176	0	0	109.7
71	K	28.8	Very low	30.2	Very low	185 Å²	185	138.4 Å²	138.4	80%	0.804	79%	0.791	S	S	*	*			trans	-145	145.1	157.3	-100.4	-173.8	-179.1	177	0	110.4	F69	F69-K71 HydrophobicContact CD1-CB 4.38Å
72	T	27.4	Very low	29.7	Very low	129 Å²	129	139.8 Å²	139.8	79%	0.791	79%	0.791	S	S	*	*			trans	-87.7	159.2	-158.3	-27.6	0	0	0	0	114.6
73	E	26.3	Very low	29.6	Very low	195 Å²	195	145.2 Å²	145.2	91%	0.911	79%	0.793	S	S	*	*			trans	71.1	133.8	159.8	-81.7	172.6	126.9	0	0	120
74	G	27.3	Very low	29.5	Very low	77 Å²	77	144.6 Å²	144.6	79%	0.794	79%	0.789	S	S	*	*			trans	155.3	94.8	169.1	0	0	0	0	0	115.1
75	N	28	Very low	29.3	Very low	178 Å²	178	147 Å²	147	95%	0.952	79%	0.794	S	S	*	*			trans	-68	147	173.8	-65	-43.4	0	0	0	112.5
76	G	28	Very low	30.3	Very low	75 Å²	75	146.2 Å²	146.2	77%	0.773	80%	0.795	S	S	*	*			trans	179.9	45.8	176.1	0	0	0	0	0	122.4
77	V	33.6	Very low	30.3	Very low	128 Å²	128	140.2 Å²	140.2	78%	0.776	78%	0.78	S	S	*	*			trans	25.2	129.1	142.1	179.1	0	0	0	0	122.2
78	D	31.3	Very low	30.1	Very low	137 Å²	137	139.8 Å²	139.8	73%	0.733	78%	0.777	S	S	*	*			trans	73.8	120.5	151.1	-74.1	-7.7	0	0	0	125.7
79	T	33.1	Very low	29.9	Very low	104 Å²	104	141.9 Å²	141.9	64%	0.638	78%	0.782	S	S	*	*				39.3	151.9	125.5	82.6	0	0	0	0	122.4
80	K	32	Very low	30.1	Very low	177 Å²	177	137.4 Å²	137.4	77%	0.77	78%	0.779	S	S	*	*			cis	-145.4	144.5	16.3	-107.8	123.5	-176.2	166.5	0	108.6
81	A	32.2	Very low	30.2	Very low	85 Å²	85	132.6 Å²	132.6	70%	0.702	77%	0.769	S	S	*	*				51.7	126.1	88.8	0	0	0	0	0	115
82	I	31.1	Very low	30.1	Very low	148 Å²	148	131 Å²	131	76%	0.759	77%	0.769	S	S	*	*				-175.3	151.7	80.2	-91.5	169.3	0	0	0	112.1
83	K	28.5	Very low	30.1	Very low	188 Å²	188	129 Å²	129	82%	0.817	76%	0.761	S	S	*	*			trans	6.2	157.8	147.6	-55.5	179.5	-178.7	-178.2	0	121.3
84	S	26.2	Very low	30.1	Very low	100 Å²	100	126.9 Å²	126.9	70%	0.699	76%	0.756	S	S	*	*			cis	-174.8	161.9	-10.3	49.9	0	0	0	0	112.9
85	F	25.8	Very low	30.4	Very low	191 Å²	191	128.4 Å²	128.4	84%	0.838	75%	0.754	S	S	*	*			trans	-16	167.1	139.6	-68.2	-61.5	0	0	0	119.7
86	P	49.8	Very low	31.1	Very low	113 Å²	113	125.2 Å²	125.2	73%	0.734	74%	0.744	S	S	*	*			cis	-145.5	-165.6	-19.5	35	-11.9	0	0	0	115.8
87	A	29.8	Very low	31.2	Very low	71 Å²	71	126.2 Å²	126.2	59%	0.587	74%	0.739	S	S	*	*				91.9	115.7	128.5	0	0	0	0	0	124.4
88	H	28.6	Very low	31	Very low	170 Å²	170	126.1 Å²	126.1	79%	0.787	74%	0.739	S	S	*	*				77.6	120.7	121.8	-67	-47.1	0	0	0	125.2
89	L	29.6	Very low	31.1	Very low	154 Å²	154	127.6 Å²	127.6	81%	0.806	74%	0.741	S	S	*	*				83	116.8	126	-69	171.3	0	0	0	123.6
90	A	27.7	Very low	31	Very low	90 Å²	90	128.5 Å²	128.5	74%	0.744	74%	0.741	S	S	*	*				78.9	145.9	125.4	0	0	0	0	0	122.6
91	A	29	Very low	30.9	Very low	90 Å²	90	130.7 Å²	130.7	74%	0.744	75%	0.745	S	S	*	*			trans	67.3	150.4	167.7	0	0	0	0	0	116.5
92	D	26.2	Very low	30.9	Very low	150 Å²	150	130.5 Å²	130.5	80%	0.802	74%	0.743	S	S	*	*			cis	-156.4	169.2	-8.2	-128.4	-34.8	0	0	0	112.3
93	S	27.4	Very low	30.9	Very low	88 Å²	88	130.8 Å²	130.8	62%	0.615	74%	0.741	S	S	*	*			trans	59	157.1	151.9	85.9	0	0	0	0	125.1
94	D	27.6	Very low	30.9	Very low	150 Å²	150	128.3 Å²	128.3	80%	0.802	73%	0.732	S	S	*	*			trans	76.8	116.2	149.2	-55.3	-40.8	0	0	0	124.5
95	S	33	Very low	31.2	Very low	109 Å²	109	129.2 Å²	129.2	76%	0.762	73%	0.729	S	S	*	*			trans	-77.6	166.6	146.7	-66.4	0	0	0	0	109.7
96	P	42.9	Very low	31.3	Very low	112 Å²	112	127.3 Å²	127.3	73%	0.727	72%	0.72	S	S	*	*			cis	-156.8	-170.9	40.4	42.1	-18.4	0	0	0	118.6
97	S	29.5	Very low	30.2	Very low	96 Å²	96	130.7 Å²	130.7	67%	0.671	72%	0.723	S	S	*	*			trans	67.4	123.8	148.4	60.3	0	0	0	0	120.7
98	T	29.6	Very low	30.3	Very low	126 Å²	126	136.5 Å²	136.5	77%	0.773	74%	0.736	S	S	*	*				98.3	143.2	62.5	-43.3	0	0	0	0	111.6
99	Q	32.9	Very low	31	Very low	168 Å²	168	133.5 Å²	133.5	79%	0.785	73%	0.731	S	S	*	*			trans	78.5	153.4	166.2	-54.1	-163.1	1	0	0	117.2
100	L	30.7	Very low	30.9	Very low	122 Å²	122	132.7 Å²	132.7	64%	0.639	73%	0.728	S	S	*	*			cis	-168.9	161.6	-22.6	-109.7	174.4	0	0	0	109.3
101	R	30.7	Very low	30.9	Very low	224 Å²	224	135 Å²	135	85%	0.845	73%	0.727	S	S	*	*			trans	65.8	167.7	159.7	-69.2	171.1	-179.2	164.3	1	115.2
102	A	33.2	Very low	31.3	Very low	80 Å²	80	138.4 Å²	138.4	66%	0.661	73%	0.733	S	S	*	*			cis	-145.1	159.7	6.6	0	0	0	0	0	113.4
103	H	29.3	Very low	31.9	Very low	155 Å²	155	137.2 Å²	137.2	72%	0.718	73%	0.734	S	S	*	*				8.7	150.2	125.5	-64.3	-91.1	0	0	0	119.4
104	E	29.5	Very low	32	Very low	135 Å²	135	141.8 Å²	141.8	63%	0.631	75%	0.745	S	S	*	*			cis	175.1	177.3	-5.3	-175.7	-177.4	-80.9	0	0	106.9
105	L	32.6	Very low	32.2	Very low	120 Å²	120	139 Å²	139	63%	0.628	74%	0.743	S	S	*	*			trans	74.4	149.2	164.3	-48.2	175.9	0	0	0	115.3
106	K	28	Very low	32.1	Very low	150 Å²	150	140.1 Å²	140.1	65%	0.652	75%	0.745	S	S	*	*			cis	-165.9	177.2	-6.5	-125.5	169.7	-179.3	155.4	0	111.4
107	F	27.4	Very low	31.2	Very low	185 Å²	185	140.7 Å²	140.7	81%	0.811	75%	0.752	S	S	*	*			trans	77	95.6	156.5	-65.5	-58.8	0	0	0	120.4
108	F	31.3	Very low	31.4	Very low	193 Å²	193	141.1 Å²	141.1	85%	0.846	76%	0.755	S	S	*	*				-60.7	168.3	127.9	-69.7	-75.7	0	0	0	110.6
109	P	44	Very low	32.4	Very low	106 Å²	106	140.1 Å²	140.1	69%	0.688	75%	0.75	S	S	*	*			cis	-149.6	174.6	27.9	45.1	-25.2	0	0	0	119.8
110	N	26.6	Very low	32.3	Very low	137 Å²	137	142.9 Å²	142.9	73%	0.733	75%	0.753	S	S	*	*			trans	73.2	156.1	136.6	-91.6	50	0	0	0	124.7
111	D	27.8	Very low	32.1	Very low	138 Å²	138	143 Å²	143	74%	0.738	76%	0.76	S	S	*	*			trans	77.8	102.4	156	-54	-17.2	0	0	0	120.4
112	D	36.6	Very low	32.1	Very low	162 Å²	162	137.8 Å²	137.8	87%	0.866	76%	0.757	S	S	*	*			trans	-63.2	150.4	148.9	-69.6	-65.9	0	0	0	110.5
113	P	39.9	Very low	32	Very low	125 Å²	125	141.2 Å²	141.2	81%	0.812	76%	0.764	S	S	*	*				-149.8	180	98.8	39.3	-22.1	0	0	0	115.9
114	E	29.3	Very low	32.2	Very low	185 Å²	185	139 Å²	139	86%	0.864	77%	0.766	S	S	*	*			trans	-66.6	146	-177	-56.8	170.5	99	0	0	115.6
115	A	31.9	Very low	32.3	Very low	92 Å²	92	140.6 Å²	140.6	76%	0.76	78%	0.778	S	S	*	*				35.7	152.4	129.2	0	0	0	0	0	121.7
116	V	30	Very low	32.3	Very low	132 Å²	132	141 Å²	141	80%	0.8	79%	0.791	S	S	*	*			cis	-149.8	149.7	13	178.1	0	0	0	0	108.8
117	S	24.6	Very low	32.5	Very low	123 Å²	123	145.5 Å²	145.5	86%	0.86	80%	0.804	S	S	*	*			trans	-152.1	153.3	144.7	56.8	0	0	0	0	112.1
118	S	34.3	Very low	32.9	Very low	105 Å²	105	141.8 Å²	141.8	73%	0.734	80%	0.801	S	S	*	*			trans	-144.9	-173.4	-165.9	69.3	0	0	0	0	110.4
119	P	50.5	Low	33.1	Very low	105 Å²	105	141.3 Å²	141.3	68%	0.682	80%	0.799	S	S	*	*			cis	-134.3	174.5	-8.4	41.7	-27.1	0	0	0	114.7
120	R	29.5	Very low	32.7	Very low	226 Å²	226	143.8 Å²	143.8	85%	0.853	81%	0.806	S	S	*	*			trans	172.8	130.7	135	-99.5	163.3	-176.5	174.3	2.1	114.5
121	T	28.1	Very low	33.1	Very low	126 Å²	126	142.7 Å²	142.7	77%	0.773	81%	0.809	S	S	*	*			trans	36.5	132	142.2	60.3	0	0	0	0	120.1
122	S	29.9	Very low	33.8	Very low	113 Å²	113	141.5 Å²	141.5	79%	0.79	81%	0.809	S	S	*	*			cis	-156.7	168.4	21.9	-28.9	0	0	0	0	112.4
123	D	31.2	Very low	33.6	Very low	152 Å²	152	143 Å²	143	81%	0.813	81%	0.813	S	S	*	*			trans	-94.6	172.8	-165.9	-52.3	-86.8	0	0	0	118
124	S	33.3	Very low	33.6	Very low	108 Å²	108	143.6 Å²	143.6	76%	0.755	81%	0.805	S	S	*	*			trans	92.7	98.2	148	-59.3	0	0	0	0	121.4
125	L	31.1	Very low	34.2	Very low	169 Å²	169	144.2 Å²	144.2	89%	0.885	81%	0.805	S	S	*	*				30.2	126.7	117.6	-60.9	170.9	0	0	0	119.9
126	S	32.9	Very low	34.6	Very low	128 Å²	128	149.3 Å²	149.3	90%	0.895	81%	0.811	S	S	*	*				-174	171.6	121.1	44.2	0	0	0	0	113.5
127	R	33.2	Very low	35.1	Very low	245 Å²	245	153 Å²	153	93%	0.925	81%	0.81	S	S	*	*			trans	-81.4	166.2	-171.9	-61.1	167.7	168.8	160.4	-7.6	114.1
128	S	34.3	Very low	36.1	Very low	107 Å²	107	154 Å²	154	75%	0.748	81%	0.805	S	S	*	*			trans	99.2	157.6	139.5	-157.9	0	0	0	0	119.6
129	K	36.6	Very low	36.3	Very low	183 Å²	183	156 Å²	156	80%	0.796	81%	0.807	S	S	*	*			trans	80.8	121.2	177.4	-56.3	176.4	-176.5	179.2	0	114.5
130	N	35.3	Very low	35.7	Very low	158 Å²	158	156.5 Å²	156.5	85%	0.845	81%	0.813	S	S	*	*			cis	87	116	45.9	-71.9	30.7	0	0	0	113.2
131	S	33.8	Very low	36.2	Very low	114 Å²	114	154.3 Å²	154.3	80%	0.797	81%	0.81	S	S	*	*			trans	-170.9	156.5	159.9	-144	0	0	0	0	109.9
132	P	43.6	Very low	36.7	Very low	113 Å²	113	156 Å²	156	73%	0.734	81%	0.814	S	S	*	*				-136.3	124	-59.5	36.1	-21.1	0	0	0	113.1
133	M	32.3	Very low	37	Very low	193 Å²	193	156.7 Å²	156.7	95%	0.951	82%	0.818	S	S	*	*			trans	-154.5	34.5	162.9	-128.7	172.2	78.3	0	0	116.3	F135	M133-F135 PolarHBondContact O-N 2.84Å
134	E	39.7	Very low	37.2	Very low	139 Å²	139	154.4 Å²	154.4	65%	0.65	82%	0.821	S	S	*	*			trans	-79.4	105.3	153.5	-80	-158.2	100.4	0	0	108.9	R137	E134-R137 IonicContact OE1-CZ 3.87Å; E134-R137 IonicContact OE1-NE 3.15Å; E134-R137 PolarHBondContact OE1-NE 2.81Å; E134-R137 IonicContact OE1-NH2 3.11Å; E134-R137 PolarHBondContact OE1-NH2 3.42Å; E134-R137 IonicContact OE2-NH2 2.75Å
135	F	41.2	Very low	37.2	Very low	197 Å²	197	154.3 Å²	154.3	86%	0.864	82%	0.82	S	S	*	*			trans	-157.9	26.9	156.2	-113.1	-61.6	0	0	0	116.1	M133	M133-F135 PolarHBondContact O-N 2.84Å
136	F	40.2	Very low	37.5	Very low	200 Å²	200	155 Å²	155	88%	0.877	82%	0.819	S	S	*	*			trans	-128.9	76.2	164.3	-75.5	-71.1	0	0	0	111.2
137	R	42.2	Very low	37.6	Very low	209 Å²	209	156 Å²	156	79%	0.789	81%	0.814	S	S	*	*			trans	-104.2	108.8	154.2	-60.4	-173.4	-168.5	-167.3	4.8	106.5	E134	E134-R137 IonicContact OE1-CZ 3.87Å; E134-R137 IonicContact OE1-NE 3.15Å; E134-R137 PolarHBondContact OE1-NE 2.81Å; E134-R137 IonicContact OE1-NH2 3.11Å; E134-R137 PolarHBondContact OE1-NH2 3.42Å; E134-R137 IonicContact OE2-NH2 2.75Å
138	I	43.8	Very low	37.5	Very low	145 Å²	145	153 Å²	153	74%	0.744	82%	0.815	S	S	*	*			trans	-94.2	121.1	165.9	-62.5	179.9	0	0	0	106.4
139	D	39.2	Very low	37.4	Very low	146 Å²	146	150.8 Å²	150.8	78%	0.781	81%	0.809	S	S	*	*			trans	-78.5	136.7	176.6	-163.7	-7.6	0	0	0	109.4
140	S	38	Very low	37.3	Very low	115 Å²	115	149.9 Å²	149.9	80%	0.804	81%	0.812	S	S	*	*			trans	-151.4	63.5	-178.1	-78.8	0	0	0	0	110.4
141	K	41.1	Very low	37.1	Very low	181 Å²	181	149.3 Å²	149.3	79%	0.787	81%	0.809	S	S	*	*			trans	-123	85.2	163.1	-172.1	-177.6	178.7	175.8	0	110.8
142	D	37.2	Very low	37	Very low	161 Å²	161	154.3 Å²	154.3	86%	0.861	82%	0.817	S	S	*	*			trans	-167.2	103.3	147.2	-103.2	-19.3	0	0	0	111.6
143	S	37.5	Very low	36.4	Very low	127 Å²	127	152.1 Å²	152.1	89%	0.888	82%	0.815	S	S	*	*			trans	-174.9	122.6	145.1	-108.7	0	0	0	0	109
144	A	34.9	Very low	36.5	Very low	105 Å²	105	151.9 Å²	151.9	87%	0.868	81%	0.811	S	S	*	*			trans	-128.6	117.8	176	0	0	0	0	0	110
145	S	33.8	Very low	36.1	Very low	106 Å²	106	154.2 Å²	154.2	74%	0.741	82%	0.82	S	S	*	*			trans	-159.2	131.1	168	55.2	0	0	0	0	109.3
146	E	36.4	Very low	35.7	Very low	184 Å²	184	152.6 Å²	152.6	86%	0.86	82%	0.819	S	S	*	*			trans	32.5	132.8	143.9	-77.5	173.6	144.8	0	0	119.9
147	L	34.8	Very low	35.3	Very low	149 Å²	149	153 Å²	153	78%	0.78	82%	0.816	S	S	*	*			cis	-162.4	115.5	19.4	-166.1	160.9	0	0	0	110.9
148	L	32.5	Very low	34.7	Very low	181 Å²	181	148.7 Å²	148.7	95%	0.948	82%	0.818	S	S	*	*			trans	-144.9	145.5	159.6	-81.8	-177	0	0	0	110
149	G	31.7	Very low	34	Very low	61 Å²	61	149.8 Å²	149.8	63%	0.629	83%	0.825	S	S	*	*			trans	-153.3	150.1	173.2	0	0	0	0	0	110.8
150	L	33.4	Very low	33.5	Very low	163 Å²	163	152.7 Å²	152.7	85%	0.853	83%	0.83	S	S	*	*			trans	70	90.3	-175.3	-45	-179.4	0	0	0	112.2
151	D	31.7	Very low	33.1	Very low	146 Å²	146	152.9 Å²	152.9	78%	0.781	83%	0.831	S	S	*	*				53.5	111.3	78.7	-74.1	-35.4	0	0	0	114.1
152	F	31	Very low	32.5	Very low	219 Å²	219	153.3 Å²	153.3	96%	0.961	84%	0.836	S	S	*	*				-140	122.8	129.7	-115.2	-78.4	0	0	0	110.1
153	G	31.4	Very low	32.5	Very low	68 Å²	68	151.3 Å²	151.3	70%	0.701	83%	0.832	S	S	*	*			trans	-88.8	147.3	-171.3	0	0	0	0	0	114.4
154	E	34.4	Very low	32.1	Very low	187 Å²	187	153.3 Å²	153.3	87%	0.874	83%	0.832	S	S	*	*			trans	-27.3	140.5	167.7	-54.2	171.7	145.6	0	0	116.4
155	K	30.8	Very low	31.9	Very low	189 Å²	189	157.8 Å²	157.8	82%	0.822	83%	0.832	S	S	*	*			trans	-148	106.3	147.2	-126	169.9	-171.6	173.1	0	113
156	L	32.8	Very low	32.1	Very low	162 Å²	162	157.7 Å²	157.7	85%	0.848	83%	0.829	S	S	*	*			trans	-64.3	137.4	174.7	-67	158.9	0	0	0	111.4
157	Y	32.2	Very low	31.7	Very low	209 Å²	209	158.9 Å²	158.9	82%	0.82	83%	0.832	S	S	*	*			trans	-126.8	105.1	159.6	-91	-79.6	0	0	0	110.4	L159	Y157-L159 PolarHBondContact O-N 2.77Å
158	S	29.8	Very low	31.5	Very low	119 Å²	119	161.4 Å²	161.4	83%	0.832	84%	0.837	S	S	*	*			trans	-85.4	97.5	172.5	38.3	0	0	0	0	110.2	K160	S158-K160 PolarHBondContact O-N 3.02Å
159	L	30	Very low	31.3	Very low	168 Å²	168	159.8 Å²	159.8	88%	0.88	83%	0.834	S	S	*	*			trans	-76.7	117.2	171.7	-75.1	169.7	0	0	0	110.3	Y157	Y157-L159 PolarHBondContact O-N 2.77Å
160	K	27.1	Very low	31.2	Very low	206 Å²	206	164.8 Å²	164.8	90%	0.896	85%	0.846	S	S	*	*			trans	-107.9	130.3	159.1	-82.9	-165.9	169.4	-167.1	0	109.2	S158	S158-K160 PolarHBondContact O-N 3.02Å
161	S	29.8	Very low	32	Very low	119 Å²	119	162.5 Å²	162.5	83%	0.832	84%	0.841	S	S	*	*			trans	-84.8	142.6	170.9	44.4	0	0	0	0	111.1
162	E	29.3	Very low	31.9	Very low	190 Å²	190	163.7 Å²	163.7	89%	0.888	85%	0.847	S	S	*	*			trans	-146.1	159.3	160.2	-94.9	-163.5	147	0	0	109.2
163	P	36.2	Very low	31.8	Very low	120 Å²	120	156.2 Å²	156.2	78%	0.779	83%	0.831	S	S	*	*			trans	-113.7	167.7	-131.4	39.2	-34	0	0	0	116.8
164	L	29.4	Very low	31.6	Very low	169 Å²	169	160.6 Å²	160.6	89%	0.885	84%	0.839	S	S	*	*			trans	-70.5	145.1	170.9	-63.5	169.8	0	0	0	112.6
165	K	31.9	Very low	31.5	Very low	198 Å²	198	157.1 Å²	157.1	86%	0.861	84%	0.835	S	S	*	*			trans	-158	154.4	133.6	-109.4	165	-175.8	176.7	0	111
166	P	38.2	Very low	31.5	Very low	105 Å²	105	152.5 Å²	152.5	68%	0.682	83%	0.832	S	S	*	*			trans	-98.4	174.7	-163.9	39.7	-37.1	0	0	0	113.2
167	F	27.7	Very low	31.5	Very low	209 Å²	209	149.7 Å²	149.7	92%	0.917	83%	0.826	S	S	*	*			trans	-158.6	151.6	139.5	-97	-61.8	0	0	0	112.7
168	F	29.7	Very low	31.4	Very low	202 Å²	202	150.7 Å²	150.7	89%	0.886	83%	0.829	S	S	*	*			trans	-87.3	143.7	167.1	-79.9	-104.9	0	0	0	110.7
169	T	28.6	Very low	31.3	Very low	146 Å²	146	148.9 Å²	148.9	90%	0.896	82%	0.816	S	S	*	*			trans	-160.9	160.3	141.7	7.8	0	0	0	0	112.7
170	L	30.4	Very low	31.2	Very low	167 Å²	167	150.1 Å²	150.1	87%	0.874	81%	0.814	S	S	*	*			trans	-79.9	165.3	178.7	-111.1	67.3	0	0	0	112.9
171	P	50	Low	31.2	Very low	114 Å²	114	147.1 Å²	147.1	74%	0.74	81%	0.809	S	S	*	*			trans	-95.4	145.2	-176.7	37.1	-32.6	0	0	0	114.4
172	D	28.2	Very low	31.2	Very low	172 Å²	172	147.7 Å²	147.7	92%	0.92	81%	0.807	S	S	*	*			trans	-162.2	154.5	149.8	-113.5	-27.4	0	0	0	105.4
173	G	29.4	Very low	31.3	Very low	61 Å²	61	143.4 Å²	143.4	63%	0.629	80%	0.798	S	S	*	*			cis	162.3	132	0.8	0	0	0	0	0	107.3
174	D	28.6	Very low	31.2	Very low	161 Å²	161	146.2 Å²	146.2	86%	0.861	80%	0.801	S	S	*	*			trans	13.7	129.5	174.5	-65.7	-27.6	0	0	0	119.2
175	S	31.8	Very low	31.2	Very low	113 Å²	113	142.4 Å²	142.4	79%	0.79	79%	0.788	S	S	*	*				175.9	160.5	69.8	40.9	0	0	0	0	114.3
176	A	29.8	Very low	31.1	Very low	92 Å²	92	141.2 Å²	141.2	76%	0.76	78%	0.783	S	S	*	*			trans	5.8	144.4	151.7	0	0	0	0	0	119.9
177	S	33.1	Very low	30.8	Very low	104 Å²	104	141.3 Å²	141.3	73%	0.727	78%	0.782	S	S	*	*				-178.5	163.9	52.6	60.2	0	0	0	0	115.2
178	R	30.2	Very low	30.7	Very low	229 Å²	229	138.5 Å²	138.5	86%	0.864	77%	0.771	S	S	*	*			trans	29.8	112.6	143.8	-76.3	178.1	173.1	138.3	0.5	118.6
179	S	28.5	Very low	30.7	Very low	81 Å²	81	137.8 Å²	137.8	57%	0.566	77%	0.768	S	S	*	*				80.4	124.1	76	169.6	0	0	0	0	114.5
180	F	27.6	Very low	30.5	Very low	194 Å²	194	139.2 Å²	139.2	85%	0.851	76%	0.762	S	S	*	*				-164.8	155.2	107.6	-105.8	-71.2	0	0	0	112.9
181	N	27.7	Very low	30.5	Very low	144 Å²	144	134.7 Å²	134.7	77%	0.77	75%	0.748	S	S	*	*			trans	-113.1	152.7	-174.4	-54	-35.2	0	0	0	112.2
182	T	29	Very low	29.5	Very low	130 Å²	130	136.5 Å²	136.5	80%	0.798	75%	0.747	S	S	*	*			trans	-159.3	110.9	147.1	31.2	0	0	0	0	106.9
183	S	31.2	Very low	29.5	Very low	101 Å²	101	134.1 Å²	134.1	71%	0.706	74%	0.735	S	S	*	*				67.4	135.1	76.7	73	0	0	0	0	113.3
184	E	33.5	Very low	29.7	Very low	179 Å²	179	136.4 Å²	136.4	84%	0.836	74%	0.736	S	S	*	*			cis	-159.4	172	-1.4	-132.7	-164.2	-75.5	0	0	107.1
185	S	30.2	Very low	30	Very low	88 Å²	88	136 Å²	136	62%	0.615	73%	0.732	S	S	*	*			cis	-157.7	-161.6	14.2	52.4	0	0	0	0	108.2
186	K	29.8	Very low	30	Very low	174 Å²	174	135.9 Å²	135.9	76%	0.757	73%	0.731	S	S	*	*			cis	-166.7	164.9	11.3	-144.2	174.5	170.2	177.6	0	111.3
187	V	31.1	Very low	30.4	Very low	107 Å²	107	143.5 Å²	143.5	65%	0.648	74%	0.741	S	S	*	*			trans	27.3	135.4	142.4	162.3	0	0	0	0	120.3
188	E	26.5	Very low	30.3	Very low	150 Å²	150	142.2 Å²	142.2	70%	0.701	74%	0.743	S	S	*	*			cis	-158.5	163.4	-9.9	-101.5	175.8	130.4	0	0	106.2
189	F	29.2	Very low	30.6	Very low	187 Å²	187	136.8 Å²	136.8	82%	0.82	74%	0.741	S	S	*	*				-165.9	179.4	59.9	-128.2	-87.1	0	0	0	112.1
190	K	25.8	Very low	31	Very low	175 Å²	175	140.7 Å²	140.7	76%	0.761	76%	0.755	S	S	*	*			trans	-101.4	162	-178.5	-146.1	175.6	170.9	-178.9	0	110.5
191	A	30.3	Very low	31.3	Very low	72 Å²	72	138.8 Å²	138.8	60%	0.595	75%	0.754	S	S	*	*			cis	-153.9	167.3	22.6	0	0	0	0	0	112.1
192	Q	27.9	Very low	31.9	Very low	152 Å²	152	136.7 Å²	136.7	71%	0.71	75%	0.751	S	S	*	*				44.9	139.5	106.5	-57.6	-178.3	-99.5	0	0	116.6
193	D	27.6	Very low	32.3	Very low	123 Å²	123	136.5 Å²	136.5	66%	0.658	75%	0.749	S	S	*	*			cis	-162.2	177	22.8	-138.8	-39.8	0	0	0	115.2
194	T	35.3	Very low	32.8	Very low	108 Å²	108	137.5 Å²	137.5	66%	0.663	75%	0.753	S	S	*	*			trans	70.6	107.3	155.6	52.9	0	0	0	0	125
195	I	33.1	Very low	33	Very low	153 Å²	153	135.3 Å²	135.3	79%	0.785	75%	0.752	S	S	*	*				69.1	118.1	117.3	-63.1	169.1	0	0	0	122.7
196	S	32.6	Very low	33.5	Very low	110 Å²	110	138.1 Å²	138.1	77%	0.769	76%	0.758	S	S	*	*			trans	44.4	118.3	143.9	-58.1	0	0	0	0	123.6
197	R	37.9	Very low	33.9	Very low	253 Å²	253	134.6 Å²	134.6	96%	0.955	76%	0.755	S	S	*	*				-157.1	142.8	102	-115.9	176.9	164.8	111.7	-5.2	110.8
198	G	30.6	Very low	34.3	Very low	76 Å²	76	139 Å²	139	78%	0.784	77%	0.766	S	S	*	*			trans	-106.6	155.9	174.6	0	0	0	0	0	111.3
199	S	36.6	Very low	35.2	Very low	116 Å²	116	140.6 Å²	140.6	81%	0.811	77%	0.771	S	S	*	*			trans	-163.4	76.8	175.6	-174.5	0	0	0	0	109.4	D201	S199-D201 PolarHBondContact O-N 3.45Å
200	D	37.9	Very low	35.8	Very low	163 Å²	163	139.8 Å²	139.8	87%	0.872	78%	0.775	S	S	*	*			trans	-72.8	121.5	164.2	-64.7	-57.1	0	0	0	107.9
201	D	34.4	Very low	36.7	Very low	154 Å²	154	136.2 Å²	136.2	82%	0.824	78%	0.778	S	S	*	*			trans	-82.1	143.5	-176.3	-159.3	-6.6	0	0	0	110.7	S199	S199-D201 PolarHBondContact O-N 3.45Å
202	S	39.7	Very low	37.4	Very low	100 Å²	100	136.2 Å²	136.2	70%	0.699	78%	0.778	S	S	*	*			trans	-157	95.4	-172.7	-76.7	0	0	0	0	112.7
203	V	37.8	Very low	37.8	Very low	125 Å²	125	138.6 Å²	138.6	76%	0.758	79%	0.787	S	S	*	*			trans	19.8	104.8	152.2	-170.2	0	0	0	0	115.9	V205	V203-V205 PolarHBondContact O-N 2.74Å
204	P	41	Very low	38.2	Very low	123 Å²	123	140.8 Å²	140.8	80%	0.799	80%	0.798	S	S	*	*			trans	-72.2	115.1	177.7	29.1	-33.6	0	0	0	111.8
205	V	38.1	Very low	38.2	Very low	132 Å²	132	142.6 Å²	142.6	80%	0.8	80%	0.804	S	S	*	*			trans	-93.3	109	168.3	179	0	0	0	0	109	V203	V203-V205 PolarHBondContact O-N 2.74Å
206	I	40.7	Very low	38.3	Very low	147 Å²	147	140.8 Å²	140.8	75%	0.754	80%	0.8	S	S	*	*			trans	-72.9	137	174.3	47.8	173.5	0	0	0	111.3
207	S	37.2	Very low	38.3	Very low	100 Å²	100	141.4 Å²	141.4	70%	0.699	80%	0.804	S	S	*	*			trans	-122.8	131.3	178.9	-161.9	0	0	0	0	110.3	K209	S207-K209 VanDerWaalsContact C-N 3.28Å; S207-K209 PolarHBondContact O-N 2.69Å
208	F	39.3	Very low	38.1	Very low	200 Å²	200	132.7 Å²	132.7	88%	0.877	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	69.2	-172.2	-70.9	-90.1	0	0	0	113.2
209	K	45.6	Very low	38.3	Very low	184 Å²	184	135.5 Å²	135.5	80%	0.8	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.2	-18.7	172.5	-78	-167.8	173.8	175.3	0	116.8	S207 A211	S207-K209 VanDerWaalsContact C-N 3.28Å; S207-K209 PolarHBondContact O-N 2.69Å; K209-A211 PolarHBondContact O-N 3.3Å
210	D	42.5	Very low	38.3	Very low	170 Å²	170	136.9 Å²	136.9	91%	0.909	79%	0.793	S	S	*	*			trans	-95.4	61	178.5	-67.6	-26.1	0	0	0	111.7
211	A	44.8	Very low	38.4	Very low	100 Å²	100	137.8 Å²	137.8	83%	0.826	79%	0.792	S	S	*	*			trans	-137.6	42.1	179.1	0	0	0	0	0	112.4	K209	K209-A211 PolarHBondContact O-N 3.3Å
212	A	43.7	Very low	38.3	Very low	71 Å²	71	133.6 Å²	133.6	59%	0.587	79%	0.786	S	S	*	*	S	Bend	trans	-155	141.2	170.1	0	0	0	0	0	109.6
213	F	37.9	Very low	38.6	Very low	203 Å²	203	140.8 Å²	140.8	89%	0.89	80%	0.797	S	S	*	*			trans	64.8	126.2	-167	-44.2	-79.4	0	0	0	111.5
214	D	36.3	Very low	39.1	Very low	169 Å²	169	140.4 Å²	140.4	90%	0.904	80%	0.798	S	S	*	*			cis	-122.3	171.7	41.6	-103.4	-30.8	0	0	0	115.8
215	D	33.9	Very low	38.9	Very low	145 Å²	145	141 Å²	141	78%	0.775	79%	0.794	S	S	*	*			trans	-140.7	153	179	-170.2	15.4	0	0	0	112
216	V	35.6	Very low	39	Very low	116 Å²	116	143 Å²	143	70%	0.703	80%	0.8	S	S	*	*			trans	60.2	105.9	172.1	-163.8	0	0	0	0	118.9
217	S	33.9	Very low	38.8	Very low	123 Å²	123	143 Å²	143	86%	0.86	80%	0.8	S	S	*	*				170.1	134.1	107.1	46.3	0	0	0	0	114.2
218	G	33.3	Very low	38.8	Very low	69 Å²	69	143.8 Å²	143.8	71%	0.711	80%	0.8	S	S	*	*			trans	147.7	71.4	166.5	0	0	0	0	0	118.4
219	T	35.1	Very low	38.5	Very low	135 Å²	135	141.3 Å²	141.3	83%	0.828	80%	0.796	S	S	*	*			trans	17.6	117	143.3	51.8	0	0	0	0	119.4
220	D	35.1	Very low	38.1	Very low	146 Å²	146	140.4 Å²	140.4	78%	0.781	80%	0.799	S	S	*	*				101.2	144.2	88.7	-163.4	41.4	0	0	0	110.5
221	E	40.7	Very low	38.1	Very low	181 Å²	181	138.8 Å²	138.8	85%	0.846	80%	0.798	S	S	*	*			cis	-145.4	154.8	3.8	-163.2	178.3	-158.3	0	0	107.6
222	G	33.2	Very low	37.3	Very low	67 Å²	67	137.3 Å²	137.3	69%	0.691	79%	0.792	S	S	*	*			trans	-151.3	-58.3	-166.3	0	0	0	0	0	122.4
223	R	45.5	Very low	36.6	Very low	250 Å²	250	143.1 Å²	143.1	94%	0.943	81%	0.807	S	S	*	*			trans	70.4	164.8	-173	-58.1	-178.4	171	-164.6	-2.7	117.8
224	P	47.3	Very low	36.2	Very low	118 Å²	118	141.4 Å²	141.4	77%	0.766	81%	0.807	S	S	*	*			cis	-124	167.4	-19.9	28.6	-9.4	0	0	0	114.7
225	D	38	Very low	36	Very low	136 Å²	136	141.7 Å²	141.7	73%	0.727	80%	0.803	S	S	*	*			trans	-75.2	162.8	175.9	-41.4	-101.4	0	0	0	114.8
226	L	40.4	Very low	35.7	Very low	174 Å²	174	139.8 Å²	139.8	91%	0.911	80%	0.801	S	S	*	*				-156.2	141.4	111.1	-106.5	165.9	0	0	0	112.5
227	L	36.8	Very low	35.4	Very low	147 Å²	147	139.1 Å²	139.1	77%	0.77	80%	0.797	S	S	*	*			trans	-83.8	179.3	-174.1	-67.3	154.5	0	0	0	111
228	V	37.2	Very low	35.4	Very low	115 Å²	115	143 Å²	143	70%	0.697	79%	0.793	S	S	*	*				-175.5	131.9	72.5	162.3	0	0	0	0	112.5
229	N	31.8	Very low	35.1	Very low	148 Å²	148	147 Å²	147	79%	0.791	79%	0.793	S	S	*	*			trans	67.1	114.7	155.6	-62.7	-7.3	0	0	0	124
230	L	36.8	Very low	34.8	Very low	166 Å²	166	145 Å²	145	87%	0.869	79%	0.79	S	S	*	*			trans	-90.5	166.2	134.1	-70.3	164.3	0	0	0	109.2
231	P	43.2	Very low	34.6	Very low	135 Å²	135	142.6 Å²	142.6	88%	0.877	79%	0.791	S	S	*	*				-154.1	171.5	88.5	40.3	-21.3	0	0	0	117.1
232	G	27.3	Very low	34.1	Very low	69 Å²	69	138.5 Å²	138.5	71%	0.711	79%	0.787	S	S	*	*			trans	127.2	84.4	165.7	0	0	0	0	0	113.9
233	E	29.6	Very low	33.9	Very low	193 Å²	193	144.5 Å²	144.5	90%	0.902	80%	0.8	S	S	*	*				54.1	109.9	94	-76.3	-165.4	139.4	0	0	116.3
234	L	30.3	Very low	33	Very low	168 Å²	168	135.5 Å²	135.5	88%	0.88	79%	0.785	S	S	*	*				-171.4	138.6	98.1	-171	64.6	0	0	0	111.1
235	E	31.5	Very low	33.2	Very low	174 Å²	174	136 Å²	136	81%	0.813	79%	0.788	S	S	*	*			trans	-110.1	140.1	174.7	-173	-170.5	-143.1	0	0	110.7
236	S	27.5	Very low	32.8	Very low	106 Å²	106	136.6 Å²	136.6	74%	0.741	80%	0.797	S	S	*	*			trans	-169.5	158.9	146	55.5	0	0	0	0	113.1
237	T	28.7	Very low	32.4	Very low	101 Å²	101	137.7 Å²	137.7	62%	0.62	79%	0.794	S	S	*	*			cis	-178	113.5	-33.4	-82.6	0	0	0	0	107.3
238	R	33.4	Very low	31.9	Very low	206 Å²	206	140.6 Å²	140.6	78%	0.777	80%	0.801	S	S	*	*			trans	56.3	172.8	151.5	-67.5	173.8	178.5	-136	9.8	117.6
239	E	28.4	Very low	31.6	Very low	152 Å²	152	140.4 Å²	140.4	71%	0.71	80%	0.8	S	S	*	*			cis	-145.5	162.2	-14	-127.9	149.2	-166.9	0	0	111.4
240	A	28.7	Very low	31.5	Very low	93 Å²	93	140.9 Å²	140.9	77%	0.769	80%	0.798	S	S	*	*			trans	-66.7	164.8	175.4	0	0	0	0	0	116
241	A	30.6	Very low	31.1	Very low	96 Å²	96	139.7 Å²	139.7	79%	0.793	80%	0.798	S	S	*	*				172.7	131.8	111.9	0	0	0	0	0	115.7
242	A	29.1	Very low	30.5	Very low	94 Å²	94	140.2 Å²	140.2	78%	0.777	79%	0.793	S	S	*	*			trans	32.3	128.2	142.1	0	0	0	0	0	123.2
243	M	29.6	Very low	30.7	Very low	193 Å²	193	144.8 Å²	144.8	95%	0.951	80%	0.8	S	S	*	*				-162.8	158.8	117.8	-138.1	66.3	-177.2	0	0	113.8
244	G	26.5	Very low	30.7	Very low	62 Å²	62	139 Å²	139	64%	0.639	79%	0.792	S	S	*	*			trans	-179.5	-169.2	166.5	0	0	0	0	0	108.6
245	P	52.7	Low	30.7	Very low	127 Å²	127	138.9 Å²	138.9	83%	0.825	79%	0.79	S	S	*	*			cis	-128	172.7	-23.4	41	-27.6	0	0	0	112.7
246	T	28.4	Very low	30.8	Very low	149 Å²	149	137.4 Å²	137.4	91%	0.914	79%	0.787	S	S	*	*			trans	-144.5	150.1	162.9	35.6	0	0	0	0	112.7
247	K	32.1	Very low	31.3	Very low	197 Å²	197	140.3 Å²	140.3	86%	0.857	79%	0.789	S	S	*	*			trans	-110.5	161.6	-175.8	-54.4	175.5	-179.9	-179.4	0	111.7
248	F	26.6	Very low	31.4	Very low	208 Å²	208	143.2 Å²	143.2	91%	0.912	80%	0.8	S	S	*	*			trans	-142.9	165.1	146	-109.9	-79.4	0	0	0	112.2
249	T	30.2	Very low	31.8	Very low	111 Å²	111	142.3 Å²	142.3	68%	0.681	80%	0.802	S	S	*	*			trans	-88.9	133.5	-164.6	43.8	0	0	0	0	113.3
250	Q	30.1	Very low	32.1	Very low	158 Å²	158	143.1 Å²	143.1	74%	0.738	81%	0.81	S	S	*	*				65.7	111.8	77.1	-170.4	-166.8	13.6	0	0	115.3
251	T	29.2	Very low	32.5	Very low	142 Å²	142	146 Å²	146	87%	0.871	81%	0.812	S	S	*	*			trans	-146.7	137.1	147.1	35.5	0	0	0	0	109.5
252	N	29.9	Very low	32.9	Very low	145 Å²	145	150.4 Å²	150.4	78%	0.775	82%	0.816	S	S	*	*			trans	-85.5	143.8	170.7	-82.2	-42.5	0	0	0	110.8
253	I	32.7	Very low	33.4	Very low	166 Å²	166	149.8 Å²	149.8	85%	0.851	81%	0.811	S	S	*	*			trans	-146.7	134.7	132.9	-90.5	141.5	0	0	0	105.3
254	G	29.5	Very low	33.9	Very low	72 Å²	72	144.9 Å²	144.9	74%	0.742	79%	0.794	S	S	*	*			trans	-124.1	137.4	169.7	0	0	0	0	0	109.3
255	I	30.1	Very low	34.7	Very low	164 Å²	164	149.1 Å²	149.1	84%	0.841	80%	0.802	S	S	*	*			trans	-139.8	155.7	164.8	-97.2	162.2	0	0	0	106.9
256	I	32	Very low	34.1	Very low	144 Å²	144	147 Å²	147	74%	0.738	79%	0.786	S	S	*	*			trans	-90.2	149.7	-161.2	-71.4	161.2	0	0	0	111.8
257	E	38.5	Very low	34.6	Very low	167 Å²	167	143.1 Å²	143.1	78%	0.78	76%	0.759	S	S	*	*			trans	7.8	133.9	158.7	-57.8	164.3	141.5	0	0	119.2
258	N	31.6	Very low	34.9	Very low	162 Å²	162	137.1 Å²	137.1	87%	0.866	74%	0.741	S	S	*	*				-150.9	135	107.4	-106.2	-26.5	0	0	0	111.2
259	K	40.7	Very low	35.4	Very low	187 Å²	187	130.5 Å²	130.5	81%	0.813	72%	0.715	S	S	*	*			trans	-84.5	110.7	166.6	-74.5	-171.6	176.6	-172.7	0	108.5
260	L	34.6	Very low	35.8	Very low	168 Å²	168	131.9 Å²	131.9	88%	0.88	71%	0.708	S	S	*	*			trans	-89	113.2	149.5	-83.2	158.8	0	0	0	106.4	E262	L260-E262 PolarHBondContact O-N 2.99Å
261	L	38.5	Very low	36	Very low	155 Å²	155	126.1 Å²	126.1	81%	0.812	68%	0.682	S	S	*	*			trans	-82.6	92.8	167.9	-73.5	167.8	0	0	0	106.5	A263	L261-A263 PolarHBondContact O-N 2.76Å
262	E	37.9	Very low	36.2	Very low	187 Å²	187	124.1 Å²	124.1	87%	0.874	67%	0.674	S	S	*	*			trans	-69.1	111.9	168.5	-163.9	156.5	-137.3	0	0	107	L260	L260-E262 PolarHBondContact O-N 2.99Å
263	A	40.7	Very low	36.4	Very low	81 Å²	81	121.6 Å²	121.6	67%	0.669	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-76.9	138.4	-179.3	0	0	0	0	0	109.4	L261	L261-A263 PolarHBondContact O-N 2.76Å
264	P	39.3	Very low	36.5	Very low	90 Å²	90	121.4 Å²	121.4	58%	0.584	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-67.1	141.5	171.3	29.9	-34	0	0	0	110	V266	P264-V266 PolarHBondContact O-N 2.8Å
265	D	43.2	Very low	36.6	Very low	152 Å²	152	126 Å²	126	81%	0.813	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-64.2	121.7	177.8	-74.7	-49.9	0	0	0	111
266	V	41.2	Very low	36.3	Very low	81 Å²	81	124.9 Å²	124.9	49%	0.491	67%	0.667	S	S	.	*	B	Isolated β-bridge	trans	-90.8	132.8	174.9	-178.7	0	0	0	0	109.1	P264 C268 L471	P264-V266 PolarHBondContact O-N 2.8Å; V266-C268 PolarHBondContact O-N 3.29Å; V266-L471 HydrophobicContact CB-CD2 4.27Å; V266-L471 HydrophobicContact CG1-CD2 4.21Å; V266-L471 HydrophobicContact CG2-CD2 4.07Å
267	L	38.8	Very low	36.1	Very low	68 Å²	68	127.4 Å²	127.4	36%	0.356	68%	0.675	S	S	.	*			trans	-70.5	78.9	175.1	-74.2	178.8	0	0	0	111.3	L269 L472	L267-L269 PolarHBondContact O-N 3.47Å; L267-L472 HydrophobicContact CD1-CD1 4.11Å; L267-L472 HydrophobicContact CD1-CG 4.08Å; L267-L472 HydrophobicContact CD2-CD1 4.38Å
268	C	37.1	Very low	35.5	Very low	71 Å²	71	124.3 Å²	124.3	48%	0.48	68%	0.678	S	S	.	*			trans	-80.1	76.4	-174.7	-163.5	0	0	0	0	112.1	V266 R270	V266-C268 PolarHBondContact O-N 3.29Å; C268-R270 PolarHBondContact O-N 3.41Å; C268-R270 PolarHBondContact SG-NE 2.86Å
269	L	37.1	Very low	35.2	Very low	70 Å²	70	125.4 Å²	125.4	37%	0.366	68%	0.678	S	S	.	*			trans	-74.6	102.2	168.3	-62.6	-178.9	0	0	0	109.3	L267 P467 E528	L267-L269 PolarHBondContact O-N 3.47Å; L269-P467 HydrophobicContact CD1-CB 3.93Å; L269-P467 HydrophobicContact CD1-CG 4.15Å; L269-P467 HydrophobicContact CG-CB 4.42Å; L269-E528 HydrophobicContact CD1-CG 4.14Å; L269-E528 WeakPolarHBondContact CD1-OE1 3.39Å
270	R	39.3	Very low	34.5	Very low	140 Å²	140	125 Å²	125	53%	0.528	68%	0.679	S	S	.	*			trans	-90.8	127.4	-171.6	-63.4	-164.8	-169.4	162.2	16.7	113.3	C268 D425	C268-R270 PolarHBondContact O-N 3.41Å; C268-R270 PolarHBondContact SG-NE 2.86Å; R270-D425 IonicContact CZ-OD1 3.54Å; R270-D425 IonicContact CZ-OD2 3.97Å; R270-D425 VanDerWaalsContact NH1-CB 3.31Å; R270-D425 IonicContact NH1-OD2 2.64Å; R270-D425 PolarHBondContact NH1-OD2 3.07Å; R270-D425 IonicContact NH2-OD1 3.62Å; R270-D425 PolarHBondContact NH2-OD1 3.4Å; R270-D425 IonicContact NH2-OD2 3.33Å; R270-D425 PolarHBondContact NH2-OD2 3.5Å
271	L	34.6	Very low	34.2	Very low	37 Å²	37	125.6 Å²	125.6	19%	0.194	68%	0.677	C	S	.	*			trans	-68.2	169.2	153.3	-79.2	-170.5	0	0	0	111.4	R500 T534	L271-R500 HydrophobicContact CD1-CG 3.66Å; L271-R500 VanDerWaalsContact CD1-CZ 3.49Å; L271-R500 HydrophobicContact CD2-CG 4.48Å; L271-R500 HydrophobicContact CG-CG 4.05Å; L271-T534 HydrophobicContact CD2-CG2 4.13Å
272	S	33	Very low	33.6	Very low	100 Å²	100	128.1 Å²	128.1	70%	0.699	68%	0.681	S	S	*	*			trans	-140	92.7	156.3	-68.4	0	0	0	0	108.9
273	T	34.5	Very low	32.9	Very low	91 Å²	91	122.9 Å²	122.9	56%	0.558	68%	0.678	S	S	*	*			trans	-119.8	98.1	175.2	22.6	0	0	0	0	110.7	E499	T273-E499 PolarHBondContact OG1-OE1 2.79Å
274	E	35	Very low	32.3	Very low	163 Å²	163	126.6 Å²	126.6	76%	0.762	69%	0.685	S	S	*	*			trans	-142.2	135.8	156	-93.8	-136.5	166.4	0	0	112.1
275	Q	30	Very low	31.7	Very low	167 Å²	167	131.7 Å²	131.7	78%	0.78	70%	0.701	S	S	*	*			trans	58.6	97.5	153.7	-57.8	-173.3	44.2	0	0	119.5
276	C	24.8	Very low	30.9	Very low	141 Å²	141	132.9 Å²	132.9	95%	0.953	70%	0.701	S	S	*	*			trans	-133.6	78.7	155.1	-118.6	0	0	0	0	110.6
277	Q	28.3	Very low	30.3	Very low	198 Å²	198	137 Å²	137	93%	0.925	72%	0.72	S	S	*	*			trans	-148.9	80.2	173.4	-159.2	179.3	87.1	0	0	114.3
278	A	24.7	Very low	29.7	Very low	102 Å²	102	138.5 Å²	138.5	84%	0.843	74%	0.736	S	S	*	*			trans	-162	146.2	146.7	0	0	0	0	0	109.5
279	H	26.1	Very low	29.1	Very low	185 Å²	185	142.2 Å²	142.2	86%	0.856	75%	0.751	S	S	*	*			trans	-106.5	-174.3	177.9	-134.4	-105	0	0	0	110.3
280	E	25.9	Very low	29.3	Very low	178 Å²	178	144.1 Å²	144.1	83%	0.832	77%	0.768	S	S	*	*			trans	83.2	133	179.8	-55.7	176.2	177.3	0	0	114
281	E	27.4	Very low	28.8	Very low	180 Å²	180	142.8 Å²	142.8	84%	0.841	78%	0.779	S	S	*	*			cis	-147.8	150.4	2.3	-127.4	-175.7	168.3	0	0	109.9
282	K	26	Very low	28.4	Very low	208 Å²	208	144.4 Å²	144.4	90%	0.904	81%	0.805	S	S	*	*			trans	-156.6	96.1	161.1	-123.3	170.8	-171.8	173.4	0	112.4
283	G	25	Very low	28.7	Very low	77 Å²	77	145.5 Å²	145.5	79%	0.794	81%	0.81	S	S	*	*			trans	-71	161.8	169.9	0	0	0	0	0	112.7
284	I	27.9	Very low	28.4	Very low	160 Å²	160	151.1 Å²	151.1	82%	0.821	83%	0.827	S	S	*	*			trans	-104.5	125.6	175.5	-60.9	170.7	0	0	0	108.5
285	E	26.6	Very low	28	Very low	196 Å²	196	147.8 Å²	147.8	92%	0.916	82%	0.821	S	S	*	*			trans	-133.5	127.6	156.1	-72.9	-164.7	137.8	0	0	109.3
286	E	25.8	Very low	27.8	Very low	178 Å²	178	150.6 Å²	150.6	83%	0.832	83%	0.826	S	S	*	*			trans	-86.6	158.1	163.7	-60.9	-179.4	110.6	0	0	109.7
287	L	28.1	Very low	27.7	Very low	167 Å²	167	148.4 Å²	148.4	87%	0.874	81%	0.813	S	S	*	*			trans	-171.7	133.4	142.4	-104.5	157.9	0	0	0	113.6
288	S	25.8	Very low	27.6	Very low	99 Å²	99	147.1 Å²	147.1	69%	0.692	81%	0.811	S	S	*	*			trans	69.3	93.9	150.4	-56.2	0	0	0	0	121.5
289	D	25.4	Very low	27.7	Very low	150 Å²	150	147.7 Å²	147.7	80%	0.802	80%	0.804	S	S	*	*				6.6	148.6	112.6	-130.7	23.4	0	0	0	118.3
290	P	40.4	Very low	27.7	Very low	110 Å²	110	146 Å²	146	71%	0.714	80%	0.796	S	S	*	*				-154.5	168.2	70	41.8	-22.2	0	0	0	120
291	S	28.6	Very low	27.7	Very low	111 Å²	111	145.5 Å²	145.5	78%	0.776	79%	0.791	S	S	*	*			trans	90.9	123.8	146.1	76.6	0	0	0	0	121
292	G	26.7	Very low	27.7	Very low	71 Å²	71	145.5 Å²	145.5	73%	0.732	79%	0.791	S	S	*	*			trans	-107.4	-138	161.2	0	0	0	0	0	111
293	P	40.9	Very low	27.7	Very low	123 Å²	123	146.2 Å²	146.2	80%	0.799	79%	0.789	S	S	*	*			cis	-131.1	-178.7	-11.7	42.4	-28.2	0	0	0	112.8
294	K	26.7	Very low	27.8	Very low	210 Å²	210	146.4 Å²	146.4	91%	0.913	78%	0.784	S	S	*	*			trans	-164.8	136.8	141.1	-109.5	150.2	-169.3	169.7	0	113.1
295	S	26.4	Very low	27.8	Very low	93 Å²	93	146.2 Å²	146.2	65%	0.65	78%	0.779	S	S	*	*			trans	-94.1	161.2	170.3	51.2	0	0	0	0	111
296	Y	26	Very low	27.8	Very low	225 Å²	225	145 Å²	145	88%	0.882	77%	0.774	S	S	*	*				-166.1	150.1	111.9	-106.2	-72.4	0	0	0	110.6
297	S	22.5	Very low	27.8	Very low	96 Å²	96	143.7 Å²	143.7	67%	0.671	77%	0.773	S	S	*	*			trans	-106.3	162.4	178.4	54.2	0	0	0	0	111.7
298	I	27.7	Very low	28.7	Very low	171 Å²	171	139.9 Å²	139.9	88%	0.877	76%	0.758	S	S	*	*			trans	-155.1	152.9	148.5	-101.8	149	0	0	0	107.6
299	T	26.5	Very low	28.6	Very low	114 Å²	114	146.3 Å²	146.3	70%	0.699	77%	0.767	S	S	*	*			trans	-127.1	177.7	-164.1	48.5	0	0	0	0	112.6
300	E	26.1	Very low	28.7	Very low	150 Å²	150	146.1 Å²	146.1	70%	0.701	76%	0.763	S	S	*	*			trans	83.9	144.9	166.3	-50.1	-157.2	139.4	0	0	116.2
301	K	25.6	Very low	28	Very low	166 Å²	166	147.7 Å²	147.7	72%	0.722	76%	0.764	S	S	*	*			cis	-156.4	160.3	-1.2	-123.9	161.3	-167.9	149.9	0	111.6
302	H	26.7	Very low	27.9	Very low	181 Å²	181	150.1 Å²	150.1	84%	0.838	76%	0.761	S	S	*	*			trans	-92.3	158.2	171.7	-76.1	-112.1	0	0	0	113.1
303	Y	25.3	Very low	27.8	Very low	222 Å²	222	152.9 Å²	152.9	87%	0.871	76%	0.764	S	S	*	*			trans	-169.6	117.8	134	-106.2	-82.3	0	0	0	106.6
304	A	28.3	Very low	27.2	Very low	82 Å²	82	151.6 Å²	151.6	68%	0.678	76%	0.763	S	S	*	*				53	148.9	95.9	0	0	0	0	0	115
305	Q	27.6	Very low	27.2	Very low	156 Å²	156	145.7 Å²	145.7	73%	0.729	75%	0.754	S	S	*	*			cis	-163.6	144	19.8	-155.3	-179.9	-85.1	0	0	106.7
306	E	26	Very low	27.3	Very low	170 Å²	170	147.7 Å²	147.7	79%	0.794	76%	0.762	S	S	*	*				170.6	169.8	87.8	-88	-173.5	168.8	0	0	111.2
307	D	25.9	Very low	27.5	Very low	151 Å²	151	144 Å²	144	81%	0.807	76%	0.757	S	S	*	*			trans	-163.1	-178.6	-170.5	-167.3	36	0	0	0	108.2
308	P	46.9	Very low	27.8	Very low	87 Å²	87	147.8 Å²	147.8	57%	0.565	76%	0.764	S	S	*	*			cis	-125.8	-178.4	-27.5	16.3	8.6	0	0	0	114.6
309	R	23.7	Very low	27.9	Very low	233 Å²	233	143.9 Å²	143.9	88%	0.879	75%	0.752	S	S	*	*			trans	149	134.3	133.1	-79.7	162	-169.2	-153.7	3.4	110.8
310	M	28.5	Very low	28.1	Very low	147 Å²	147	144.2 Å²	144.2	72%	0.724	76%	0.759	S	S	*	*			cis	117.7	131.5	16.4	-178.4	-174.3	-166.6	0	0	110.5	F312	M310-F312 HydrophobicContact CE-CE2 4.17Å; M310-F312 HydrophobicContact CE-CZ 4.5Å
311	L	26.6	Very low	28.3	Very low	142 Å²	142	142.9 Å²	142.9	74%	0.743	77%	0.766	S	S	*	*			trans	157.9	131.4	134	-78.8	171.9	0	0	0	113.5
312	F	25.4	Very low	28.5	Very low	162 Å²	162	138.7 Å²	138.7	71%	0.711	77%	0.77	S	S	*	*			trans	4.7	132.8	158.1	-58.5	-78.8	0	0	0	121.4	M310	M310-F312 HydrophobicContact CE-CE2 4.17Å; M310-F312 HydrophobicContact CE-CZ 4.5Å
313	V	25.5	Very low	28.6	Very low	130 Å²	130	137.2 Å²	137.2	79%	0.788	77%	0.768	S	S	*	*				89.6	135.5	56.8	165.4	0	0	0	0	114.9
314	A	26.8	Very low	28.7	Very low	95 Å²	95	135.5 Å²	135.5	79%	0.785	77%	0.771	S	S	*	*			trans	76.2	158.6	167.7	0	0	0	0	0	119.4
315	A	26.9	Very low	28.8	Very low	87 Å²	87	136.2 Å²	136.2	72%	0.719	77%	0.771	S	S	*	*			cis	-175.4	167.7	-32.5	0	0	0	0	0	111.2
316	V	28.9	Very low	28.8	Very low	135 Å²	135	137.1 Å²	137.1	82%	0.818	78%	0.78	S	S	*	*			trans	76.8	134.8	161.4	-167.7	0	0	0	0	119.1
317	D	30	Very low	28.9	Very low	146 Å²	146	136.6 Å²	136.6	78%	0.781	78%	0.781	S	S	*	*			trans	-82	163.1	174.5	-57.8	-83.3	0	0	0	114.8
318	H	29.1	Very low	29.4	Very low	176 Å²	176	134.8 Å²	134.8	82%	0.815	78%	0.778	S	S	*	*			trans	-162.2	102.6	148.2	-98.8	-59.3	0	0	0	115.2
319	S	30.6	Very low	28.5	Very low	90 Å²	90	135.3 Å²	135.3	63%	0.629	78%	0.784	S	S	*	*			trans	38.9	139	132.4	60.5	0	0	0	0	124.5
320	S	30.4	Very low	28.7	Very low	120 Å²	120	129.8 Å²	129.8	84%	0.839	78%	0.781	S	S	*	*			trans	78.2	157.2	147.5	90.1	0	0	0	0	117.5
321	S	30.1	Very low	28.8	Very low	122 Å²	122	129.9 Å²	129.9	85%	0.853	78%	0.784	S	S	*	*			cis	-158	154.4	-11.1	-174.7	0	0	0	0	108.8
322	G	28.9	Very low	29.6	Very low	78 Å²	78	128.8 Å²	128.8	80%	0.804	79%	0.786	S	S	*	*			trans	176.1	93.3	173.9	0	0	0	0	0	114.8
323	D	28.8	Very low	29.7	Very low	150 Å²	150	129.9 Å²	129.9	80%	0.802	79%	0.79	S	S	*	*			trans	-99.7	131.9	-178.8	173.8	29.9	0	0	0	112.3
324	M	29	Very low	29.8	Very low	186 Å²	186	133.4 Å²	133.4	92%	0.916	80%	0.795	S	S	*	*			trans	-161.8	135.3	138.6	-152.9	170.7	-172.6	0	0	111.7
325	S	28.7	Very low	29.8	Very low	98 Å²	98	137.3 Å²	137.3	69%	0.685	80%	0.797	S	S	*	*			trans	-94.2	152.4	-179.7	54.3	0	0	0	0	113.8
326	L	27.8	Very low	29.7	Very low	175 Å²	175	136.5 Å²	136.5	92%	0.916	80%	0.798	S	S	*	*			trans	-164.2	135.5	140.4	-95.6	-167.4	0	0	0	111.9
327	L	29.4	Very low	29.6	Very low	158 Å²	158	138.4 Å²	138.4	83%	0.827	80%	0.802	S	S	*	*			trans	-98.4	164.3	164.5	-89.6	172.9	0	0	0	108.5
328	P	36.2	Very low	29.3	Very low	113 Å²	113	134.6 Å²	134.6	73%	0.734	80%	0.797	S	S	*	*			cis	-154	176.7	48.3	43.7	-21.9	0	0	0	120.1
329	S	27.5	Very low	29.1	Very low	98 Å²	98	132.8 Å²	132.8	69%	0.685	80%	0.798	S	S	*	*			trans	-8	142.5	158	61.2	0	0	0	0	121.4
330	S	28.4	Very low	28.9	Very low	118 Å²	118	134.6 Å²	134.6	83%	0.825	81%	0.805	S	S	*	*				167.8	144.9	94.9	49.4	0	0	0	0	114.7
331	D	29.5	Very low	28.6	Very low	149 Å²	149	137.4 Å²	137.4	80%	0.797	81%	0.805	S	S	*	*			trans	-63.2	155.3	160.3	-117.9	-48.7	0	0	0	110.7
332	P	43.3	Very low	28.4	Very low	118 Å²	118	137.1 Å²	137.1	77%	0.766	80%	0.803	S	S	*	*				-154.4	175.3	68.4	41.5	-21	0	0	0	118.8
333	K	29.1	Very low	28.1	Very low	185 Å²	185	137.1 Å²	137.1	80%	0.804	80%	0.795	S	S	*	*			trans	-39.7	145.2	166.7	-52.3	168.6	-178.3	175.5	0	115.5
334	F	26.3	Very low	28	Very low	205 Å²	205	136.6 Å²	136.6	90%	0.899	80%	0.797	S	S	*	*				-164.4	178	119.3	-120.3	-84	0	0	0	113.7
335	Q	26.2	Very low	27.9	Very low	176 Å²	176	133.4 Å²	133.4	82%	0.822	79%	0.789	S	S	*	*			trans	-109.8	148.1	-152.8	179.2	-178.6	6.4	0	0	114.3
336	G	25.6	Very low	27.8	Very low	71 Å²	71	132.3 Å²	132.3	73%	0.732	79%	0.786	S	S	*	*			trans	154.8	123.8	169.2	0	0	0	0	0	111.4
337	L	26.4	Very low	27.8	Very low	175 Å²	175	130.5 Å²	130.5	92%	0.916	78%	0.777	S	S	*	*			cis	102.3	112.8	26.1	-163.4	152.1	0	0	0	113
338	G	24.4	Very low	27.8	Very low	65 Å²	65	129.5 Å²	129.5	67%	0.67	77%	0.773	S	S	*	*			trans	133.3	112	-173	0	0	0	0	0	109.4
339	V	25.3	Very low	27.6	Very low	138 Å²	138	129 Å²	129	84%	0.836	77%	0.767	S	S	*	*			cis	85.4	144.4	34.2	-172.6	0	0	0	0	113.1
340	V	26.2	Very low	27.6	Very low	129 Å²	129	132.4 Å²	132.4	78%	0.782	77%	0.772	S	S	*	*			trans	81.2	124.6	-169.8	-170.7	0	0	0	0	112.9
341	E	23.8	Very low	27.6	Very low	178 Å²	178	135.6 Å²	135.6	83%	0.832	77%	0.774	S	S	*	*			cis	138.1	153.1	-10.7	177.3	174.5	-137.5	0	0	109.4
342	S	24.7	Very low	27.5	Very low	116 Å²	116	133.2 Å²	133.2	81%	0.811	77%	0.77	S	S	*	*			trans	83.8	147	165.5	-156.3	0	0	0	0	118.3
343	A	23.9	Very low	26.8	Very low	78 Å²	78	135.8 Å²	135.8	65%	0.645	78%	0.776	S	S	*	*			cis	178.4	151.5	-47.5	0	0	0	0	0	110.7
344	V	25.4	Very low	26.7	Very low	139 Å²	139	137.1 Å²	137.1	84%	0.842	78%	0.782	S	S	*	*			trans	67	145.8	157.3	168.2	0	0	0	0	115.7
345	T	27.9	Very low	26.7	Very low	119 Å²	119	137.5 Å²	137.5	73%	0.73	78%	0.777	S	S	*	*			cis	-116.4	157.2	11.1	52.4	0	0	0	0	112.1
346	A	27.1	Very low	26.8	Very low	76 Å²	76	135.6 Å²	135.6	63%	0.628	77%	0.771	S	S	*	*				56.9	130.8	63.3	0	0	0	0	0	113.8
347	N	28.1	Very low	26.7	Very low	136 Å²	136	138.3 Å²	138.3	73%	0.727	78%	0.778	S	S	*	*			cis	-156.7	151.7	11.7	-86.8	-26.3	0	0	0	113.3
348	N	29.4	Very low	26.8	Very low	138 Å²	138	135.2 Å²	135.2	74%	0.738	77%	0.771	S	S	*	*			trans	59.9	150.7	139.6	-59.5	6.5	0	0	0	121.2
349	T	30.1	Very low	27.1	Very low	102 Å²	102	138 Å²	138	63%	0.626	78%	0.777	S	S	*	*			cis	-159.2	154	0.2	2.9	0	0	0	0	110.7
350	E	28.6	Very low	27.3	Very low	169 Å²	169	139.8 Å²	139.8	79%	0.79	78%	0.781	S	S	*	*			trans	61.9	143.1	154.7	-72.6	146.9	-144	0	0	118.7
351	E	28.1	Very low	27.4	Very low	185 Å²	185	139.5 Å²	139.5	86%	0.864	79%	0.785	S	S	*	*			cis	-154.1	-175.2	-1.4	-141.9	-178.4	-169.1	0	0	111.2
352	S	27.5	Very low	27.5	Very low	100 Å²	100	134.4 Å²	134.4	70%	0.699	78%	0.78	S	S	*	*			trans	85.3	82.9	168.9	-151.7	0	0	0	0	120
353	L	29.1	Very low	27.7	Very low	172 Å²	172	133.5 Å²	133.5	90%	0.901	78%	0.779	S	S	*	*			trans	46.1	112.8	135.3	-58.5	176.2	0	0	0	120.9
354	F	25.6	Very low	27.7	Very low	212 Å²	212	138 Å²	138	93%	0.93	79%	0.793	S	S	*	*			trans	-94.3	157.5	175.9	-97.1	-101.5	0	0	0	115
355	R	26.7	Very low	27.9	Very low	213 Å²	213	139.8 Å²	139.8	80%	0.804	79%	0.792	S	S	*	*			trans	-73.5	153.4	159.3	-98.7	-159.5	-169.6	-157.1	8.4	111.7
356	I	29.7	Very low	27.8	Very low	136 Å²	136	145.3 Å²	145.3	70%	0.697	80%	0.801	S	S	*	*			trans	64.3	129.4	152.5	-62.5	158.4	0	0	0	117.1
357	C	23	Very low	27.9	Very low	128 Å²	128	149.6 Å²	149.6	87%	0.865	81%	0.812	S	S	*	*			trans	-154	133.6	150.4	-110.5	0	0	0	0	112.2
358	S	28.4	Very low	27.9	Very low	111 Å²	111	148 Å²	148	78%	0.776	82%	0.817	S	S	*	*			trans	-91	148.6	162.4	-45.5	0	0	0	0	109.5
359	P	31.3	Very low	27.8	Very low	122 Å²	122	147 Å²	147	79%	0.792	82%	0.821	S	S	*	*			trans	-100.4	141.5	169.1	35.5	-29.7	0	0	0	112.3
360	L	28.7	Very low	27.7	Very low	176 Å²	176	148.6 Å²	148.6	92%	0.921	83%	0.831	S	S	*	*			trans	-154.2	163.7	167.7	-106.5	178.6	0	0	0	111.4
361	S	28.4	Very low	27.6	Very low	124 Å²	124	147.6 Å²	147.6	87%	0.867	83%	0.831	S	S	*	*			trans	75.2	131.7	-172.6	-161.1	0	0	0	0	114.2
362	G	26.2	Very low	27.8	Very low	71 Å²	71	144.4 Å²	144.4	73%	0.732	82%	0.824	S	S	*	*			cis	172.7	-177.7	-0.6	0	0	0	0	0	108.9
363	A	28	Very low	28	Very low	96 Å²	96	148.1 Å²	148.1	79%	0.793	84%	0.836	S	S	*	*			cis	-165.7	142	-17.3	0	0	0	0	0	107.8
364	N	25.6	Very low	28.1	Very low	172 Å²	172	149.3 Å²	149.3	92%	0.92	83%	0.834	S	S	*	*			trans	-166.7	139.6	157.2	-123.6	-4.1	0	0	0	110.5
365	E	29.5	Very low	28.3	Very low	177 Å²	177	145.3 Å²	145.3	83%	0.827	83%	0.827	S	S	*	*			trans	-86.3	151.2	177.2	-58.5	173.9	119.9	0	0	111.3
366	Y	25.6	Very low	28.4	Very low	235 Å²	235	144.2 Å²	144.2	92%	0.922	83%	0.83	S	S	*	*				-168.3	155.8	122.4	-116.3	-82.8	0	0	0	111
367	I	29.4	Very low	28.4	Very low	166 Å²	166	145.5 Å²	145.5	85%	0.851	83%	0.834	S	S	*	*			trans	-101.6	129	-169.9	-59.8	164.2	0	0	0	111.7
368	A	27.4	Very low	28.7	Very low	103 Å²	103	145.2 Å²	145.2	85%	0.851	83%	0.827	S	S	*	*			trans	-168.3	151	147.2	0	0	0	0	0	110.7
369	S	26.6	Very low	28.7	Very low	116 Å²	116	147.4 Å²	147.4	81%	0.811	83%	0.83	S	S	*	*			trans	-122	124.8	-173.8	56.4	0	0	0	0	113.5
370	T	28.9	Very low	28.6	Very low	136 Å²	136	147.6 Å²	147.6	83%	0.834	82%	0.824	S	S	*	*			trans	-149.4	118.3	160.2	48.4	0	0	0	0	106.8
371	D	27.1	Very low	28.6	Very low	148 Å²	148	148.4 Å²	148.4	79%	0.791	82%	0.82	S	S	*	*				97.6	156.5	63.7	-168.5	24.1	0	0	0	111.4
372	T	31	Very low	28.7	Very low	118 Å²	118	149.1 Å²	149.1	72%	0.724	82%	0.819	S	S	*	*			trans	64.5	101.5	-173.1	58.6	0	0	0	0	117.2
373	L	32.3	Very low	29.1	Very low	179 Å²	179	153.4 Å²	153.4	94%	0.937	83%	0.826	S	S	*	*			trans	-72	147.8	157.5	-69.9	168.1	0	0	0	110.2
374	K	30	Very low	29.1	Very low	197 Å²	197	158 Å²	158	86%	0.857	83%	0.83	S	S	*	*			trans	-130.6	147.8	164.3	-79.7	-168.8	173.8	-172.4	0	110.4
375	T	29.9	Very low	29.4	Very low	128 Å²	128	154.8 Å²	154.8	79%	0.785	82%	0.817	S	S	*	*			trans	-70.6	140.3	173.3	42.9	0	0	0	0	111.1
376	E	28.9	Very low	29.5	Very low	189 Å²	189	153.4 Å²	153.4	88%	0.883	82%	0.815	S	S	*	*			trans	-94.9	114.6	162.9	-70.1	-167.7	138.3	0	0	109.2
377	E	29.5	Very low	29.7	Very low	164 Å²	164	148.8 Å²	148.8	77%	0.766	81%	0.807	S	S	*	*			trans	-96.3	118.6	164.1	-66.6	175.4	141.8	0	0	107.6	L379	E377-L379 PolarHBondContact O-N 2.95Å
378	V	29.8	Very low	29.8	Very low	121 Å²	121	147.7 Å²	147.7	73%	0.733	80%	0.802	S	S	*	*			trans	-88.9	82	178.3	-177	0	0	0	0	109.4	L380	V378-L380 HydrophobicContact CG1-CD1 4.38Å; V378-L380 HydrophobicContact CG1-CG 4.19Å
379	L	29.3	Very low	29.9	Very low	158 Å²	158	146.9 Å²	146.9	83%	0.827	80%	0.795	S	S	*	*			trans	-79.9	125.7	167.8	-68.1	172.5	0	0	0	109.6	E377	E377-L379 PolarHBondContact O-N 2.95Å
380	L	29.6	Very low	30.1	Very low	126 Å²	126	150.6 Å²	150.6	66%	0.66	80%	0.797	S	S	*	*			trans	-114.4	122.4	178.2	-80.4	171.6	0	0	0	111.9	V378	V378-L380 HydrophobicContact CG1-CD1 4.38Å; V378-L380 HydrophobicContact CG1-CG 4.19Å
381	F	28.7	Very low	30.1	Very low	192 Å²	192	153.2 Å²	153.2	84%	0.842	80%	0.8	S	S	*	*			trans	71.1	97.6	166.3	-50.2	-61.3	0	0	0	118.6
382	T	29.8	Very low	30.2	Very low	140 Å²	140	155.2 Å²	155.2	86%	0.859	80%	0.804	S	S	*	*			trans	-100.8	140.5	151.4	51.2	0	0	0	0	110.1
383	D	33.8	Very low	30.3	Very low	161 Å²	161	155.6 Å²	155.6	86%	0.861	81%	0.808	S	S	*	*			trans	-63.5	147.1	172.3	-69.8	-54	0	0	0	113.6
384	Q	28.8	Very low	30.1	Very low	192 Å²	192	154 Å²	154	90%	0.897	81%	0.806	S	S	*	*			trans	-152.2	157.3	151.7	-161.1	140.9	84.5	0	0	111.7
385	T	30.9	Very low	30	Very low	105 Å²	105	150.1 Å²	150.1	64%	0.644	80%	0.804	S	S	*	*			trans	-107.2	175.4	-161.1	52.2	0	0	0	0	114.4
386	D	31.6	Very low	30	Very low	147 Å²	147	151.6 Å²	151.6	79%	0.786	81%	0.806	S	S	*	*			trans	75.2	139.8	157.4	-52.3	-47	0	0	0	117.5
387	D	29.4	Very low	30	Very low	138 Å²	138	153 Å²	153	74%	0.738	81%	0.81	S	S	*	*			cis	-164.3	174.1	-10.4	-179	23.4	0	0	0	109.4
388	L	32.3	Very low	29.9	Very low	143 Å²	143	153.1 Å²	153.1	75%	0.749	81%	0.811	S	S	*	*			trans	88.4	75.6	160	-57	-178.5	0	0	0	121.7
389	A	29.1	Very low	30.2	Very low	86 Å²	86	158.2 Å²	158.2	71%	0.711	82%	0.817	S	S	*	*				85	140.5	109.2	0	0	0	0	0	123.2
390	K	30.7	Very low	30.2	Very low	195 Å²	195	157.2 Å²	157.2	85%	0.848	81%	0.812	S	S	*	*			trans	82.1	138.2	170.9	-55.9	-177.3	-177.5	-179.4	0	115.2
391	E	30.2	Very low	30.5	Very low	191 Å²	191	156.1 Å²	156.1	89%	0.893	82%	0.815	S	S	*	*			cis	-118.1	-159.2	7.2	-70	-170.2	150.6	0	0	113.8
392	E	29.4	Very low	30.6	Very low	190 Å²	190	156.4 Å²	156.4	89%	0.888	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-82.3	158.5	-158.8	-74.9	-168.8	137.5	0	0	117.1
393	P	32.9	Very low	31.1	Very low	125 Å²	125	156 Å²	156	81%	0.812	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-95.5	149.4	-176.7	37.3	-34.9	0	0	0	114.5
394	T	27.1	Very low	31	Very low	146 Å²	146	158.6 Å²	158.6	90%	0.896	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-97.9	126.8	165.2	-23.6	0	0	0	0	110.3
395	S	28.4	Very low	31	Very low	116 Å²	116	153.1 Å²	153.1	81%	0.811	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-75.8	136.8	-171.6	55.5	0	0	0	0	114.7
396	L	29.4	Very low	31.5	Very low	159 Å²	159	157.1 Å²	157.1	83%	0.832	83%	0.827	S	S	*	*			trans	-147.4	44.4	161.8	-134.7	176.4	0	0	0	114.6
397	F	30.1	Very low	31.8	Very low	219 Å²	219	156.1 Å²	156.1	96%	0.961	83%	0.831	S	S	*	*			trans	-140	97.9	160.1	-83.8	-69.4	0	0	0	110.4
398	Q	27.2	Very low	32.4	Very low	166 Å²	166	152 Å²	152	78%	0.776	82%	0.821	S	S	*	*			trans	-113	117.6	160.8	-177.1	169	-29.6	0	0	108.5	D400	Q398-D400 PolarHBondContact NE2-OD1 3.21Å
399	R	35.8	Very low	32.8	Very low	228 Å²	228	152.8 Å²	152.8	86%	0.86	83%	0.825	S	S	*	*			trans	-96.6	102.9	176.2	174.2	-169.7	-75.2	138.1	-4.8	108.4
400	D	29.3	Very low	33.4	Very low	136 Å²	136	153.8 Å²	153.8	73%	0.727	82%	0.822	S	S	*	*			trans	-90.6	139	163.8	-69.3	-10.7	0	0	0	109	Q398	Q398-D400 PolarHBondContact NE2-OD1 3.21Å
401	S	36.1	Very low	34.2	Very low	103 Å²	103	150.3 Å²	150.3	72%	0.72	81%	0.812	S	S	*	*			trans	-137.2	115.8	-175.4	61.4	0	0	0	0	111.1
402	E	31.3	Very low	34.9	Very low	199 Å²	199	146.5 Å²	146.5	93%	0.93	79%	0.794	S	S	*	*			trans	-149.1	140.8	158.4	-125.8	169.9	-145.1	0	0	113.2
403	T	39.2	Very low	36	Very low	132 Å²	132	138.7 Å²	138.7	81%	0.81	77%	0.765	S	S	*	*			trans	-70.6	134.3	-158.4	51.3	0	0	0	0	116.4
404	K	31.3	Very low	37.2	Very low	214 Å²	214	136.1 Å²	136.1	93%	0.93	74%	0.744	S	S	*	*				-175.4	145.6	129.1	-111.4	171.5	179.9	176	0	114.3
405	G	29.9	Very low	38.6	Very low	77 Å²	77	134.5 Å²	134.5	79%	0.794	73%	0.725	S	S	*	*			trans	103.7	125.7	164.2	0	0	0	0	0	114.6
406	E	39.9	Very low	40.8	Very low	190 Å²	190	135.3 Å²	135.3	89%	0.888	72%	0.716	S	S	*	*	S	Bend	trans	-90.6	165.6	177.1	-68.1	167.8	101.9	0	0	112	G408	E406-G408 PolarHBondContact O-N 3.45Å
407	S	39.3	Very low	43	Very low	126 Å²	126	132 Å²	132	88%	0.881	70%	0.699	S	S	*	*	S	Bend	trans	75.2	10.5	159	74.7	0	0	0	0	120.8
408	G	40.6	Very low	45	Very low	51 Å²	51	128.1 Å²	128.1	53%	0.526	68%	0.683	S	S	.	*			trans	-93.9	-29.1	173.1	0	0	0	0	0	116.7	E406 V410	E406-G408 PolarHBondContact O-N 3.45Å; G408-V410 PolarHBondContact O-N 2.87Å
409	L	42.2	Very low	47.3	Very low	159 Å²	159	125 Å²	125	83%	0.832	67%	0.668	S	S	*	*	S	Bend	trans	-82.9	-0.3	-151.2	-65.3	174	0	0	0	118.1
410	V	42	Very low	49.4	Very low	108 Å²	108	118.6 Å²	118.6	66%	0.655	65%	0.65	S	S	*	*	H	α-helix	trans	-81.8	-52.2	178.1	-176.7	0	0	0	0	110.3	G408 E412 G413 D414	G408-V410 PolarHBondContact O-N 2.87Å; V410-E412 PolarHBondContact O-N 2.87Å; V410-E412 VanDerWaalsContact O-N 3.11Å; V410-G413 PolarHBondContact O-N 2.79Å; V410-D414 PolarHBondContact O-N 3.26Å
411	L	46.9	Very low	51.5	Low	121 Å²	121	118 Å²	118	63%	0.634	64%	0.641	S	S	*	*	H	α-helix	trans	-65.4	-17.7	-174.8	-64.2	173.3	0	0	0	114.5	K415	L411-K415 WeakPolarHBondContact O-CD 3.33Å; L411-K415 WeakPolarHBondContact O-CG 3.38Å; L411-K415 PolarHBondContact O-N 3.22Å
412	E	44.8	Very low	53.4	Low	111 Å²	111	116.5 Å²	116.5	52%	0.519	62%	0.623	S	S	.	*	H	α-helix	trans	-82.9	-38.2	178.9	-139.7	64.4	-162.5	0	0	111.8	V410 K415 E416	V410-E412 PolarHBondContact O-N 2.87Å; V410-E412 VanDerWaalsContact O-N 3.11Å; E412-K415 VanDerWaalsContact CD-NZ 3.32Å; E412-K415 PolarHBondContact O-N 2.84Å; E412-K415 IonicContact OE1-NZ 3.52Å; E412-K415 PolarHBondContact OE1-NZ 2.79Å; E412-K415 IonicContact OE2-NZ 2.82Å; E412-K415 PolarHBondContact OE2-NZ 3.04Å; E412-E416 WeakPolarHBondContact O-CB 3.15Å; E412-E416 PolarHBondContact O-N 3.39Å
413	G	53.1	Low	55.5	Low	27 Å²	27	110.5 Å²	110.5	28%	0.278	60%	0.597	S	S	.	*	H	α-helix	trans	-67	-38.5	171.8	0	0	0	0	0	111.8	V410 K415 E416 I417	V410-G413 PolarHBondContact O-N 2.79Å; G413-K415 PolarHBondContact O-N 2.86Å; G413-E416 PolarHBondContact O-N 3.32Å; G413-I417 WeakPolarHBondContact O-CB 3.39Å; G413-I417 WeakPolarHBondContact O-CD1 3.44Å; G413-I417 VanDerWaalsContact O-CG1 3.25Å; G413-I417 WeakPolarHBondContact O-CG1 3.32Å; G413-I417 PolarHBondContact O-N 3.42Å
414	D	56.6	Low	56.8	Low	70 Å²	70	108.5 Å²	108.5	37%	0.374	58%	0.581	S	S	.	*	H	α-helix	trans	-61.1	-45.1	175.1	-60.4	-28	0	0	0	111.2	V410 I417 H418	V410-D414 PolarHBondContact O-N 3.26Å; D414-I417 PolarHBondContact O-N 3.47Å; D414-H418 WeakPolarHBondContact O-CB 3.41Å; D414-H418 PolarHBondContact O-CD2 3.28Å; D414-H418 PolarHBondContact O-N 2.6Å
415	K	57	Low	58.5	Low	112 Å²	112	100.3 Å²	100.3	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-62.6	-43.4	173	-71	166.8	-162	166.8	0	112.6	L411 E412 G413 I417 H418 Q419	L411-K415 WeakPolarHBondContact O-CD 3.33Å; L411-K415 WeakPolarHBondContact O-CG 3.38Å; L411-K415 PolarHBondContact O-N 3.22Å; E412-K415 VanDerWaalsContact CD-NZ 3.32Å; E412-K415 PolarHBondContact O-N 2.84Å; E412-K415 IonicContact OE1-NZ 3.52Å; E412-K415 PolarHBondContact OE1-NZ 2.79Å; E412-K415 IonicContact OE2-NZ 2.82Å; E412-K415 PolarHBondContact OE2-NZ 3.04Å; G413-K415 PolarHBondContact O-N 2.86Å; K415-I417 VanDerWaalsContact C-N 3.29Å; K415-I417 PolarHBondContact O-N 2.78Å; K415-H418 PolarHBondContact O-N 3.45Å; K415-Q419 VanDerWaalsContact O-CB 3.25Å; K415-Q419 WeakPolarHBondContact O-CB 3.39Å; K415-Q419 PolarHBondContact O-N 2.94Å
416	E	74.6	Confident	60.4	Low	134 Å²	134	100.7 Å²	100.7	63%	0.626	53%	0.527	S	S	*	.	H	α-helix	trans	-62.6	-40.2	179.6	-170.6	170.6	-136.6	0	0	110.3	E412 G413 Q419 I420	E412-E416 WeakPolarHBondContact O-CB 3.15Å; E412-E416 PolarHBondContact O-N 3.39Å; G413-E416 PolarHBondContact O-N 3.32Å; E416-Q419 PolarHBondContact O-N 2.67Å; E416-I420 HydrophobicContact CG-CD1 4.06Å; E416-I420 WeakPolarHBondContact O-CB 3.39Å; E416-I420 WeakPolarHBondContact O-CD1 3.27Å; E416-I420 WeakPolarHBondContact O-CG1 3.09Å; E416-I420 PolarHBondContact O-N 3.5Å
417	I	76.4	Confident	61.3	Low	90 Å²	90	96.5 Å²	96.5	46%	0.462	51%	0.506	S	S	.	.	H	α-helix	trans	-66.2	-47.5	173.1	-70.4	165.2	0	0	0	111.6	G413 D414 K415 Q419 I420 F421	G413-I417 WeakPolarHBondContact O-CB 3.39Å; G413-I417 WeakPolarHBondContact O-CD1 3.44Å; G413-I417 VanDerWaalsContact O-CG1 3.25Å; G413-I417 WeakPolarHBondContact O-CG1 3.32Å; G413-I417 PolarHBondContact O-N 3.42Å; D414-I417 PolarHBondContact O-N 3.47Å; K415-I417 VanDerWaalsContact C-N 3.29Å; K415-I417 PolarHBondContact O-N 2.78Å; I417-Q419 VanDerWaalsContact C-N 3.3Å; I417-Q419 PolarHBondContact O-N 3.27Å; I417-I420 PolarHBondContact O-N 3.21Å; I417-F421 HydrophobicContact CG2-CD2 3.65Å; I417-F421 HydrophobicContact CG2-CE2 3.52Å; I417-F421 VanDerWaalsContact O-CD2 3.28Å; I417-F421 WeakPolarHBondContact O-CD2 3.41Å; I417-F421 PolarHBondContact O-N 3.38Å
418	H	72.1	Confident	62.3	Low	136 Å²	136	94.9 Å²	94.9	63%	0.63	49%	0.487	S	S	*	.	H	α-helix	trans	-58.9	-42.8	175	-78.3	-59.9	0	0	0	111.6	D414 K415 F421 E422	D414-H418 WeakPolarHBondContact O-CB 3.41Å; D414-H418 PolarHBondContact O-CD2 3.28Å; D414-H418 PolarHBondContact O-N 2.6Å; K415-H418 PolarHBondContact O-N 3.45Å; H418-F421 PolarHBondContact O-N 3.27Å; H418-E422 VanDerWaalsContact O-CB 3.32Å; H418-E422 WeakPolarHBondContact O-CB 3.1Å; H418-E422 PolarHBondContact O-N 3.46Å
419	Q	75.4	Confident	63.1	Low	101 Å²	101	95.8 Å²	95.8	47%	0.472	49%	0.49	S	S	.	.	H	α-helix	trans	-66.7	-39.6	177.3	-169.8	62.3	81.8	0	0	111.2	K415 E416 I417 E422 D423	K415-Q419 VanDerWaalsContact O-CB 3.25Å; K415-Q419 WeakPolarHBondContact O-CB 3.39Å; K415-Q419 PolarHBondContact O-N 2.94Å; E416-Q419 PolarHBondContact O-N 2.67Å; I417-Q419 VanDerWaalsContact C-N 3.3Å; I417-Q419 PolarHBondContact O-N 3.27Å; Q419-E422 PolarHBondContact NE2-OE2 3.46Å; Q419-E422 PolarHBondContact O-N 2.86Å; Q419-D423 VanDerWaalsContact O-CB 3.28Å; Q419-D423 WeakPolarHBondContact O-CB 3.44Å; Q419-D423 PolarHBondContact O-N 2.85Å
420	I	80.3	Confident	63.7	Low	93 Å²	93	94.2 Å²	94.2	48%	0.477	48%	0.482	S	S	.	.	H	α-helix	trans	-65	-43.3	175.5	-75.4	163.3	0	0	0	111.5	E416 I417 D423 L424	E416-I420 HydrophobicContact CG-CD1 4.06Å; E416-I420 WeakPolarHBondContact O-CB 3.39Å; E416-I420 WeakPolarHBondContact O-CD1 3.27Å; E416-I420 WeakPolarHBondContact O-CG1 3.09Å; E416-I420 PolarHBondContact O-N 3.5Å; I417-I420 PolarHBondContact O-N 3.21Å; I420-D423 PolarHBondContact O-N 3.31Å; I420-L424 HydrophobicContact CG2-CD1 3.9Å; I420-L424 HydrophobicContact CG2-CG 4.44Å; I420-L424 WeakPolarHBondContact O-CB 3.14Å; I420-L424 VanDerWaalsContact O-CG 3.24Å; I420-L424 WeakPolarHBondContact O-CG 3.28Å; I420-L424 PolarHBondContact O-N 3.08Å
421	F	73.1	Confident	64.1	Low	123 Å²	123	93.2 Å²	93.2	54%	0.539	48%	0.484	S	S	.	.	H	α-helix	trans	-61.8	-51.1	172.5	-80.7	-63.2	0	0	0	110.4	I417 H418 D423 L424 D425	I417-F421 HydrophobicContact CG2-CD2 3.65Å; I417-F421 HydrophobicContact CG2-CE2 3.52Å; I417-F421 VanDerWaalsContact O-CD2 3.28Å; I417-F421 WeakPolarHBondContact O-CD2 3.41Å; I417-F421 PolarHBondContact O-N 3.38Å; H418-F421 PolarHBondContact O-N 3.27Å; F421-D423 PolarHBondContact O-N 3.27Å; F421-L424 CarbonylContact O-C 3.49Å; F421-L424 WeakPolarHBondContact O-CA 3.46Å; F421-L424 WeakPolarHBondContact O-CB 3.48Å; F421-L424 PolarHBondContact O-N 2.95Å; F421-D425 WeakPolarHBondContact O-CB 3.25Å; F421-D425 VanDerWaalsContact O-CG 3.23Å; F421-D425 PolarHBondContact O-N 2.75Å
422	E	76.4	Confident	64.3	Low	72 Å²	72	89 Å²	89	34%	0.336	47%	0.465	S	S	.	.	H	α-helix	trans	-56.4	-38.4	177.2	-157.4	-152.8	-162.8	0	0	112.1	H418 Q419 K426	H418-E422 VanDerWaalsContact O-CB 3.32Å; H418-E422 WeakPolarHBondContact O-CB 3.1Å; H418-E422 PolarHBondContact O-N 3.46Å; Q419-E422 PolarHBondContact NE2-OE2 3.46Å; Q419-E422 PolarHBondContact O-N 2.86Å; E422-K426 HydrophobicContact CG-CD 4.18Å; E422-K426 WeakPolarHBondContact O-CB 3.44Å; E422-K426 WeakPolarHBondContact O-CD 3.21Å; E422-K426 WeakPolarHBondContact O-CG 3.2Å; E422-K426 PolarHBondContact O-N 3.06Å; E422-K426 WeakPolarHBondContact OE1-CE 3.47Å; E422-K426 IonicContact OE1-NZ 3.48Å; E422-K426 PolarHBondContact OE1-NZ 2.95Å; E422-K426 IonicContact OE2-NZ 3.1Å; E422-K426 PolarHBondContact OE2-NZ 3.26Å
423	D	73.6	Confident	64.9	Low	74 Å²	74	93.8 Å²	93.8	40%	0.396	48%	0.478	S	S	.	.	H	α-helix	trans	-74.9	-24.5	176.1	-123.6	51.4	0	0	0	113.5	Q419 I420 F421 K426 K427	Q419-D423 VanDerWaalsContact O-CB 3.28Å; Q419-D423 WeakPolarHBondContact O-CB 3.44Å; Q419-D423 PolarHBondContact O-N 2.85Å; I420-D423 PolarHBondContact O-N 3.31Å; F421-D423 PolarHBondContact O-N 3.27Å; D423-K426 CarbonylContact O-C 3.56Å; D423-K427 VanDerWaalsContact CG-NZ 3.27Å; D423-K427 WeakPolarHBondContact O-CB 3.46Å; D423-K427 WeakPolarHBondContact O-CD 3.42Å; D423-K427 WeakPolarHBondContact O-CG 3.35Å; D423-K427 PolarHBondContact O-N 2.91Å; D423-K427 PolarHBondContact O-NZ 3.35Å; D423-K427 IonicContact OD2-NZ 2.74Å; D423-K427 PolarHBondContact OD2-NZ 3.14Å
424	L	67.6	Low	65.3	Low	89 Å²	89	100.1 Å²	100.1	47%	0.466	50%	0.499	S	S	.	.	H	α-helix	trans	-79.3	-38.8	172.7	-78.2	169.3	0	0	0	110.8	I420 F421 K427 L428	I420-L424 HydrophobicContact CG2-CD1 3.9Å; I420-L424 HydrophobicContact CG2-CG 4.44Å; I420-L424 WeakPolarHBondContact O-CB 3.14Å; I420-L424 VanDerWaalsContact O-CG 3.24Å; I420-L424 WeakPolarHBondContact O-CG 3.28Å; I420-L424 PolarHBondContact O-N 3.08Å; F421-L424 CarbonylContact O-C 3.49Å; F421-L424 WeakPolarHBondContact O-CA 3.46Å; F421-L424 WeakPolarHBondContact O-CB 3.48Å; F421-L424 PolarHBondContact O-N 2.95Å; L424-K427 CarbonylContact O-C 3.58Å; L424-K427 WeakPolarHBondContact O-CA 3.43Å; L424-K427 WeakPolarHBondContact O-CB 3.47Å; L424-K427 PolarHBondContact O-N 3.39Å; L424-L428 PolarHBondContact O-N 3.19Å
425	D	67.5	Low	66	Low	42 Å²	42	104.4 Å²	104.4	23%	0.225	51%	0.511	C	S	.	.	H	α-helix	trans	-68.4	-43.3	173.2	-63.3	-54.1	0	0	0	110.4	R270 F421 K427 L428 A429	R270-D425 IonicContact CZ-OD1 3.54Å; R270-D425 IonicContact CZ-OD2 3.97Å; R270-D425 VanDerWaalsContact NH1-CB 3.31Å; R270-D425 IonicContact NH1-OD2 2.64Å; R270-D425 PolarHBondContact NH1-OD2 3.07Å; R270-D425 IonicContact NH2-OD1 3.62Å; R270-D425 PolarHBondContact NH2-OD1 3.4Å; R270-D425 IonicContact NH2-OD2 3.33Å; R270-D425 PolarHBondContact NH2-OD2 3.5Å; F421-D425 WeakPolarHBondContact O-CB 3.25Å; F421-D425 VanDerWaalsContact O-CG 3.23Å; F421-D425 PolarHBondContact O-N 2.75Å; D425-K427 PolarHBondContact O-N 3.44Å; D425-K427 VanDerWaalsContact O-N 3.09Å; D425-L428 PolarHBondContact O-N 3.26Å; D425-A429 VanDerWaalsContact O-CB 3.28Å; D425-A429 WeakPolarHBondContact O-CB 3.46Å; D425-A429 PolarHBondContact O-N 2.77Å
426	K	68.4	Low	67.3	Low	86 Å²	86	101.4 Å²	101.4	37%	0.374	50%	0.499	S	S	.	.	H	α-helix	trans	-69.6	9.7	164.7	-67.1	169.4	-180	171.8	0	113.7	E422 D423 L430	E422-K426 HydrophobicContact CG-CD 4.18Å; E422-K426 WeakPolarHBondContact O-CB 3.44Å; E422-K426 WeakPolarHBondContact O-CD 3.21Å; E422-K426 WeakPolarHBondContact O-CG 3.2Å; E422-K426 PolarHBondContact O-N 3.06Å; E422-K426 WeakPolarHBondContact OE1-CE 3.47Å; E422-K426 IonicContact OE1-NZ 3.48Å; E422-K426 PolarHBondContact OE1-NZ 2.95Å; E422-K426 IonicContact OE2-NZ 3.1Å; E422-K426 PolarHBondContact OE2-NZ 3.26Å; D423-K426 CarbonylContact O-C 3.56Å; K426-L430 WeakPolarHBondContact O-CD1 3.48Å; K426-L430 WeakPolarHBondContact O-CD2 3.38Å
427	K	60.5	Low	67.9	Low	101 Å²	101	98.5 Å²	98.5	44%	0.439	49%	0.492	S	S	.	.	H	α-helix	trans	-114.8	-38.2	163.9	-78.4	175	-161	84.4	0	111.7	D423 L424 D425 L430 A431	D423-K427 VanDerWaalsContact CG-NZ 3.27Å; D423-K427 WeakPolarHBondContact O-CB 3.46Å; D423-K427 WeakPolarHBondContact O-CD 3.42Å; D423-K427 WeakPolarHBondContact O-CG 3.35Å; D423-K427 PolarHBondContact O-N 2.91Å; D423-K427 PolarHBondContact O-NZ 3.35Å; D423-K427 IonicContact OD2-NZ 2.74Å; D423-K427 PolarHBondContact OD2-NZ 3.14Å; L424-K427 CarbonylContact O-C 3.58Å; L424-K427 WeakPolarHBondContact O-CA 3.43Å; L424-K427 WeakPolarHBondContact O-CB 3.47Å; L424-K427 PolarHBondContact O-N 3.39Å; D425-K427 PolarHBondContact O-N 3.44Å; D425-K427 VanDerWaalsContact O-N 3.09Å; K427-L430 PolarHBondContact O-N 2.81Å; K427-A431 WeakPolarHBondContact O-CB 3.38Å; K427-A431 PolarHBondContact O-N 3.41Å
428	L	58.7	Low	68.5	Low	92 Å²	92	96.4 Å²	96.4	48%	0.482	48%	0.481	S	S	.	.	H	α-helix	trans	-59.8	-46.8	168.8	-81	155.6	0	0	0	111.2	L424 D425 L430 A431 S432	L424-L428 PolarHBondContact O-N 3.19Å; D425-L428 PolarHBondContact O-N 3.26Å; L428-L430 PolarHBondContact O-N 3.15Å; L428-A431 PolarHBondContact O-N 3.33Å; L428-S432 VanDerWaalsContact O-CA 3.27Å; L428-S432 WeakPolarHBondContact O-CA 3.38Å; L428-S432 WeakPolarHBondContact O-CB 3.44Å; L428-S432 PolarHBondContact O-N 3.25Å; L428-S432 PolarHBondContact O-OG 3.32Å
429	A	58.7	Low	69.4	Low	71 Å²	71	91.3 Å²	91.3	59%	0.587	47%	0.465	S	S	*	.	H	α-helix	trans	-60.6	-19.7	-177.7	0	0	0	0	0	115.2	D425	D425-A429 VanDerWaalsContact O-CB 3.28Å; D425-A429 WeakPolarHBondContact O-CB 3.46Å; D425-A429 PolarHBondContact O-N 2.77Å
430	L	54.9	Low	70.1	Confident	126 Å²	126	88.3 Å²	88.3	66%	0.66	46%	0.455	S	S	*	.	H	α-helix	trans	-126	-8.4	178.2	45.7	-74.8	0	0	0	115.8	K426 K427 L428	K426-L430 WeakPolarHBondContact O-CD1 3.48Å; K426-L430 WeakPolarHBondContact O-CD2 3.38Å; K427-L430 PolarHBondContact O-N 2.81Å; L428-L430 PolarHBondContact O-N 3.15Å
431	A	50.3	Low	70.6	Confident	86 Å²	86	84 Å²	84	71%	0.711	43%	0.432	S	S	*	.	H	α-helix	trans	-80.1	-28.2	156.8	0	0	0	0	0	111.6	K427 L428	K427-A431 WeakPolarHBondContact O-CB 3.38Å; K427-A431 PolarHBondContact O-N 3.41Å; L428-A431 PolarHBondContact O-N 3.33Å
432	S	50.1	Low	71.6	Confident	33 Å²	33	79.8 Å²	79.8	23%	0.231	41%	0.414	C	S	.	.			trans	-125.4	71.5	-169.7	-47.2	0	0	0	0	111.6	L428 F434	L428-S432 VanDerWaalsContact O-CA 3.27Å; L428-S432 WeakPolarHBondContact O-CA 3.38Å; L428-S432 WeakPolarHBondContact O-CB 3.44Å; L428-S432 PolarHBondContact O-N 3.25Å; L428-S432 PolarHBondContact O-OG 3.32Å; S432-F434 PolarHBondContact O-N 2.92Å
433	R	58.1	Low	72.4	Confident	211 Å²	211	83 Å²	83	80%	0.796	42%	0.424	S	S	*	.			trans	-65.6	82.7	146.1	-85.1	-172	172.1	153.9	2.6	108	Y435	R433-Y435 PolarHBondContact O-N 3.49Å
434	F	62	Low	73.3	Confident	160 Å²	160	81.7 Å²	81.7	70%	0.702	41%	0.413	S	S	*	.			trans	-64.1	98.3	173.5	-75	-67.3	0	0	0	108.5	S432 I436	S432-F434 PolarHBondContact O-N 2.92Å; F434-I436 PolarHBondContact O-N 3Å
435	Y	69.9	Low	74.6	Confident	160 Å²	160	77.5 Å²	77.5	63%	0.627	39%	0.391	S	S	*	.			trans	-71.9	96.3	169.7	-179.7	-99.8	0	0	0	108.4	R433	R433-Y435 PolarHBondContact O-N 3.49Å
436	I	83.9	Confident	75.9	Confident	49 Å²	49	75.5 Å²	75.5	25%	0.251	38%	0.38	S	S	.	.			trans	-72.4	125.6	175.5	-55.8	172.3	0	0	0	107.1	F434 E438 C440 I441 W444 L529	F434-I436 PolarHBondContact O-N 3Å; I436-E438 PolarHBondContact O-N 3.27Å; I436-C440 HydrophobicContact CG2-CB 4.21Å; I436-I441 HydrophobicContact CB-CD1 4.11Å; I436-I441 HydrophobicContact CB-CG1 4.19Å; I436-I441 HydrophobicContact CG2-CD1 4.12Å; I436-I441 HydrophobicContact CG2-CG1 3.65Å; I436-W444 HydrophobicContact CD1-CZ3 4.25Å; I436-W444 HydrophobicContact CG2-CH2 4.22Å; I436-W444 HydrophobicContact CG2-CZ3 3.76Å; I436-L529 HydrophobicContact CD1-CD2 3.95Å
437	P	88.1	Confident	77.1	Confident	74 Å²	74	72.7 Å²	72.7	48%	0.481	37%	0.369	S	S	.	.			trans	-59.8	135.4	178.4	-24.5	34.5	0	0	0	111.6	G439 C440 I441	P437-G439 PolarHBondContact O-N 3.37Å; P437-G439 VanDerWaalsContact O-N 3.14Å; P437-C440 WeakPolarHBondContact O-CB 3.49Å; P437-C440 PolarHBondContact O-N 2.97Å; P437-I441 PolarHBondContact O-N 2.86Å
438	E	89.7	Confident	78.7	Confident	45 Å²	45	67.9 Å²	67.9	21%	0.21	35%	0.348	C	S	.	.	H	α-helix	trans	-54.1	-38.1	-178.6	-174.2	173	138.9	0	0	112.4	I436 C440 I441 Q442 L530 S556 F590	I436-E438 PolarHBondContact O-N 3.27Å; E438-C440 PolarHBondContact O-N 2.94Å; E438-I441 PolarHBondContact O-N 3.48Å; E438-I441 VanDerWaalsContact O-N 3.15Å; E438-Q442 VanDerWaalsContact O-CB 3.29Å; E438-Q442 WeakPolarHBondContact O-CB 3.45Å; E438-Q442 PolarHBondContact O-N 3.45Å; E438-L530 HydrophobicContact CB-CD2 4.34Å; E438-L530 HydrophobicContact CG-CD2 3.88Å; E438-S556 VanDerWaalsContact CD-OG 3.31Å; E438-S556 VanDerWaalsContact OE1-CB 3.22Å; E438-S556 WeakPolarHBondContact OE1-CB 3.29Å; E438-S556 PolarHBondContact OE1-OG 3.02Å; E438-S556 WeakPolarHBondContact OE2-CB 3.29Å; E438-S556 PolarHBondContact OE2-N 3.3Å; E438-S556 PolarHBondContact OE2-OG 3.45Å; E438-F590 HydrophobicContact CG-CE2 4.08Å
439	G	89.3	Confident	80.4	Confident	29 Å²	29	63.5 Å²	63.5	30%	0.299	33%	0.325	S	S	.	.	H	α-helix	trans	-68	-9.1	175.4	0	0	0	0	0	115.9	P437 R443	P437-G439 PolarHBondContact O-N 3.37Å; P437-G439 VanDerWaalsContact O-N 3.14Å; G439-R443 PolarHBondContact O-NH1 2.72Å; G439-R443 PolarHBondContact O-NH2 2.8Å
440	C	90.6	Very high	82.1	Confident	39 Å²	39	61.3 Å²	61.3	26%	0.264	30%	0.304	S	S	.	.	H	α-helix	trans	-87.8	-47.5	165.8	-65.9	0	0	0	0	110.3	I436 P437 E438 Q442 R443 W444	I436-C440 HydrophobicContact CG2-CB 4.21Å; P437-C440 WeakPolarHBondContact O-CB 3.49Å; P437-C440 PolarHBondContact O-N 2.97Å; E438-C440 PolarHBondContact O-N 2.94Å; C440-Q442 PolarHBondContact O-N 3.24Å; C440-R443 PolarHBondContact O-N 2.82Å; C440-W444 PolarHBondContact O-N 2.76Å; C440-W444 VanDerWaalsContact O-N 3.07Å
441	I	92.1	Very high	83.8	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-57.1	-37.6	176	-55.3	167.4	0	0	0	110.7	I436 P437 E438 R443 W444 A445 L526 L529 L530	I436-I441 HydrophobicContact CB-CD1 4.11Å; I436-I441 HydrophobicContact CB-CG1 4.19Å; I436-I441 HydrophobicContact CG2-CD1 4.12Å; I436-I441 HydrophobicContact CG2-CG1 3.65Å; P437-I441 PolarHBondContact O-N 2.86Å; E438-I441 PolarHBondContact O-N 3.48Å; E438-I441 VanDerWaalsContact O-N 3.15Å; I441-R443 PolarHBondContact O-N 2.69Å; I441-W444 PolarHBondContact O-N 2.95Å; I441-A445 WeakPolarHBondContact O-CB 3.48Å; I441-A445 PolarHBondContact O-N 2.71Å; I441-L526 HydrophobicContact CG2-CD2 3.78Å; I441-L529 HydrophobicContact CD1-CB 4.06Å; I441-L529 VanDerWaalsContact CD1-O 3.29Å; I441-L529 WeakPolarHBondContact CD1-O 3.24Å; I441-L529 HydrophobicContact CG1-CB 4.18Å; I441-L529 HydrophobicContact CG2-CB 3.96Å; I441-L529 HydrophobicContact CG2-CD1 4.15Å; I441-L530 HydrophobicContact CB-CD2 4.5Å; I441-L530 HydrophobicContact CD1-CD2 3.54Å; I441-L530 HydrophobicContact CD1-CG 3.89Å; I441-L530 HydrophobicContact CG2-CD2 4.39Å; I441-L530 HydrophobicContact CG2-CG 4.16Å
442	Q	93.4	Very high	85.8	Confident	35 Å²	35	52.7 Å²	52.7	16%	0.164	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-38.7	175.7	-179.3	-178.7	65.3	0	0	113.8	E438 C440 A446 F590 P593 V594	E438-Q442 VanDerWaalsContact O-CB 3.29Å; E438-Q442 WeakPolarHBondContact O-CB 3.45Å; E438-Q442 PolarHBondContact O-N 3.45Å; C440-Q442 PolarHBondContact O-N 3.24Å; Q442-A446 PolarHBondContact O-N 2.73Å; Q442-F590 HydrophobicContact CB-CE1 4.06Å; Q442-F590 HydrophobicContact CB-CE2 4.39Å; Q442-F590 HydrophobicContact CB-CZ 3.75Å; Q442-F590 HydrophobicContact CG-CE1 4.11Å; Q442-F590 HydrophobicContact CG-CZ 4.14Å; Q442-F590 PolarHBondContact NE2-O 3.09Å; Q442-P593 VanDerWaalsContact NE2-CG 3.34Å; Q442-V594 HydrophobicContact CG-CG2 4.02Å
443	R	92.3	Very high	87.9	Confident	141 Å²	141	51.6 Å²	51.6	53%	0.532	24%	0.243	S	C	.	.	H	α-helix	trans	-71.8	-45.9	174.9	-64.2	-172.5	-149.5	95.3	8.6	110.8	G439 C440 I441 A445 A446 E447	G439-R443 PolarHBondContact O-NH1 2.72Å; G439-R443 PolarHBondContact O-NH2 2.8Å; C440-R443 PolarHBondContact O-N 2.82Å; I441-R443 PolarHBondContact O-N 2.69Å; R443-A445 VanDerWaalsContact C-N 3.33Å; R443-A445 PolarHBondContact O-N 2.7Å; R443-A446 WeakPolarHBondContact O-CB 3.28Å; R443-A446 PolarHBondContact O-N 3.34Å; R443-A446 VanDerWaalsContact O-N 3.08Å; R443-E447 WeakPolarHBondContact O-CG 3.4Å; R443-E447 PolarHBondContact O-N 3.06Å
444	W	93.5	Very high	89.4	Confident	46 Å²	46	44 Å²	44	17%	0.174	23%	0.225	C	C	.	.	H	α-helix	trans	-58.6	-43.2	175.6	-70.7	-19.7	0	0	0	112.2	I436 C440 I441 A446 E447 M448 L472 G476 I478	I436-W444 HydrophobicContact CD1-CZ3 4.25Å; I436-W444 HydrophobicContact CG2-CH2 4.22Å; I436-W444 HydrophobicContact CG2-CZ3 3.76Å; C440-W444 PolarHBondContact O-N 2.76Å; C440-W444 VanDerWaalsContact O-N 3.07Å; I441-W444 PolarHBondContact O-N 2.95Å; W444-A446 VanDerWaalsContact C-N 3.31Å; W444-A446 PolarHBondContact O-N 2.67Å; W444-E447 PolarHBondContact O-N 3.02Å; W444-M448 WeakPolarHBondContact O-CB 3.29Å; W444-M448 VanDerWaalsContact O-CG 3.24Å; W444-M448 WeakPolarHBondContact O-CG 3.36Å; W444-M448 PolarHBondContact O-N 2.88Å; W444-L472 HydrophobicContact CH2-CD1 4.08Å; W444-L472 HydrophobicContact CZ2-CD1 3.69Å; W444-L472 HydrophobicContact CZ2-CD2 3.97Å; W444-G476 PolarHBondContact NE1-O 3.26Å; W444-I478 HydrophobicContact CB-CD1 3.53Å; W444-I478 HydrophobicContact CB-CG1 4.31Å; W444-I478 HydrophobicContact CG-CD1 3.86Å; W444-I478 HydrophobicContact CG-CG1 4.15Å
445	A	94.7	Very high	90.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57	-43.4	172.4	0	0	0	0	0	111.9	I441 R443 M448 V449 L526 F590 F591	I441-A445 WeakPolarHBondContact O-CB 3.48Å; I441-A445 PolarHBondContact O-N 2.71Å; R443-A445 VanDerWaalsContact C-N 3.33Å; R443-A445 PolarHBondContact O-N 2.7Å; A445-M448 PolarHBondContact O-N 3.18Å; A445-V449 WeakPolarHBondContact O-CB 3.22Å; A445-V449 VanDerWaalsContact O-CG2 3.25Å; A445-V449 WeakPolarHBondContact O-CG2 3.32Å; A445-V449 PolarHBondContact O-N 3.11Å; A445-L526 HydrophobicContact CB-CD1 4.03Å; A445-L526 HydrophobicContact CB-CD2 3.61Å; A445-L526 HydrophobicContact CB-CG 4.47Å; A445-F590 HydrophobicContact CB-CE1 4.02Å; A445-F591 HydrophobicContact CB-CE1 3.76Å; A445-F591 HydrophobicContact CB-CZ 4.09Å
446	A	94.9	Very high	91.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-70.9	-39.3	178.9	0	0	0	0	0	112.7	Q442 R443 W444 V449 V450 F591 V594 W596 L599	Q442-A446 PolarHBondContact O-N 2.73Å; R443-A446 WeakPolarHBondContact O-CB 3.28Å; R443-A446 PolarHBondContact O-N 3.34Å; R443-A446 VanDerWaalsContact O-N 3.08Å; W444-A446 VanDerWaalsContact C-N 3.31Å; W444-A446 PolarHBondContact O-N 2.67Å; A446-V449 PolarHBondContact O-N 2.86Å; A446-V450 WeakPolarHBondContact O-CB 3.48Å; A446-V450 WeakPolarHBondContact O-CG2 3.13Å; A446-V450 PolarHBondContact O-N 3Å; A446-F591 HydrophobicContact CB-CD1 4.07Å; A446-F591 HydrophobicContact CB-CE1 4.07Å; A446-V594 HydrophobicContact CB-CG1 3.79Å; A446-V594 HydrophobicContact CB-CG2 4.4Å; A446-W596 HydrophobicContact CB-CE3 4.4Å; A446-W596 HydrophobicContact CB-CH2 3.77Å; A446-W596 HydrophobicContact CB-CZ3 3.64Å; A446-L599 HydrophobicContact CB-CD1 3.45Å; A446-L599 VanDerWaalsContact CB-CD1 3.45Å
447	E	93.8	Very high	92.1	Very high	28 Å²	28	35.5 Å²	35.5	13%	0.131	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-42.2	171.9	-71.8	174.6	174.1	0	0	111.3	R443 W444 V450 A451 H477 I478 L599	R443-E447 WeakPolarHBondContact O-CG 3.4Å; R443-E447 PolarHBondContact O-N 3.06Å; W444-E447 PolarHBondContact O-N 3.02Å; E447-V450 PolarHBondContact O-N 3.24Å; E447-A451 WeakPolarHBondContact O-CB 3.15Å; E447-A451 PolarHBondContact O-N 3.33Å; E447-H477 IonicContact OE1-CE1 3.87Å; E447-H477 IonicContact OE1-CG 3.58Å; E447-H477 IonicContact OE1-ND1 2.78Å; E447-H477 PolarHBondContact OE1-ND1 3.35Å; E447-H477 WeakPolarHBondContact OE2-CA 3.08Å; E447-I478 HydrophobicContact CB-CB 4.34Å; E447-I478 PolarHBondContact OE2-N 3.39Å; E447-L599 HydrophobicContact CG-CD2 3.94Å
448	M	94	Very high	92.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.5	-45	173.7	-70	170.7	71.9	0	0	112.2	W444 A445 V450 A451 L452 L465 I470 I478 L522 V525	W444-M448 WeakPolarHBondContact O-CB 3.29Å; W444-M448 VanDerWaalsContact O-CG 3.24Å; W444-M448 WeakPolarHBondContact O-CG 3.36Å; W444-M448 PolarHBondContact O-N 2.88Å; A445-M448 PolarHBondContact O-N 3.18Å; M448-V450 VanDerWaalsContact C-N 3.34Å; M448-V450 PolarHBondContact O-N 2.96Å; M448-A451 PolarHBondContact O-N 3.19Å; M448-L452 WeakPolarHBondContact O-CB 3.43Å; M448-L452 VanDerWaalsContact O-CG 3.31Å; M448-L452 WeakPolarHBondContact O-CG 3.49Å; M448-L452 PolarHBondContact O-N 2.97Å; M448-L465 HydrophobicContact CE-CD1 4.14Å; M448-L465 HydrophobicContact CE-CD2 3.9Å; M448-L465 HydrophobicContact CE-CG 4.23Å; M448-I470 HydrophobicContact CE-CD1 3.48Å; M448-I470 VanDerWaalsContact CE-CD1 3.48Å; M448-I470 HydrophobicContact CE-CG1 4.42Å; M448-I470 HydrophobicContact SD-CD1 4.13Å; M448-I478 HydrophobicContact CG-CD1 3.62Å; M448-I478 HydrophobicContact CG-CG2 4.21Å; M448-I478 HydrophobicContact SD-CD1 3.77Å; M448-L522 HydrophobicContact CB-CD1 3.89Å; M448-L522 HydrophobicContact CE-CD1 3.63Å; M448-L522 HydrophobicContact SD-CD1 4.04Å; M448-V525 HydrophobicContact CE-CB 4.38Å; M448-V525 HydrophobicContact CE-CG1 4.11Å
449	V	94.7	Very high	92	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-44.8	175.9	166.6	0	0	0	0	110.8	A445 A446 D453 W519 L522 V582 I585 K586 F591 W596	A445-V449 WeakPolarHBondContact O-CB 3.22Å; A445-V449 VanDerWaalsContact O-CG2 3.25Å; A445-V449 WeakPolarHBondContact O-CG2 3.32Å; A445-V449 PolarHBondContact O-N 3.11Å; A446-V449 PolarHBondContact O-N 2.86Å; V449-D453 WeakPolarHBondContact O-CB 3.35Å; V449-D453 PolarHBondContact O-N 2.9Å; V449-W519 HydrophobicContact CG2-CZ3 4.29Å; V449-L522 HydrophobicContact CG2-CD2 3.56Å; V449-V582 HydrophobicContact CG1-CG2 3.65Å; V449-I585 HydrophobicContact CG1-CG2 4.32Å; V449-I585 HydrophobicContact CG2-CG2 3.81Å; V449-K586 HydrophobicContact CG1-CG 4.12Å; V449-F591 HydrophobicContact CG2-CZ 4.27Å; V449-W596 HydrophobicContact CB-CH2 4.34Å; V449-W596 HydrophobicContact CB-CZ3 4.3Å; V449-W596 HydrophobicContact CG1-CH2 4.08Å; V449-W596 HydrophobicContact CG1-CZ3 4.07Å
450	V	93.6	Very high	91.8	Very high	24 Å²	24	41.9 Å²	41.9	15%	0.145	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-42.2	175.4	163.1	0	0	0	0	111.9	A446 E447 M448 A454 W596 L599 M600	A446-V450 WeakPolarHBondContact O-CB 3.48Å; A446-V450 WeakPolarHBondContact O-CG2 3.13Å; A446-V450 PolarHBondContact O-N 3Å; E447-V450 PolarHBondContact O-N 3.24Å; M448-V450 VanDerWaalsContact C-N 3.34Å; M448-V450 PolarHBondContact O-N 2.96Å; V450-A454 WeakPolarHBondContact O-CB 3.31Å; V450-A454 PolarHBondContact O-N 3.47Å; V450-W596 HydrophobicContact CG2-CE3 3.93Å; V450-W596 HydrophobicContact CG2-CZ3 4.05Å; V450-L599 HydrophobicContact CG2-CB 4.5Å; V450-M600 HydrophobicContact CG1-SD 3.51Å; V450-M600 VanDerWaalsContact CG1-SD 3.51Å; V450-M600 HydrophobicContact CG2-SD 4.23Å
451	A	91.9	Very high	91.6	Very high	31 Å²	31	41.1 Å²	41.1	26%	0.256	22%	0.215	S	C	.	.	H	α-helix	trans	-69.2	-41.5	-179.9	0	0	0	0	0	112.9	E447 M448 A454 L455 L480	E447-A451 WeakPolarHBondContact O-CB 3.15Å; E447-A451 PolarHBondContact O-N 3.33Å; M448-A451 PolarHBondContact O-N 3.19Å; A451-A454 WeakPolarHBondContact O-CB 3.42Å; A451-A454 PolarHBondContact O-N 2.89Å; A451-L455 WeakPolarHBondContact O-CG 3.39Å; A451-L455 PolarHBondContact O-N 3.37Å; A451-L480 HydrophobicContact CB-CD1 3.69Å; A451-L480 HydrophobicContact CB-CG 4.28Å
452	L	92.3	Very high	91.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-46	175.6	-68.9	169.7	0	0	0	111.4	M448 A454 L455 H456 C462 L465 D518 W519 L522	M448-L452 WeakPolarHBondContact O-CB 3.43Å; M448-L452 VanDerWaalsContact O-CG 3.31Å; M448-L452 WeakPolarHBondContact O-CG 3.49Å; M448-L452 PolarHBondContact O-N 2.97Å; L452-A454 PolarHBondContact O-N 2.56Å; L452-L455 WeakPolarHBondContact O-CA 3.05Å; L452-L455 WeakPolarHBondContact O-CB 3.48Å; L452-L455 PolarHBondContact O-N 2.96Å; L452-H456 VanDerWaalsContact O-CG 3.26Å; L452-H456 PolarHBondContact O-N 2.83Å; L452-C462 HydrophobicContact CD2-CB 3.88Å; L452-L465 HydrophobicContact CD1-CD2 3.8Å; L452-L465 HydrophobicContact CD2-CD2 4.24Å; L452-L465 HydrophobicContact CG-CD2 4.5Å; L452-D518 HydrophobicContact CD1-CB 4.35Å; L452-D518 HydrophobicContact CD2-CB 4.02Å; L452-W519 HydrophobicContact CB-CH2 3.72Å; L452-W519 HydrophobicContact CB-CZ3 3.74Å; L452-W519 HydrophobicContact CD1-CE3 3.96Å; L452-W519 HydrophobicContact CD1-CH2 4.39Å; L452-W519 HydrophobicContact CD1-CZ3 3.57Å; L452-W519 HydrophobicContact CG-CZ3 4.33Å; L452-L522 HydrophobicContact CD1-CB 4.48Å
453	D	92.8	Very high	90.7	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.059	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-30.6	173.8	179.5	29.3	0	0	0	113	V449 R457 V582 K586	V449-D453 WeakPolarHBondContact O-CB 3.35Å; V449-D453 PolarHBondContact O-N 2.9Å; D453-R457 VanDerWaalsContact C-NH1 3.27Å; D453-R457 VanDerWaalsContact O-CG 3.31Å; D453-R457 WeakPolarHBondContact O-CG 3.47Å; D453-R457 PolarHBondContact O-N 3.23Å; D453-R457 PolarHBondContact O-NH1 2.99Å; D453-R457 IonicContact OD1-CZ 2.69Å; D453-R457 IonicContact OD1-NE 2.67Å; D453-R457 IonicContact OD1-NH1 2.72Å; D453-R457 PolarHBondContact OD1-NH1 2.82Å; D453-R457 IonicContact OD1-NH2 3.88Å; D453-R457 PolarHBondContact OD1-NH2 3.16Å; D453-R457 IonicContact OD2-CZ 3.3Å; D453-R457 VanDerWaalsContact OD2-CZ 3.26Å; D453-R457 IonicContact OD2-NH1 2.97Å; D453-R457 PolarHBondContact OD2-NH1 3.17Å; D453-R457 IonicContact OD2-NH2 2.6Å; D453-R457 PolarHBondContact OD2-NH2 2.93Å; D453-V582 HydrophobicContact CB-CG2 4Å; D453-V582 WeakPolarHBondContact OD1-CG1 3.5Å; D453-K586 WeakPolarHBondContact OD2-CE 3.27Å; D453-K586 IonicContact OD2-NZ 2.69Å; D453-K586 PolarHBondContact OD2-NZ 3.47Å
454	A	90.9	Very high	90.1	Very high	51 Å²	51	36.2 Å²	36.2	42%	0.421	20%	0.197	S	C	.	.	H	α-helix	trans	-71.5	-37.8	171.5	0	0	0	0	0	112.6	V450 A451 L452	V450-A454 WeakPolarHBondContact O-CB 3.31Å; V450-A454 PolarHBondContact O-N 3.47Å; A451-A454 WeakPolarHBondContact O-CB 3.42Å; A451-A454 PolarHBondContact O-N 2.89Å; L452-A454 PolarHBondContact O-N 2.56Å
455	L	89.6	Confident	89.8	Confident	37 Å²	37	34.1 Å²	34.1	19%	0.194	19%	0.189	C	C	.	.	H	α-helix	trans	-71.8	-46	176.8	-66.1	169.8	0	0	0	111.8	A451 L452 R457 E458 G459 I460 Y482	A451-L455 WeakPolarHBondContact O-CG 3.39Å; A451-L455 PolarHBondContact O-N 3.37Å; L452-L455 WeakPolarHBondContact O-CA 3.05Å; L452-L455 WeakPolarHBondContact O-CB 3.48Å; L452-L455 PolarHBondContact O-N 2.96Å; L455-R457 VanDerWaalsContact C-N 3.32Å; L455-R457 PolarHBondContact O-N 3.43Å; L455-E458 PolarHBondContact O-N 2.98Å; L455-G459 PolarHBondContact O-N 3.04Å; L455-I460 CarbonylContact C-O 3.57Å; L455-I460 HydrophobicContact CB-CB 4.21Å; L455-I460 HydrophobicContact CB-CG2 4.41Å; L455-I460 WeakPolarHBondContact CB-O 3.19Å; L455-I460 HydrophobicContact CD2-CB 4.46Å; L455-I460 HydrophobicContact CD2-CG2 4.17Å; L455-I460 WeakPolarHBondContact O-CB 3.31Å; L455-I460 PolarHBondContact O-N 3.5Å; L455-Y482 HydrophobicContact CD2-CD1 4.39Å
456	H	90.8	Very high	89.5	Confident	12 Å²	12	34.2 Å²	34.2	6%	0.056	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-40.9	179.8	-64.5	160.8	0	0	0	112.1	L452 E458 G459 I460 E515 D518 W519	L452-H456 VanDerWaalsContact O-CG 3.26Å; L452-H456 PolarHBondContact O-N 2.83Å; H456-E458 VanDerWaalsContact C-N 3.26Å; H456-E458 PolarHBondContact O-N 3.46Å; H456-G459 WeakPolarHBondContact O-CA 3.47Å; H456-G459 PolarHBondContact O-N 3.39Å; H456-I460 PolarHBondContact CD2-O 2.96Å; H456-I460 PolarHBondContact N-O 3.25Å; H456-E515 HydrophobicContact CB-CG 4.16Å; H456-D518 IonicContact CD2-OD2 3.69Å; H456-D518 IonicContact CE1-OD2 2.71Å; H456-D518 IonicContact NE2-OD2 2.95Å; H456-D518 PolarHBondContact NE2-OD2 3.42Å; H456-W519 AromaticContact CE1-CE2 3.77Å; H456-W519 AromaticContact CE1-CH2 3.92Å; H456-W519 AromaticContact CE1-CZ2 3.47Å; H456-W519 VanDerWaalsContact CE1-CZ2 3.47Å; H456-W519 WeakPolarHBondContact CE1-CZ2 3.47Å; H456-W519 AromaticContact ND1-CE2 3.95Å; H456-W519 AromaticContact ND1-CH2 3.87Å; H456-W519 AromaticContact ND1-CZ2 3.31Å; H456-W519 VanDerWaalsContact ND1-CZ2 3.31Å; H456-W519 WeakPolarHBondContact ND1-CZ2 3.48Å
457	R	90.8	Very high	89.1	Confident	142 Å²	142	34.6 Å²	34.6	54%	0.536	19%	0.192	S	C	.	.	H	α-helix	trans	-60.1	-30.4	173.8	-77.4	-175.2	-164	95.3	-2.4	114.7	D453 L455	D453-R457 VanDerWaalsContact C-NH1 3.27Å; D453-R457 VanDerWaalsContact O-CG 3.31Å; D453-R457 WeakPolarHBondContact O-CG 3.47Å; D453-R457 PolarHBondContact O-N 3.23Å; D453-R457 PolarHBondContact O-NH1 2.99Å; D453-R457 IonicContact OD1-CZ 2.69Å; D453-R457 IonicContact OD1-NE 2.67Å; D453-R457 IonicContact OD1-NH1 2.72Å; D453-R457 PolarHBondContact OD1-NH1 2.82Å; D453-R457 IonicContact OD1-NH2 3.88Å; D453-R457 PolarHBondContact OD1-NH2 3.16Å; D453-R457 IonicContact OD2-CZ 3.3Å; D453-R457 VanDerWaalsContact OD2-CZ 3.26Å; D453-R457 IonicContact OD2-NH1 2.97Å; D453-R457 PolarHBondContact OD2-NH1 3.17Å; D453-R457 IonicContact OD2-NH2 2.6Å; D453-R457 PolarHBondContact OD2-NH2 2.93Å; L455-R457 VanDerWaalsContact C-N 3.32Å; L455-R457 PolarHBondContact O-N 3.43Å
458	E	89.4	Confident	88.7	Confident	155 Å²	155	35.8 Å²	35.8	72%	0.724	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	4.4	175.6	-59.9	-66	143.3	0	0	111.9	L455 H456 I460	L455-E458 PolarHBondContact O-N 2.98Å; H456-E458 VanDerWaalsContact C-N 3.26Å; H456-E458 PolarHBondContact O-N 3.46Å; E458-I460 HydrophobicContact CB-CD1 4.06Å; E458-I460 HydrophobicContact CB-CG1 4.18Å
459	G	86.5	Confident	88.4	Confident	63 Å²	63	37.2 Å²	37.2	65%	0.649	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	18.6	-177.3	0	0	0	0	0	114.1	L455 H456	L455-G459 PolarHBondContact O-N 3.04Å; H456-G459 WeakPolarHBondContact O-CA 3.47Å; H456-G459 PolarHBondContact O-N 3.39Å
460	I	86	Confident	88.1	Confident	64 Å²	64	37.6 Å²	37.6	33%	0.328	21%	0.209	S	C	.	.			trans	-107.2	116.9	-171.8	-57.8	177.5	0	0	0	109.8	L455 H456 E458 Y482	L455-I460 CarbonylContact C-O 3.57Å; L455-I460 HydrophobicContact CB-CB 4.21Å; L455-I460 HydrophobicContact CB-CG2 4.41Å; L455-I460 WeakPolarHBondContact CB-O 3.19Å; L455-I460 HydrophobicContact CD2-CB 4.46Å; L455-I460 HydrophobicContact CD2-CG2 4.17Å; L455-I460 WeakPolarHBondContact O-CB 3.31Å; L455-I460 PolarHBondContact O-N 3.5Å; H456-I460 PolarHBondContact CD2-O 2.96Å; H456-I460 PolarHBondContact N-O 3.25Å; E458-I460 HydrophobicContact CB-CD1 4.06Å; E458-I460 HydrophobicContact CB-CG1 4.18Å; I460-Y482 HydrophobicContact CG2-CE1 3.56Å; I460-Y482 WeakPolarHBondContact CG2-OH 3.44Å
461	V	86.5	Confident	88	Confident	23 Å²	23	37.4 Å²	37.4	14%	0.139	21%	0.207	C	C	.	.			trans	-95	138.4	173.7	-170.3	0	0	0	0	109.4	R463 Y482 E515 C517 D518	V461-R463 HydrophobicContact CB-CG 4.09Å; V461-R463 HydrophobicContact CG1-CG 3.71Å; V461-Y482 PolarHBondContact O-OH 3Å; V461-E515 HydrophobicContact CG2-CG 4.3Å; V461-C517 VanDerWaalsContact CG1-SG 3.57Å; V461-D518 WeakPolarHBondContact CG1-OD2 3.49Å
462	C	83	Confident	87.8	Confident	9 Å²	9	38.4 Å²	38.4	6%	0.061	21%	0.208	C	C	.	.			trans	-76.3	-47	-174.7	-168.8	0	0	0	0	112.3	L452 D464 Y482 D518	L452-C462 HydrophobicContact CD2-CB 3.88Å; C462-D464 PolarHBondContact O-N 3.29Å; C462-Y482 HydrophobicContact CB-CD2 4.42Å; C462-Y482 HydrophobicContact CB-CE2 4.33Å; C462-Y482 WeakPolarHBondContact O-CE2 3.49Å; C462-D518 VanDerWaalsContact CB-OD1 3.3Å; C462-D518 WeakPolarHBondContact CB-OD1 3.42Å; C462-D518 WeakPolarHBondContact CB-OD2 3.44Å; C462-D518 PolarHBondContact N-OD1 3.16Å; C462-D518 PolarHBondContact N-OD2 3.2Å
463	R	83.6	Confident	87.7	Confident	53 Å²	53	40.2 Å²	40.2	20%	0.2	22%	0.218	C	C	.	.	S	Bend	trans	63.3	-24.3	175.3	-52.6	176.6	174.7	-145.7	-14.4	116.6	V461 E513 D518	V461-R463 HydrophobicContact CB-CG 4.09Å; V461-R463 HydrophobicContact CG1-CG 3.71Å; R463-E513 IonicContact CZ-OE2 2.77Å; R463-E513 IonicContact NE-OE2 3.73Å; R463-E513 IonicContact NH1-OE2 3.99Å; R463-E513 PolarHBondContact NH1-OE2 3.37Å; R463-E513 IonicContact NH2-OE2 3.73Å; R463-E513 PolarHBondContact NH2-OE2 3.46Å; R463-D518 PolarHBondContact N-OD1 2.97Å
464	D	79.3	Confident	87.4	Confident	12 Å²	12	46.2 Å²	46.2	6%	0.064	25%	0.249	C	C	.	.			trans	-127.7	45.1	-179.7	-165.4	7.4	0	0	0	111.8	C462 N466 N469 R485	C462-D464 PolarHBondContact O-N 3.29Å; D464-N466 PolarHBondContact O-N 3.31Å; D464-N466 PolarHBondContact OD1-ND2 2.76Å; D464-N469 PolarHBondContact O-ND2 3.21Å; D464-R485 VanDerWaalsContact CG-NH1 3.35Å; D464-R485 IonicContact OD2-CZ 2.7Å; D464-R485 IonicContact OD2-NH1 3Å; D464-R485 PolarHBondContact OD2-NH1 3.43Å; D464-R485 IonicContact OD2-NH2 2.73Å; D464-R485 PolarHBondContact OD2-NH2 3.43Å
465	L	87.8	Confident	87.1	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	26%	0.258	C	S	.	.			trans	-79.4	96.8	174	-177.9	73.5	0	0	0	109.6	M448 L452 I470 L480 S521 L522	M448-L465 HydrophobicContact CE-CD1 4.14Å; M448-L465 HydrophobicContact CE-CD2 3.9Å; M448-L465 HydrophobicContact CE-CG 4.23Å; L452-L465 HydrophobicContact CD1-CD2 3.8Å; L452-L465 HydrophobicContact CD2-CD2 4.24Å; L452-L465 HydrophobicContact CG-CD2 4.5Å; L465-I470 HydrophobicContact CD1-CD1 4.28Å; L465-I470 HydrophobicContact CD1-CG1 4.24Å; L465-L480 HydrophobicContact CD1-CD1 4.28Å; L465-L480 HydrophobicContact CD1-CD2 3.85Å; L465-S521 WeakPolarHBondContact O-CB 3.22Å; L465-L522 HydrophobicContact CD2-CB 4.28Å
466	N	87.7	Confident	86.8	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.011	27%	0.266	C	S	.	.			trans	-132.2	165.2	178.1	76.3	67.6	0	0	0	110.8	D464 N468 N469 A497 Y502	D464-N466 PolarHBondContact O-N 3.31Å; D464-N466 PolarHBondContact OD1-ND2 2.76Å; N466-N468 VanDerWaalsContact C-N 3.25Å; N466-N468 PolarHBondContact O-N 2.91Å; N466-N468 VanDerWaalsContact O-N 3.16Å; N466-N468 WeakPolarHBondContact OD1-CA 3.47Å; N466-N468 VanDerWaalsContact OD1-CB 3.23Å; N466-N468 WeakPolarHBondContact OD1-CB 3.25Å; N466-N468 PolarHBondContact OD1-N 2.81Å; N466-N468 PolarHBondContact OD1-ND2 2.78Å; N466-N469 PolarHBondContact ND2-ND2 2.74Å; N466-N469 PolarHBondContact O-N 2.92Å; N466-A497 HydrophobicContact CB-CB 4.28Å; N466-Y502 HydrophobicContact CB-CD2 3.42Å; N466-Y502 VanDerWaalsContact CB-CD2 3.42Å; N466-Y502 HydrophobicContact CB-CE2 3.92Å; N466-Y502 HydrophobicContact CB-CG 4.05Å
467	P	87.3	Confident	86.7	Confident	7 Å²	7	54.6 Å²	54.6	5%	0.045	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-57.8	-29.5	-176.3	-27.4	36.8	0	0	0	115.4	L269 N469 I470 Y502 V525	L269-P467 HydrophobicContact CD1-CB 3.93Å; L269-P467 HydrophobicContact CD1-CG 4.15Å; L269-P467 HydrophobicContact CG-CB 4.42Å; P467-N469 PolarHBondContact O-N 3.47Å; P467-I470 PolarHBondContact O-N 3.05Å; P467-Y502 HydrophobicContact CG-CE1 4.08Å; P467-Y502 HydrophobicContact CG-CE2 4.17Å; P467-V525 HydrophobicContact CG-CG2 4.23Å
468	N	84.9	Confident	86.7	Confident	54 Å²	54	49.1 Å²	49.1	29%	0.289	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-68.9	-25.3	176.6	-47.9	-72.4	0	0	0	112.1	N466 I470	N466-N468 VanDerWaalsContact C-N 3.25Å; N466-N468 PolarHBondContact O-N 2.91Å; N466-N468 VanDerWaalsContact O-N 3.16Å; N466-N468 WeakPolarHBondContact OD1-CA 3.47Å; N466-N468 VanDerWaalsContact OD1-CB 3.23Å; N466-N468 WeakPolarHBondContact OD1-CB 3.25Å; N466-N468 PolarHBondContact OD1-N 2.81Å; N466-N468 PolarHBondContact OD1-ND2 2.78Å; N468-I470 VanDerWaalsContact C-N 3.34Å
469	N	86.4	Confident	86.7	Confident	29 Å²	29	47 Å²	47	16%	0.155	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-91.9	8.9	178.7	-70.1	-22.7	0	0	0	113.2	D464 N466 P467 L480 T481	D464-N469 PolarHBondContact O-ND2 3.21Å; N466-N469 PolarHBondContact ND2-ND2 2.74Å; N466-N469 PolarHBondContact O-N 2.92Å; P467-N469 PolarHBondContact O-N 3.47Å; N469-L480 WeakPolarHBondContact O-CA 3.22Å; N469-T481 WeakPolarHBondContact CA-OG1 3.18Å; N469-T481 PolarHBondContact O-N 2.96Å; N469-T481 PolarHBondContact O-OG1 2.97Å
470	I	90.1	Very high	86.7	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	104.2	179.2	-60.5	167	0	0	0	108.4	M448 L465 P467 N468 I478 L480 V525	M448-I470 HydrophobicContact CE-CD1 3.48Å; M448-I470 VanDerWaalsContact CE-CD1 3.48Å; M448-I470 HydrophobicContact CE-CG1 4.42Å; M448-I470 HydrophobicContact SD-CD1 4.13Å; L465-I470 HydrophobicContact CD1-CD1 4.28Å; L465-I470 HydrophobicContact CD1-CG1 4.24Å; P467-I470 PolarHBondContact O-N 3.05Å; N468-I470 VanDerWaalsContact C-N 3.34Å; I470-I478 HydrophobicContact CG2-CD1 3.65Å; I470-I478 HydrophobicContact CG2-CG1 3.88Å; I470-I478 HydrophobicContact CG2-CG2 4.18Å; I470-L480 HydrophobicContact CG1-CD2 3.84Å; I470-V525 HydrophobicContact CD1-CG1 3.78Å; I470-V525 HydrophobicContact CD1-CG2 4.08Å
471	L	90	Very high	86.5	Confident	21 Å²	21	44.6 Å²	44.6	11%	0.11	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	158.5	175	-57.8	-172.2	0	0	0	111.3	V266 I478 Q479 T481	V266-L471 HydrophobicContact CB-CD2 4.27Å; V266-L471 HydrophobicContact CG1-CD2 4.21Å; V266-L471 HydrophobicContact CG2-CD2 4.07Å; L471-I478 CarbonylContact O-C 3.55Å; L471-I478 WeakPolarHBondContact O-CA 3.21Å; L471-Q479 PolarHBondContact N-O 2.9Å; L471-Q479 PolarHBondContact O-N 2.91Å; L471-T481 HydrophobicContact CD1-CG2 3.48Å; L471-T481 VanDerWaalsContact CD1-CG2 3.48Å; L471-T481 HydrophobicContact CG-CG2 3.83Å
472	L	89.3	Confident	85.6	Confident	51 Å²	51	46.8 Å²	46.8	27%	0.267	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.2	168	-64.3	175	0	0	0	109.4	L267 W444 H477 I478	L267-L472 HydrophobicContact CD1-CD1 4.11Å; L267-L472 HydrophobicContact CD1-CG 4.08Å; L267-L472 HydrophobicContact CD2-CD1 4.38Å; W444-L472 HydrophobicContact CH2-CD1 4.08Å; W444-L472 HydrophobicContact CZ2-CD1 3.69Å; W444-L472 HydrophobicContact CZ2-CD2 3.97Å; L472-H477 WeakPolarHBondContact CA-O 3.47Å; L472-I478 HydrophobicContact CD2-CG1 3.77Å
473	N	88.3	Confident	84.6	Confident	39 Å²	39	53.5 Å²	53.5	21%	0.209	26%	0.261	C	S	.	.			trans	-88	178.9	175.5	68.5	30.4	0	0	0	112.8	R475 G476 H477	N473-R475 PolarHBondContact O-N 3.3Å; N473-R475 PolarHBondContact OD1-N 3.46Å; N473-G476 PolarHBondContact O-N 2.73Å; N473-G476 PolarHBondContact OD1-N 3.09Å; N473-H477 PolarHBondContact N-O 3.01Å; N473-H477 PolarHBondContact OD1-N 3Å
474	D	86.6	Confident	83.3	Confident	136 Å²	136	53.7 Å²	53.7	73%	0.727	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-14	180	64	-66.4	0	0	0	115.1
475	R	85	Confident	82.5	Confident	161 Å²	161	56.6 Å²	56.6	61%	0.608	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	0.8	177.5	-65.9	174.6	-58.2	-67.8	-7.8	113.3	N473	N473-R475 PolarHBondContact O-N 3.3Å; N473-R475 PolarHBondContact OD1-N 3.46Å
476	G	84.3	Confident	81.1	Confident	34 Å²	34	65.2 Å²	65.2	35%	0.351	31%	0.313	S	S	.	.	S	Bend	trans	82	12.2	178.1	0	0	0	0	0	115.8	W444 N473	W444-G476 PolarHBondContact NE1-O 3.26Å; N473-G476 PolarHBondContact O-N 2.73Å; N473-G476 PolarHBondContact OD1-N 3.09Å
477	H	88.8	Confident	79.6	Confident	82 Å²	82	68.9 Å²	68.9	38%	0.38	34%	0.339	S	S	.	.			trans	-84.4	152.8	170.1	-53.5	-83	0	0	0	111	E447 L472 N473	E447-H477 IonicContact OE1-CE1 3.87Å; E447-H477 IonicContact OE1-CG 3.58Å; E447-H477 IonicContact OE1-ND1 2.78Å; E447-H477 PolarHBondContact OE1-ND1 3.35Å; E447-H477 WeakPolarHBondContact OE2-CA 3.08Å; L472-H477 WeakPolarHBondContact CA-O 3.47Å; N473-H477 PolarHBondContact N-O 3.01Å; N473-H477 PolarHBondContact OD1-N 3Å
478	I	90.6	Very high	78.2	Confident	26 Å²	26	77.5 Å²	77.5	13%	0.133	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	141.9	174.7	-81.1	-179.4	0	0	0	112.4	W444 E447 M448 I470 L471 L472 L480	W444-I478 HydrophobicContact CB-CD1 3.53Å; W444-I478 HydrophobicContact CB-CG1 4.31Å; W444-I478 HydrophobicContact CG-CD1 3.86Å; W444-I478 HydrophobicContact CG-CG1 4.15Å; E447-I478 HydrophobicContact CB-CB 4.34Å; E447-I478 PolarHBondContact OE2-N 3.39Å; M448-I478 HydrophobicContact CG-CD1 3.62Å; M448-I478 HydrophobicContact CG-CG2 4.21Å; M448-I478 HydrophobicContact SD-CD1 3.77Å; I470-I478 HydrophobicContact CG2-CD1 3.65Å; I470-I478 HydrophobicContact CG2-CG1 3.88Å; I470-I478 HydrophobicContact CG2-CG2 4.18Å; L471-I478 CarbonylContact O-C 3.55Å; L471-I478 WeakPolarHBondContact O-CA 3.21Å; L472-I478 HydrophobicContact CD2-CG1 3.77Å; I478-L480 HydrophobicContact CG2-CD2 3.83Å; I478-L480 HydrophobicContact CG2-CG 4.26Å
479	Q	88.5	Confident	76.8	Confident	112 Å²	112	80.4 Å²	80.4	52%	0.523	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	111.9	165.8	-175.9	178.1	-46.4	0	0	108.5	L471 T481	L471-Q479 PolarHBondContact N-O 2.9Å; L471-Q479 PolarHBondContact O-N 2.91Å; Q479-T481 PolarHBondContact O-N 3.32Å
480	L	87.1	Confident	75.4	Confident	34 Å²	34	84 Å²	84	18%	0.178	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125.4	176.7	-59	-175.7	0	0	0	110.3	A451 L465 N469 I470 I478 Y482	A451-L480 HydrophobicContact CB-CD1 3.69Å; A451-L480 HydrophobicContact CB-CG 4.28Å; L465-L480 HydrophobicContact CD1-CD1 4.28Å; L465-L480 HydrophobicContact CD1-CD2 3.85Å; N469-L480 WeakPolarHBondContact O-CA 3.22Å; I470-L480 HydrophobicContact CG1-CD2 3.84Å; I478-L480 HydrophobicContact CG2-CD2 3.83Å; I478-L480 HydrophobicContact CG2-CG 4.26Å; L480-Y482 VanDerWaalsContact C-N 3.32Å; L480-Y482 PolarHBondContact O-N 3.09Å
481	T	81.1	Confident	73.7	Confident	42 Å²	42	91.6 Å²	91.6	26%	0.258	46%	0.455	S	S	.	.			trans	-91.1	72.6	168.7	49.7	0	0	0	0	109.6	N469 L471 Q479	N469-T481 WeakPolarHBondContact CA-OG1 3.18Å; N469-T481 PolarHBondContact O-N 2.96Å; N469-T481 PolarHBondContact O-OG1 2.97Å; L471-T481 HydrophobicContact CD1-CG2 3.48Å; L471-T481 VanDerWaalsContact CD1-CG2 3.48Å; L471-T481 HydrophobicContact CG-CG2 3.83Å; Q479-T481 PolarHBondContact O-N 3.32Å
482	Y	67.3	Low	72.2	Confident	68 Å²	68	94.6 Å²	94.6	27%	0.267	48%	0.478	S	S	.	.			trans	-71.5	132.3	178.9	174.7	-125.1	0	0	0	112.2	L455 I460 V461 C462 L480 S484	L455-Y482 HydrophobicContact CD2-CD1 4.39Å; I460-Y482 HydrophobicContact CG2-CE1 3.56Å; I460-Y482 WeakPolarHBondContact CG2-OH 3.44Å; V461-Y482 PolarHBondContact O-OH 3Å; C462-Y482 HydrophobicContact CB-CD2 4.42Å; C462-Y482 HydrophobicContact CB-CE2 4.33Å; C462-Y482 WeakPolarHBondContact O-CE2 3.49Å; L480-Y482 VanDerWaalsContact C-N 3.32Å; L480-Y482 PolarHBondContact O-N 3.09Å; Y482-S484 VanDerWaalsContact CZ-CA 3.41Å; Y482-S484 WeakPolarHBondContact OH-CA 3.23Å; Y482-S484 WeakPolarHBondContact OH-CB 3.43Å
483	F	61.8	Low	71.1	Confident	151 Å²	151	93.3 Å²	93.3	66%	0.662	47%	0.473	S	S	*	.			trans	-115.2	114.2	162.9	-71.2	-83.7	0	0	0	109	R485	F483-R485 PolarHBondContact O-N 3.35Å
484	S	58.2	Low	70.5	Confident	56 Å²	56	93.9 Å²	93.9	39%	0.392	48%	0.476	S	S	.	.			trans	-69.4	95.9	173.3	59.9	0	0	0	0	110.4	Y482 W486	Y482-S484 VanDerWaalsContact CZ-CA 3.41Å; Y482-S484 WeakPolarHBondContact OH-CA 3.23Å; Y482-S484 WeakPolarHBondContact OH-CB 3.43Å; S484-W486 PolarHBondContact O-N 2.95Å; S484-W486 PolarHBondContact O-NE1 3Å; S484-W486 PolarHBondContact OG-NE1 3.32Å
485	R	61.4	Low	70	Confident	73 Å²	73	91.5 Å²	91.5	28%	0.275	47%	0.47	S	S	.	.			trans	-71.3	123.3	165.5	-63.2	-153.1	-174.5	82.8	6.7	108.9	D464 F483 E490	D464-R485 VanDerWaalsContact CG-NH1 3.35Å; D464-R485 IonicContact OD2-CZ 2.7Å; D464-R485 IonicContact OD2-NH1 3Å; D464-R485 PolarHBondContact OD2-NH1 3.43Å; D464-R485 IonicContact OD2-NH2 2.73Å; D464-R485 PolarHBondContact OD2-NH2 3.43Å; F483-R485 PolarHBondContact O-N 3.35Å; R485-E490 HydrophobicContact CB-CB 4.49Å; R485-E490 WeakPolarHBondContact CD-OE2 3.38Å; R485-E490 VanDerWaalsContact CG-OE2 3.3Å; R485-E490 WeakPolarHBondContact CG-OE2 3.42Å; R485-E490 IonicContact NE-OE2 3.34Å
486	W	59.2	Low	69.8	Low	183 Å²	183	87.4 Å²	87.4	69%	0.693	46%	0.46	S	S	*	.			trans	-88.6	118.2	177.9	-64.2	77.5	0	0	0	108.4	S484 E488 V489 E490	S484-W486 PolarHBondContact O-N 2.95Å; S484-W486 PolarHBondContact O-NE1 3Å; S484-W486 PolarHBondContact OG-NE1 3.32Å; W486-E488 PolarHBondContact O-N 3.33Å; W486-V489 HydrophobicContact CB-CG2 4.35Å; W486-V489 PolarHBondContact O-N 3.35Å; W486-E490 PolarHBondContact O-N 2.77Å
487	S	56.5	Low	69.7	Low	80 Å²	80	85.8 Å²	85.8	56%	0.559	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-8.6	-175.3	50.9	0	0	0	0	114.9
488	E	55.9	Low	69.5	Low	188 Å²	188	86.3 Å²	86.3	88%	0.879	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-5.3	171.8	-59	-174.4	167.2	0	0	113.3	W486	W486-E488 PolarHBondContact O-N 3.33Å
489	V	55.9	Low	69.2	Low	115 Å²	115	89.7 Å²	89.7	70%	0.697	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.6	-32.8	-168.1	-170.6	0	0	0	0	113.5	W486	W486-V489 HydrophobicContact CB-CG2 4.35Å; W486-V489 PolarHBondContact O-N 3.35Å
490	E	57.1	Low	69.1	Low	105 Å²	105	85.3 Å²	85.3	49%	0.491	44%	0.442	S	S	.	.			trans	-127.2	92.8	-177.1	-65.8	-175.7	167.2	0	0	111.5	R485 W486 S492	R485-E490 HydrophobicContact CB-CB 4.49Å; R485-E490 WeakPolarHBondContact CD-OE2 3.38Å; R485-E490 VanDerWaalsContact CG-OE2 3.3Å; R485-E490 WeakPolarHBondContact CG-OE2 3.42Å; R485-E490 IonicContact NE-OE2 3.34Å; W486-E490 PolarHBondContact O-N 2.77Å; E490-S492 PolarHBondContact O-N 3.47Å
491	D	54.1	Low	69.1	Low	167 Å²	167	85 Å²	85	89%	0.893	44%	0.439	S	S	*	.			trans	-65	-14	-176.6	-71.5	-42.3	0	0	0	115.2
492	S	59.1	Low	69.6	Low	84 Å²	84	83.2 Å²	83.2	59%	0.587	43%	0.428	S	S	*	.			trans	-114.4	115.9	-172.3	61.1	0	0	0	0	112.8	E490	E490-S492 PolarHBondContact O-N 3.47Å
493	C	66.6	Low	70.6	Confident	24 Å²	24	80.7 Å²	80.7	16%	0.162	42%	0.42	C	S	.	.			trans	-63.1	163.5	154.6	-68.4	0	0	0	0	110.4	S495 I498 V507	C493-S495 PolarHBondContact O-N 2.82Å; C493-I498 HydrophobicContact CB-CD1 4.2Å; C493-V507 HydrophobicContact CB-CG1 4.39Å; C493-V507 VanDerWaalsContact SG-CG1 3.58Å
494	D	74.6	Confident	71.9	Confident	51 Å²	51	73.6 Å²	73.6	27%	0.273	39%	0.39	S	S	.	.			trans	-63	119.7	-177.6	-176.5	13.7	0	0	0	111.5	D496 A497 I498	D494-D496 PolarHBondContact O-N 2.96Å; D494-D496 PolarHBondContact OD1-N 2.82Å; D494-D496 VanDerWaalsContact OD1-N 3.16Å; D494-A497 HydrophobicContact CB-CB 4.02Å; D494-A497 WeakPolarHBondContact O-CB 3.32Å; D494-A497 PolarHBondContact O-N 3.39Å; D494-I498 WeakPolarHBondContact O-CG1 3.48Å; D494-I498 PolarHBondContact O-N 3.29Å
495	S	77.8	Confident	73.3	Confident	86 Å²	86	73.4 Å²	73.4	60%	0.601	39%	0.387	S	S	*	.	H	α-helix	trans	-52.4	-38.6	176.7	-58.3	0	0	0	0	111.9	C493 A497 I498 E499	C493-S495 PolarHBondContact O-N 2.82Å; S495-A497 VanDerWaalsContact C-N 3.33Å; S495-A497 PolarHBondContact O-N 2.79Å; S495-I498 PolarHBondContact O-N 2.86Å; S495-E499 PolarHBondContact O-N 3.05Å
496	D	80.1	Confident	74.5	Confident	74 Å²	74	70.4 Å²	70.4	40%	0.396	38%	0.376	S	S	.	.	H	α-helix	trans	-67.1	-33.7	179.3	-98.4	63.3	0	0	0	111.8	D494 R500	D494-D496 PolarHBondContact O-N 2.96Å; D494-D496 PolarHBondContact OD1-N 2.82Å; D494-D496 VanDerWaalsContact OD1-N 3.16Å; D496-R500 VanDerWaalsContact CA-NH1 3.35Å; D496-R500 WeakPolarHBondContact O-CB 3.45Å; D496-R500 WeakPolarHBondContact O-CD 3.26Å; D496-R500 VanDerWaalsContact O-CG 3.26Å; D496-R500 WeakPolarHBondContact O-CG 3.37Å; D496-R500 PolarHBondContact O-N 2.96Å; D496-R500 PolarHBondContact O-NH1 3.35Å; D496-R500 IonicContact OD2-CZ 2.74Å; D496-R500 IonicContact OD2-NH1 3.06Å; D496-R500 PolarHBondContact OD2-NH1 3.32Å; D496-R500 IonicContact OD2-NH2 3.26Å; D496-R500 PolarHBondContact OD2-NH2 2.9Å
497	A	82.8	Confident	75.6	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.008	35%	0.35	C	S	.	.	H	α-helix	trans	-78.1	-31.2	176.3	0	0	0	0	0	112.9	N466 D494 S495 M501 Y502 C503	N466-A497 HydrophobicContact CB-CB 4.28Å; D494-A497 HydrophobicContact CB-CB 4.02Å; D494-A497 WeakPolarHBondContact O-CB 3.32Å; D494-A497 PolarHBondContact O-N 3.39Å; S495-A497 VanDerWaalsContact C-N 3.33Å; S495-A497 PolarHBondContact O-N 2.79Å; A497-M501 PolarHBondContact O-N 3.32Å; A497-Y502 HydrophobicContact CB-CD2 4.15Å; A497-Y502 PolarHBondContact O-N 2.77Å; A497-C503 PolarHBondContact O-N 2.8Å
498	I	84.4	Confident	76.3	Confident	92 Å²	92	62.5 Å²	62.5	47%	0.472	36%	0.359	S	S	.	.	H	α-helix	trans	-68.1	-49	172	-62.5	165.5	0	0	0	110.3	C493 D494 S495 R500 M501 C503	C493-I498 HydrophobicContact CB-CD1 4.2Å; D494-I498 WeakPolarHBondContact O-CG1 3.48Å; D494-I498 PolarHBondContact O-N 3.29Å; S495-I498 PolarHBondContact O-N 2.86Å; I498-R500 VanDerWaalsContact C-N 3.28Å; I498-R500 PolarHBondContact O-N 2.95Å; I498-M501 PolarHBondContact O-N 3.32Å; I498-C503 HydrophobicContact CG1-CB 4.11Å
499	E	84.6	Confident	77.2	Confident	98 Å²	98	55.9 Å²	55.9	46%	0.458	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-37.3	179.6	-174.7	176.7	145.3	0	0	112.2	T273 S495 M501	T273-E499 PolarHBondContact OG1-OE1 2.79Å; S495-E499 PolarHBondContact O-N 3.05Å; E499-M501 VanDerWaalsContact C-N 3.29Å; E499-M501 PolarHBondContact O-N 2.98Å
500	R	85.2	Confident	77.8	Confident	19 Å²	19	59.1 Å²	59.1	7%	0.072	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.3	177.2	-69	169.4	-176.6	71	-15.4	114.5	L271 D496 I498 Y502	L271-R500 HydrophobicContact CD1-CG 3.66Å; L271-R500 VanDerWaalsContact CD1-CZ 3.49Å; L271-R500 HydrophobicContact CD2-CG 4.48Å; L271-R500 HydrophobicContact CG-CG 4.05Å; D496-R500 VanDerWaalsContact CA-NH1 3.35Å; D496-R500 WeakPolarHBondContact O-CB 3.45Å; D496-R500 WeakPolarHBondContact O-CD 3.26Å; D496-R500 VanDerWaalsContact O-CG 3.26Å; D496-R500 WeakPolarHBondContact O-CG 3.37Å; D496-R500 PolarHBondContact O-N 2.96Å; D496-R500 PolarHBondContact O-NH1 3.35Å; D496-R500 IonicContact OD2-CZ 2.74Å; D496-R500 IonicContact OD2-NH1 3.06Å; D496-R500 PolarHBondContact OD2-NH1 3.32Å; D496-R500 IonicContact OD2-NH2 3.26Å; D496-R500 PolarHBondContact OD2-NH2 2.9Å; I498-R500 VanDerWaalsContact C-N 3.28Å; I498-R500 PolarHBondContact O-N 2.95Å; R500-Y502 VanDerWaalsContact C-N 3.34Å; R500-Y502 HydrophobicContact CB-CD2 3.83Å; R500-Y502 HydrophobicContact CB-CE1 4.38Å; R500-Y502 HydrophobicContact CB-CE2 3.55Å; R500-Y502 HydrophobicContact CB-CG 4.37Å; R500-Y502 HydrophobicContact CG-CE2 4.06Å
501	M	87.9	Confident	78.4	Confident	27 Å²	27	58.4 Å²	58.4	13%	0.133	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	25.7	-176.3	-51.9	167.2	48.3	0	0	115.2	A497 I498 E499 W520 L535 V536 I543	A497-M501 PolarHBondContact O-N 3.32Å; I498-M501 PolarHBondContact O-N 3.32Å; E499-M501 VanDerWaalsContact C-N 3.29Å; E499-M501 PolarHBondContact O-N 2.98Å; M501-W520 PolarHBondContact O-NE1 2.77Å; M501-L535 HydrophobicContact CB-CB 4.27Å; M501-L535 HydrophobicContact CB-CD1 4.48Å; M501-L535 HydrophobicContact CE-CB 4.31Å; M501-L535 HydrophobicContact SD-CB 4.42Å; M501-V536 HydrophobicContact CG-CB 4.43Å; M501-V536 HydrophobicContact SD-CB 4.08Å; M501-I543 HydrophobicContact CE-CB 4.15Å; M501-I543 HydrophobicContact CE-CD1 3.82Å; M501-I543 HydrophobicContact CE-CG1 3.81Å
502	Y	90.2	Very high	79.4	Confident	6 Å²	6	58.8 Å²	58.8	2%	0.024	35%	0.347	C	S	.	.			trans	-72.1	-37	168.6	-53	-52	0	0	0	111.1	N466 P467 A497 R500 W520 S521 A524 V525 E528	N466-Y502 HydrophobicContact CB-CD2 3.42Å; N466-Y502 VanDerWaalsContact CB-CD2 3.42Å; N466-Y502 HydrophobicContact CB-CE2 3.92Å; N466-Y502 HydrophobicContact CB-CG 4.05Å; P467-Y502 HydrophobicContact CG-CE1 4.08Å; P467-Y502 HydrophobicContact CG-CE2 4.17Å; A497-Y502 HydrophobicContact CB-CD2 4.15Å; A497-Y502 PolarHBondContact O-N 2.77Å; R500-Y502 VanDerWaalsContact C-N 3.34Å; R500-Y502 HydrophobicContact CB-CD2 3.83Å; R500-Y502 HydrophobicContact CB-CE1 4.38Å; R500-Y502 HydrophobicContact CB-CE2 3.55Å; R500-Y502 HydrophobicContact CB-CG 4.37Å; R500-Y502 HydrophobicContact CG-CE2 4.06Å; Y502-W520 VanDerWaalsContact O-CD1 3.25Å; Y502-S521 WeakPolarHBondContact O-CA 3.31Å; Y502-S521 PolarHBondContact O-OG 3.21Å; Y502-S521 VanDerWaalsContact O-OG 3.1Å; Y502-A524 HydrophobicContact CD1-CB 3.88Å; Y502-V525 HydrophobicContact CD1-CG2 4.48Å; Y502-E528 PolarHBondContact OH-OE2 3.06Å
503	C	89.3	Confident	80.4	Confident	14 Å²	14	57.2 Å²	57.2	10%	0.095	33%	0.331	C	S	.	.	S	Bend	trans	-65.4	136.7	171.4	-61.3	0	0	0	0	110.4	A497 I498 V507 W520	A497-C503 PolarHBondContact O-N 2.8Å; I498-C503 HydrophobicContact CG1-CB 4.11Å; C503-V507 HydrophobicContact CB-CB 4.4Å; C503-V507 HydrophobicContact CB-CG1 4.43Å; C503-W520 PolarHBondContact O-NE1 2.84Å
504	A	89.7	Confident	81.3	Confident	3 Å²	3	59.3 Å²	59.3	3%	0.025	34%	0.343	C	S	.	.			trans	-68.8	152.3	178.4	0	0	0	0	0	111.9	E506 V507 C517 W520	A504-E506 VanDerWaalsContact CB-CD 3.5Å; A504-E506 VanDerWaalsContact CB-OE1 3.29Å; A504-E506 WeakPolarHBondContact CB-OE1 3.5Å; A504-E506 WeakPolarHBondContact CB-OE2 3.37Å; A504-E506 PolarHBondContact O-N 3.5Å; A504-E506 VanDerWaalsContact O-N 3.08Å; A504-V507 HydrophobicContact CB-CG2 4.08Å; A504-V507 WeakPolarHBondContact O-CB 3.42Å; A504-V507 PolarHBondContact O-N 3.46Å; A504-C517 HydrophobicContact CB-CB 3.69Å; A504-W520 VanDerWaalsContact CA-CD1 3.45Å; A504-W520 HydrophobicContact CB-CB 3.67Å; A504-W520 HydrophobicContact CB-CD2 4.31Å; A504-W520 HydrophobicContact CB-CG 3.67Å
505	P	87	Confident	82.1	Confident	51 Å²	51	61 Å²	61	33%	0.331	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.8	-174.8	26.5	-35.9	0	0	0	114.6	W520 F569	P505-W520 HydrophobicContact CG-CE3 4.45Å; P505-W520 HydrophobicContact CG-CH2 4.2Å; P505-W520 HydrophobicContact CG-CZ3 4.14Å; P505-F569 HydrophobicContact CB-CD2 3.81Å; P505-F569 HydrophobicContact CB-CE2 3.45Å; P505-F569 VanDerWaalsContact CB-CE2 3.45Å; P505-F569 HydrophobicContact CB-CZ 4.03Å; P505-F569 HydrophobicContact CG-CD2 3.71Å; P505-F569 HydrophobicContact CG-CE2 3.89Å; P505-F569 HydrophobicContact CG-CG 4.24Å
506	E	86.3	Confident	82.8	Confident	11 Å²	11	57.1 Å²	57.1	5%	0.051	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-13.2	171.8	70.4	-81.8	-174.3	0	0	115	A504 G508 A509 C517 P571 R574	A504-E506 VanDerWaalsContact CB-CD 3.5Å; A504-E506 VanDerWaalsContact CB-OE1 3.29Å; A504-E506 WeakPolarHBondContact CB-OE1 3.5Å; A504-E506 WeakPolarHBondContact CB-OE2 3.37Å; A504-E506 PolarHBondContact O-N 3.5Å; A504-E506 VanDerWaalsContact O-N 3.08Å; E506-G508 PolarHBondContact O-N 2.81Å; E506-A509 WeakPolarHBondContact O-CB 3.23Å; E506-A509 PolarHBondContact O-N 3.45Å; E506-A509 VanDerWaalsContact O-N 3.12Å; E506-C517 WeakPolarHBondContact OE1-CA 3.45Å; E506-C517 WeakPolarHBondContact OE1-CB 3.49Å; E506-P571 HydrophobicContact CG-CG 4.42Å; E506-R574 IonicContact OE1-CZ 3.96Å; E506-R574 IonicContact OE1-NH1 2.7Å; E506-R574 PolarHBondContact OE1-NH1 3.48Å; E506-R574 IonicContact OE1-NH2 2.79Å; E506-R574 IonicContact OE2-CZ 2.82Å; E506-R574 IonicContact OE2-NH1 2.72Å; E506-R574 PolarHBondContact OE2-NH1 3.42Å; E506-R574 IonicContact OE2-NH2 3.21Å; E506-R574 PolarHBondContact OE2-NH2 3.05Å
507	V	82.1	Confident	83.3	Confident	24 Å²	24	53.6 Å²	53.6	15%	0.145	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	128.8	179.3	174.8	0	0	0	0	109.7	C493 C503 A504 A509 C517	C493-V507 HydrophobicContact CB-CG1 4.39Å; C493-V507 VanDerWaalsContact SG-CG1 3.58Å; C503-V507 HydrophobicContact CB-CB 4.4Å; C503-V507 HydrophobicContact CB-CG1 4.43Å; A504-V507 HydrophobicContact CB-CG2 4.08Å; A504-V507 WeakPolarHBondContact O-CB 3.42Å; A504-V507 PolarHBondContact O-N 3.46Å; V507-A509 PolarHBondContact O-N 3.1Å; V507-C517 HydrophobicContact CG2-CB 3.72Å
508	G	71.5	Confident	83.8	Confident	72 Å²	72	53.5 Å²	53.5	74%	0.742	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	10.7	-171.3	0	0	0	0	0	115	E506 E513	E506-G508 PolarHBondContact O-N 2.81Å; G508-E513 PolarHBondContact N-OE1 3.16Å
509	A	74.9	Confident	84.3	Confident	49 Å²	49	49.2 Å²	49.2	41%	0.405	28%	0.28	S	S	.	.	S	Bend	trans	-79.2	178.9	164.4	0	0	0	0	0	111.3	E506 V507 T511	E506-A509 WeakPolarHBondContact O-CB 3.23Å; E506-A509 PolarHBondContact O-N 3.45Å; E506-A509 VanDerWaalsContact O-N 3.12Å; V507-A509 PolarHBondContact O-N 3.1Å; A509-T511 PolarHBondContact O-N 3.03Å
510	I	68.3	Low	84.7	Confident	184 Å²	184	44.8 Å²	44.8	94%	0.944	26%	0.26	S	S	*	.	S	Bend	trans	-81.1	-5.3	173	-53.2	170.1	0	0	0	111.1
511	T	71	Confident	85.1	Confident	90 Å²	90	44 Å²	44	55%	0.552	26%	0.257	S	S	*	.	S	Bend	trans	-78.3	149.1	-179.6	-47.2	0	0	0	0	111.1	A509 E513	A509-T511 PolarHBondContact O-N 3.03Å; T511-E513 PolarHBondContact O-N 3.29Å
512	E	73.4	Confident	85.5	Confident	174 Å²	174	42.7 Å²	42.7	81%	0.813	25%	0.25	S	S	*	.	P	Polyproline II helix	trans	-62.5	124.5	171	-66	179.1	174	0	0	111
513	E	79.9	Confident	85.7	Confident	52 Å²	52	42.4 Å²	42.4	24%	0.243	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-78.5	122.7	-179	-63.5	170	134.8	0	0	110.3	R463 G508 T511	R463-E513 IonicContact CZ-OE2 2.77Å; R463-E513 IonicContact NE-OE2 3.73Å; R463-E513 IonicContact NH1-OE2 3.99Å; R463-E513 PolarHBondContact NH1-OE2 3.37Å; R463-E513 IonicContact NH2-OE2 3.73Å; R463-E513 PolarHBondContact NH2-OE2 3.46Å; G508-E513 PolarHBondContact N-OE1 3.16Å; T511-E513 PolarHBondContact O-N 3.29Å
514	T	87.3	Confident	85.9	Confident	68 Å²	68	41.8 Å²	41.8	42%	0.417	25%	0.245	S	C	.	.			trans	-113.1	166	-174.9	59.5	0	0	0	0	111.9	A516 C517	T514-A516 PolarHBondContact O-N 2.79Å; T514-C517 PolarHBondContact O-N 3.36Å; T514-C517 PolarHBondContact O-SG 3.38Å
515	E	90.1	Very high	86.1	Confident	87 Å²	87	41.9 Å²	41.9	41%	0.407	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-25	174.4	-61.9	171.5	-176	0	0	113.5	H456 V461 C517 D518	H456-E515 HydrophobicContact CB-CG 4.16Å; V461-E515 HydrophobicContact CG2-CG 4.3Å; E515-C517 PolarHBondContact O-N 2.98Å; E515-C517 VanDerWaalsContact O-N 3.15Å; E515-D518 PolarHBondContact O-N 2.73Å; E515-D518 VanDerWaalsContact O-N 3.15Å
516	A	92.2	Very high	86.4	Confident	3 Å²	3	39.5 Å²	39.5	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-54.9	-28.2	173.8	0	0	0	0	0	114	T514 D518 W519 W520 P571 R574 A577	T514-A516 PolarHBondContact O-N 2.79Å; A516-D518 VanDerWaalsContact C-N 3.3Å; A516-D518 PolarHBondContact O-N 2.97Å; A516-W519 PolarHBondContact O-N 2.78Å; A516-W520 PolarHBondContact O-N 2.7Å; A516-P571 HydrophobicContact CB-CB 3.84Å; A516-R574 VanDerWaalsContact C-NH1 3.26Å; A516-R574 WeakPolarHBondContact O-CD 3.29Å; A516-R574 PolarHBondContact O-NH1 2.72Å; A516-A577 HydrophobicContact CB-CB 4.07Å
517	C	91.5	Very high	86.7	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68	-30.7	-179.8	73.4	0	0	0	0	112.5	V461 A504 E506 V507 T514 E515 W520 S521	V461-C517 VanDerWaalsContact CG1-SG 3.57Å; A504-C517 HydrophobicContact CB-CB 3.69Å; E506-C517 WeakPolarHBondContact OE1-CA 3.45Å; E506-C517 WeakPolarHBondContact OE1-CB 3.49Å; V507-C517 HydrophobicContact CG2-CB 3.72Å; T514-C517 PolarHBondContact O-N 3.36Å; T514-C517 PolarHBondContact O-SG 3.38Å; E515-C517 PolarHBondContact O-N 2.98Å; E515-C517 VanDerWaalsContact O-N 3.15Å; C517-W520 PolarHBondContact O-N 3.48Å; C517-S521 PolarHBondContact O-N 3.36Å; C517-S521 VanDerWaalsContact O-N 3.09Å; C517-S521 PolarHBondContact O-OG 3.48Å
518	D	92.3	Very high	87.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-72.7	-32.3	175.4	-66	-24.8	0	0	0	111.6	L452 H456 V461 C462 R463 E515 A516 S521 L522	L452-D518 HydrophobicContact CD1-CB 4.35Å; L452-D518 HydrophobicContact CD2-CB 4.02Å; H456-D518 IonicContact CD2-OD2 3.69Å; H456-D518 IonicContact CE1-OD2 2.71Å; H456-D518 IonicContact NE2-OD2 2.95Å; H456-D518 PolarHBondContact NE2-OD2 3.42Å; V461-D518 WeakPolarHBondContact CG1-OD2 3.49Å; C462-D518 VanDerWaalsContact CB-OD1 3.3Å; C462-D518 WeakPolarHBondContact CB-OD1 3.42Å; C462-D518 WeakPolarHBondContact CB-OD2 3.44Å; C462-D518 PolarHBondContact N-OD1 3.16Å; C462-D518 PolarHBondContact N-OD2 3.2Å; R463-D518 PolarHBondContact N-OD1 2.97Å; E515-D518 PolarHBondContact O-N 2.73Å; E515-D518 VanDerWaalsContact O-N 3.15Å; A516-D518 VanDerWaalsContact C-N 3.3Å; A516-D518 PolarHBondContact O-N 2.97Å; D518-S521 WeakPolarHBondContact O-CB 3.15Å; D518-S521 PolarHBondContact O-N 3.32Å; D518-L522 WeakPolarHBondContact O-CB 3.35Å; D518-L522 PolarHBondContact O-N 3.19Å
519	W	95	Very high	88	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-69.2	-33	174.8	-56	138.2	0	0	0	112.6	V449 L452 H456 A516 L522 G523 L566 G576 V582 I585	V449-W519 HydrophobicContact CG2-CZ3 4.29Å; L452-W519 HydrophobicContact CB-CH2 3.72Å; L452-W519 HydrophobicContact CB-CZ3 3.74Å; L452-W519 HydrophobicContact CD1-CE3 3.96Å; L452-W519 HydrophobicContact CD1-CH2 4.39Å; L452-W519 HydrophobicContact CD1-CZ3 3.57Å; L452-W519 HydrophobicContact CG-CZ3 4.33Å; H456-W519 AromaticContact CE1-CE2 3.77Å; H456-W519 AromaticContact CE1-CH2 3.92Å; H456-W519 AromaticContact CE1-CZ2 3.47Å; H456-W519 VanDerWaalsContact CE1-CZ2 3.47Å; H456-W519 WeakPolarHBondContact CE1-CZ2 3.47Å; H456-W519 AromaticContact ND1-CE2 3.95Å; H456-W519 AromaticContact ND1-CH2 3.87Å; H456-W519 AromaticContact ND1-CZ2 3.31Å; H456-W519 VanDerWaalsContact ND1-CZ2 3.31Å; H456-W519 WeakPolarHBondContact ND1-CZ2 3.48Å; A516-W519 PolarHBondContact O-N 2.78Å; W519-L522 HydrophobicContact CE3-CD2 3.91Å; W519-L522 HydrophobicContact CZ3-CD2 4.22Å; W519-G523 PolarHBondContact O-N 3.32Å; W519-L566 HydrophobicContact CB-CD2 3.99Å; W519-G576 PolarHBondContact NE1-O 3.03Å; W519-V582 HydrophobicContact CH2-CB 4.45Å; W519-V582 HydrophobicContact CH2-CG2 3.77Å; W519-V582 HydrophobicContact CZ2-CB 4.15Å; W519-V582 HydrophobicContact CZ2-CG2 3.97Å; W519-I585 HydrophobicContact CB-CD1 4.43Å; W519-I585 HydrophobicContact CD2-CD1 3.33Å; W519-I585 HydrophobicContact CE3-CD1 3.44Å; W519-I585 VanDerWaalsContact CE3-CD1 3.44Å; W519-I585 HydrophobicContact CG-CD1 3.77Å; W519-I585 HydrophobicContact CH2-CD1 4.21Å; W519-I585 HydrophobicContact CZ2-CD1 4.1Å; W519-I585 HydrophobicContact CZ3-CD1 3.88Å
520	W	94.6	Very high	88.7	Confident	5 Å²	5	35.2 Å²	35.2	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-64.5	-49.3	167.6	172.9	-76.3	0	0	0	111.1	M501 Y502 C503 A504 P505 A516 C517 L522 G523 A524 I543 L567	M501-W520 PolarHBondContact O-NE1 2.77Å; Y502-W520 VanDerWaalsContact O-CD1 3.25Å; C503-W520 PolarHBondContact O-NE1 2.84Å; A504-W520 VanDerWaalsContact CA-CD1 3.45Å; A504-W520 HydrophobicContact CB-CB 3.67Å; A504-W520 HydrophobicContact CB-CD2 4.31Å; A504-W520 HydrophobicContact CB-CG 3.67Å; P505-W520 HydrophobicContact CG-CE3 4.45Å; P505-W520 HydrophobicContact CG-CH2 4.2Å; P505-W520 HydrophobicContact CG-CZ3 4.14Å; A516-W520 PolarHBondContact O-N 2.7Å; C517-W520 PolarHBondContact O-N 3.48Å; W520-L522 VanDerWaalsContact C-N 3.28Å; W520-L522 PolarHBondContact O-N 3.43Å; W520-G523 CarbonylContact O-C 3.5Å; W520-G523 WeakPolarHBondContact O-CA 3.24Å; W520-G523 PolarHBondContact O-N 3.14Å; W520-A524 PolarHBondContact O-N 3.3Å; W520-I543 HydrophobicContact CH2-CB 3.81Å; W520-I543 HydrophobicContact CH2-CD1 4.01Å; W520-I543 HydrophobicContact CH2-CG2 3.67Å; W520-I543 HydrophobicContact CZ2-CB 4.45Å; W520-I543 HydrophobicContact CZ2-CD1 4.16Å; W520-I543 HydrophobicContact CZ3-CG2 4.24Å; W520-L567 HydrophobicContact CD2-CD2 3.63Å; W520-L567 HydrophobicContact CE3-CB 4.41Å; W520-L567 HydrophobicContact CE3-CD2 3.94Å; W520-L567 HydrophobicContact CG-CD2 3.97Å; W520-L567 HydrophobicContact CZ2-CD2 4.25Å; W520-L567 HydrophobicContact CZ3-CB 4.34Å; W520-L567 HydrophobicContact CZ3-CD2 4.38Å; W520-L567 WeakPolarHBondContact CZ3-O 3.34Å; W520-L567 WeakPolarHBondContact O-CD2 3.47Å
521	S	93.8	Very high	89.6	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.014	15%	0.145	C	C	.	.	H	α-helix	trans	-56.3	-42.6	179.3	-52.3	0	0	0	0	111.9	L465 Y502 C517 D518 A524 V525	L465-S521 WeakPolarHBondContact O-CB 3.22Å; Y502-S521 WeakPolarHBondContact O-CA 3.31Å; Y502-S521 PolarHBondContact O-OG 3.21Å; Y502-S521 VanDerWaalsContact O-OG 3.1Å; C517-S521 PolarHBondContact O-N 3.36Å; C517-S521 VanDerWaalsContact O-N 3.09Å; C517-S521 PolarHBondContact O-OG 3.48Å; D518-S521 WeakPolarHBondContact O-CB 3.15Å; D518-S521 PolarHBondContact O-N 3.32Å; S521-A524 PolarHBondContact O-N 3.08Å; S521-V525 WeakPolarHBondContact O-CG2 3.1Å; S521-V525 PolarHBondContact O-N 3.47Å
522	L	95	Very high	90.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.1	-49.6	170.6	174.7	67.5	0	0	0	111.2	M448 V449 L452 L465 D518 W519 W520 A524 V525 L526 L566	M448-L522 HydrophobicContact CB-CD1 3.89Å; M448-L522 HydrophobicContact CE-CD1 3.63Å; M448-L522 HydrophobicContact SD-CD1 4.04Å; V449-L522 HydrophobicContact CG2-CD2 3.56Å; L452-L522 HydrophobicContact CD1-CB 4.48Å; L465-L522 HydrophobicContact CD2-CB 4.28Å; D518-L522 WeakPolarHBondContact O-CB 3.35Å; D518-L522 PolarHBondContact O-N 3.19Å; W519-L522 HydrophobicContact CE3-CD2 3.91Å; W519-L522 HydrophobicContact CZ3-CD2 4.22Å; W520-L522 VanDerWaalsContact C-N 3.28Å; W520-L522 PolarHBondContact O-N 3.43Å; L522-A524 VanDerWaalsContact C-N 3.26Å; L522-A524 PolarHBondContact O-N 2.88Å; L522-V525 PolarHBondContact O-N 3.38Å; L522-L526 HydrophobicContact CD1-CD1 3.9Å; L522-L526 HydrophobicContact CD1-CG 4.06Å; L522-L526 HydrophobicContact CG-CD1 3.91Å; L522-L526 HydrophobicContact CG-CG 4.39Å; L522-L526 WeakPolarHBondContact O-CB 3.36Å; L522-L526 VanDerWaalsContact O-CG 3.23Å; L522-L526 WeakPolarHBondContact O-CG 3.43Å; L522-L526 PolarHBondContact O-N 3.2Å; L522-L566 HydrophobicContact CD2-CD1 4.19Å; L522-L566 HydrophobicContact CG-CD1 4.24Å
523	G	94.9	Very high	90.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.6	-36.7	176.8	0	0	0	0	0	113.7	W519 W520 F527	W519-G523 PolarHBondContact O-N 3.32Å; W520-G523 CarbonylContact O-C 3.5Å; W520-G523 WeakPolarHBondContact O-CA 3.24Å; W520-G523 PolarHBondContact O-N 3.14Å; G523-F527 WeakPolarHBondContact O-CB 3.34Å; G523-F527 PolarHBondContact O-N 3.15Å
524	A	93.7	Very high	91.3	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-70.8	-46	178.5	0	0	0	0	0	112.2	Y502 W520 S521 L522 L526 F527 E528 L535 L567	Y502-A524 HydrophobicContact CD1-CB 3.88Å; W520-A524 PolarHBondContact O-N 3.3Å; S521-A524 PolarHBondContact O-N 3.08Å; L522-A524 VanDerWaalsContact C-N 3.26Å; L522-A524 PolarHBondContact O-N 2.88Å; A524-L526 PolarHBondContact O-N 3.02Å; A524-F527 PolarHBondContact O-N 3.15Å; A524-E528 PolarHBondContact O-N 2.95Å; A524-E528 VanDerWaalsContact O-N 3.16Å; A524-L535 HydrophobicContact CB-CD1 3.5Å; A524-L535 VanDerWaalsContact CB-CD1 3.5Å; A524-L535 HydrophobicContact CB-CG 4.34Å; A524-L567 HydrophobicContact CB-CD2 4.28Å
525	V	93.4	Very high	91.3	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.024	10%	0.095	C	C	.	.	H	α-helix	trans	-61.8	-42.5	173.7	172.3	0	0	0	0	111.2	M448 P467 I470 Y502 S521 L522 E528 L529	M448-V525 HydrophobicContact CE-CB 4.38Å; M448-V525 HydrophobicContact CE-CG1 4.11Å; P467-V525 HydrophobicContact CG-CG2 4.23Å; I470-V525 HydrophobicContact CD1-CG1 3.78Å; I470-V525 HydrophobicContact CD1-CG2 4.08Å; Y502-V525 HydrophobicContact CD1-CG2 4.48Å; S521-V525 WeakPolarHBondContact O-CG2 3.1Å; S521-V525 PolarHBondContact O-N 3.47Å; L522-V525 PolarHBondContact O-N 3.38Å; V525-E528 PolarHBondContact O-N 3.38Å; V525-L529 HydrophobicContact CG1-CD1 3.9Å; V525-L529 HydrophobicContact CG1-CG 4.33Å; V525-L529 WeakPolarHBondContact O-CG 3.42Å; V525-L529 PolarHBondContact O-N 3.34Å
526	L	93.5	Very high	91.1	Very high	1 Å²	1	14 Å²	14	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-66.5	-37.7	178.2	-67.5	177.8	0	0	0	112.5	I441 A445 L522 A524 E528 L530 L562 I563 L566	I441-L526 HydrophobicContact CG2-CD2 3.78Å; A445-L526 HydrophobicContact CB-CD1 4.03Å; A445-L526 HydrophobicContact CB-CD2 3.61Å; A445-L526 HydrophobicContact CB-CG 4.47Å; L522-L526 HydrophobicContact CD1-CD1 3.9Å; L522-L526 HydrophobicContact CD1-CG 4.06Å; L522-L526 HydrophobicContact CG-CD1 3.91Å; L522-L526 HydrophobicContact CG-CG 4.39Å; L522-L526 WeakPolarHBondContact O-CB 3.36Å; L522-L526 VanDerWaalsContact O-CG 3.23Å; L522-L526 WeakPolarHBondContact O-CG 3.43Å; L522-L526 PolarHBondContact O-N 3.2Å; A524-L526 PolarHBondContact O-N 3.02Å; L526-E528 VanDerWaalsContact C-N 3.31Å; L526-E528 PolarHBondContact O-N 2.92Å; L526-L530 VanDerWaalsContact O-CB 3.32Å; L526-L530 WeakPolarHBondContact O-CB 3.36Å; L526-L530 WeakPolarHBondContact O-CD1 3.46Å; L526-L530 WeakPolarHBondContact O-CG 3.42Å; L526-L530 PolarHBondContact O-N 2.94Å; L526-L562 HydrophobicContact CD1-CD2 4.2Å; L526-I563 HydrophobicContact CB-CG1 4.37Å; L526-L566 HydrophobicContact CD1-CD1 4.22Å
527	F	92.3	Very high	90.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58	-44.8	171.9	177.9	-85.7	0	0	0	111.3	G523 A524 L530 T531 L535 C538 M551 I563	G523-F527 WeakPolarHBondContact O-CB 3.34Å; G523-F527 PolarHBondContact O-N 3.15Å; A524-F527 PolarHBondContact O-N 3.15Å; F527-L530 PolarHBondContact O-N 3.21Å; F527-T531 HydrophobicContact CD1-CG2 4.48Å; F527-T531 HydrophobicContact CD2-CG2 4.16Å; F527-T531 HydrophobicContact CE1-CG2 4.32Å; F527-T531 WeakPolarHBondContact CE1-OG1 3.28Å; F527-T531 HydrophobicContact CE2-CG2 4Å; F527-T531 HydrophobicContact CG-CG2 4.42Å; F527-T531 HydrophobicContact CZ-CG2 4.08Å; F527-T531 WeakPolarHBondContact O-CB 3.34Å; F527-T531 VanDerWaalsContact O-CG2 3.28Å; F527-T531 WeakPolarHBondContact O-CG2 3.44Å; F527-T531 PolarHBondContact O-N 2.75Å; F527-T531 PolarHBondContact O-OG1 2.95Å; F527-L535 HydrophobicContact CB-CD2 3.98Å; F527-L535 HydrophobicContact CD1-CD2 3.5Å; F527-L535 VanDerWaalsContact CD1-CD2 3.5Å; F527-L535 HydrophobicContact CD1-CG 4.04Å; F527-L535 HydrophobicContact CD2-CD2 3.88Å; F527-L535 HydrophobicContact CE1-CD2 3.88Å; F527-L535 HydrophobicContact CE2-CD2 4.22Å; F527-L535 HydrophobicContact CG-CD2 3.5Å; F527-L535 VanDerWaalsContact CG-CD2 3.5Å; F527-L535 HydrophobicContact CG-CG 4.32Å; F527-L535 HydrophobicContact CZ-CD2 4.22Å; F527-C538 HydrophobicContact CE1-CB 4.18Å; F527-C538 HydrophobicContact CZ-CB 3.77Å; F527-M551 HydrophobicContact CD2-CG 4.04Å; F527-M551 HydrophobicContact CE2-CG 3.77Å; F527-I563 HydrophobicContact CB-CD1 4.38Å; F527-I563 HydrophobicContact CB-CG2 4.25Å; F527-I563 HydrophobicContact CD2-CG2 4.21Å
528	E	91.2	Very high	90.6	Very high	19 Å²	19	19.9 Å²	19.9	9%	0.089	12%	0.117	C	C	.	.	H	α-helix	trans	-67.9	-46.1	-179.8	-175.5	173.5	-168.3	0	0	112.6	L269 Y502 A524 V525 L526 L530 T531 G532 K533	L269-E528 HydrophobicContact CD1-CG 4.14Å; L269-E528 WeakPolarHBondContact CD1-OE1 3.39Å; Y502-E528 PolarHBondContact OH-OE2 3.06Å; A524-E528 PolarHBondContact O-N 2.95Å; A524-E528 VanDerWaalsContact O-N 3.16Å; V525-E528 PolarHBondContact O-N 3.38Å; L526-E528 VanDerWaalsContact C-N 3.31Å; L526-E528 PolarHBondContact O-N 2.92Å; E528-L530 VanDerWaalsContact C-N 3.26Å; E528-L530 PolarHBondContact O-N 3.34Å; E528-T531 PolarHBondContact O-N 3.33Å; E528-G532 WeakPolarHBondContact O-CA 3.46Å; E528-G532 PolarHBondContact O-N 3.38Å; E528-K533 VanDerWaalsContact CA-O 3.26Å; E528-K533 WeakPolarHBondContact CA-O 3.3Å
529	L	90.4	Very high	90.3	Very high	32 Å²	32	20.5 Å²	20.5	17%	0.168	12%	0.12	C	C	.	.	H	α-helix	trans	-59.5	-35.6	176.8	-69.6	173.4	0	0	0	112.7	I436 I441 V525	I436-L529 HydrophobicContact CD1-CD2 3.95Å; I441-L529 HydrophobicContact CD1-CB 4.06Å; I441-L529 VanDerWaalsContact CD1-O 3.29Å; I441-L529 WeakPolarHBondContact CD1-O 3.24Å; I441-L529 HydrophobicContact CG1-CB 4.18Å; I441-L529 HydrophobicContact CG2-CB 3.96Å; I441-L529 HydrophobicContact CG2-CD1 4.15Å; V525-L529 HydrophobicContact CG1-CD1 3.9Å; V525-L529 HydrophobicContact CG1-CG 4.33Å; V525-L529 WeakPolarHBondContact O-CG 3.42Å; V525-L529 PolarHBondContact O-N 3.34Å
530	L	89.8	Confident	89.8	Confident	16 Å²	16	25.8 Å²	25.8	8%	0.084	15%	0.154	C	C	.	.	H	α-helix	trans	-86.4	-25.2	-178.2	-73.6	162.2	0	0	0	114.2	E438 I441 L526 F527 E528 V555 A559 I563	E438-L530 HydrophobicContact CB-CD2 4.34Å; E438-L530 HydrophobicContact CG-CD2 3.88Å; I441-L530 HydrophobicContact CB-CD2 4.5Å; I441-L530 HydrophobicContact CD1-CD2 3.54Å; I441-L530 HydrophobicContact CD1-CG 3.89Å; I441-L530 HydrophobicContact CG2-CD2 4.39Å; I441-L530 HydrophobicContact CG2-CG 4.16Å; L526-L530 VanDerWaalsContact O-CB 3.32Å; L526-L530 WeakPolarHBondContact O-CB 3.36Å; L526-L530 WeakPolarHBondContact O-CD1 3.46Å; L526-L530 WeakPolarHBondContact O-CG 3.42Å; L526-L530 PolarHBondContact O-N 2.94Å; F527-L530 PolarHBondContact O-N 3.21Å; E528-L530 VanDerWaalsContact C-N 3.26Å; E528-L530 PolarHBondContact O-N 3.34Å; L530-V555 HydrophobicContact CB-CG1 4.22Å; L530-V555 HydrophobicContact CB-CG2 4.16Å; L530-V555 HydrophobicContact CD1-CG1 4.29Å; L530-V555 HydrophobicContact CD2-CG1 4.29Å; L530-V555 WeakPolarHBondContact O-CG2 3.37Å; L530-A559 HydrophobicContact CD1-CB 3.84Å; L530-I563 HydrophobicContact CD1-CD1 3.66Å
531	T	86.8	Confident	89.3	Confident	27 Å²	27	30.4 Å²	30.4	17%	0.166	19%	0.193	C	C	.	.	H	α-helix	trans	-108.9	-17.1	-176.5	68.9	0	0	0	0	114.4	F527 E528 K533 P552 V555	F527-T531 HydrophobicContact CD1-CG2 4.48Å; F527-T531 HydrophobicContact CD2-CG2 4.16Å; F527-T531 HydrophobicContact CE1-CG2 4.32Å; F527-T531 WeakPolarHBondContact CE1-OG1 3.28Å; F527-T531 HydrophobicContact CE2-CG2 4Å; F527-T531 HydrophobicContact CG-CG2 4.42Å; F527-T531 HydrophobicContact CZ-CG2 4.08Å; F527-T531 WeakPolarHBondContact O-CB 3.34Å; F527-T531 VanDerWaalsContact O-CG2 3.28Å; F527-T531 WeakPolarHBondContact O-CG2 3.44Å; F527-T531 PolarHBondContact O-N 2.75Å; F527-T531 PolarHBondContact O-OG1 2.95Å; E528-T531 PolarHBondContact O-N 3.33Å; T531-K533 VanDerWaalsContact C-N 3.32Å; T531-K533 PolarHBondContact OG1-N 3.22Å; T531-K533 PolarHBondContact OG1-O 2.97Å; T531-P552 VanDerWaalsContact CG2-CD 3.48Å; T531-P552 HydrophobicContact CG2-CG 4.04Å; T531-V555 HydrophobicContact CG2-CG2 4.4Å
532	G	85.6	Confident	88.8	Confident	59 Å²	59	31.6 Å²	31.6	61%	0.608	21%	0.206	S	C	*	.	S	Bend	trans	65.9	33.1	-172.7	0	0	0	0	0	113	E528	E528-G532 WeakPolarHBondContact O-CA 3.46Å; E528-G532 PolarHBondContact O-N 3.38Å
533	K	85.9	Confident	88.4	Confident	77 Å²	77	32.3 Å²	32.3	34%	0.335	21%	0.21	S	C	.	.	S	Bend	trans	-152.3	145.1	-179.2	-70.5	-168.8	168	-159.7	0	111.9	E528 T531	E528-K533 VanDerWaalsContact CA-O 3.26Å; E528-K533 WeakPolarHBondContact CA-O 3.3Å; T531-K533 VanDerWaalsContact C-N 3.32Å; T531-K533 PolarHBondContact OG1-N 3.22Å; T531-K533 PolarHBondContact OG1-O 2.97Å
534	T	87.2	Confident	87.9	Confident	5 Å²	5	35.9 Å²	35.9	3%	0.031	23%	0.229	C	C	.	.			trans	-67.5	159.3	170.7	59.7	0	0	0	0	112.3	L271 V536 E537	L271-T534 HydrophobicContact CD2-CG2 4.13Å; T534-V536 VanDerWaalsContact C-N 3.32Å; T534-V536 PolarHBondContact O-N 3.44Å; T534-V536 WeakPolarHBondContact OG1-CG1 3.34Å; T534-E537 PolarHBondContact N-OE1 3.09Å; T534-E537 PolarHBondContact O-N 3.2Å; T534-E537 VanDerWaalsContact OG1-CG 3.29Å; T534-E537 WeakPolarHBondContact OG1-CG 3.42Å; T534-E537 PolarHBondContact OG1-N 3.27Å; T534-E537 PolarHBondContact OG1-OE1 3.24Å
535	L	87.3	Confident	87.4	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-42.1	172.7	-77.6	179	0	0	0	111.8	M501 A524 F527 E537 C538 H539 I543 L567	M501-L535 HydrophobicContact CB-CB 4.27Å; M501-L535 HydrophobicContact CB-CD1 4.48Å; M501-L535 HydrophobicContact CE-CB 4.31Å; M501-L535 HydrophobicContact SD-CB 4.42Å; A524-L535 HydrophobicContact CB-CD1 3.5Å; A524-L535 VanDerWaalsContact CB-CD1 3.5Å; A524-L535 HydrophobicContact CB-CG 4.34Å; F527-L535 HydrophobicContact CB-CD2 3.98Å; F527-L535 HydrophobicContact CD1-CD2 3.5Å; F527-L535 VanDerWaalsContact CD1-CD2 3.5Å; F527-L535 HydrophobicContact CD1-CG 4.04Å; F527-L535 HydrophobicContact CD2-CD2 3.88Å; F527-L535 HydrophobicContact CE1-CD2 3.88Å; F527-L535 HydrophobicContact CE2-CD2 4.22Å; F527-L535 HydrophobicContact CG-CD2 3.5Å; F527-L535 VanDerWaalsContact CG-CD2 3.5Å; F527-L535 HydrophobicContact CG-CG 4.32Å; F527-L535 HydrophobicContact CZ-CD2 4.22Å; L535-E537 VanDerWaalsContact C-N 3.28Å; L535-E537 PolarHBondContact O-N 3.45Å; L535-C538 PolarHBondContact O-N 2.85Å; L535-H539 PolarHBondContact O-N 2.77Å; L535-I543 HydrophobicContact CD1-CD1 4.12Å; L535-I543 HydrophobicContact CD2-CD1 4.19Å; L535-L567 HydrophobicContact CD1-CD1 3.83Å; L535-L567 HydrophobicContact CD1-CD2 4.05Å; L535-L567 HydrophobicContact CD2-CD1 3.7Å; L535-L567 HydrophobicContact CG-CD1 4.37Å
536	V	87.9	Confident	86.6	Confident	39 Å²	39	47.3 Å²	47.3	24%	0.236	29%	0.287	C	S	.	.	H	α-helix	trans	-62.1	-31.1	-179.6	64.3	0	0	0	0	113	M501 T534 H539 P540	M501-V536 HydrophobicContact CG-CB 4.43Å; M501-V536 HydrophobicContact SD-CB 4.08Å; T534-V536 VanDerWaalsContact C-N 3.32Å; T534-V536 PolarHBondContact O-N 3.44Å; T534-V536 WeakPolarHBondContact OG1-CG1 3.34Å; V536-H539 CarbonylContact O-C 3.21Å; V536-P540 VanDerWaalsContact O-CA 3.26Å; V536-P540 WeakPolarHBondContact O-CA 3.39Å; V536-P540 WeakPolarHBondContact O-CB 3.3Å; V536-P540 WeakPolarHBondContact O-CD 3.49Å; V536-P540 VanDerWaalsContact O-N 3.12Å
537	E	85.9	Confident	86.2	Confident	100 Å²	100	49 Å²	49	47%	0.467	30%	0.297	S	S	.	.	H	α-helix	trans	-67.3	-35.3	171.9	-80.1	168.9	-102.5	0	0	114	T534 L535	T534-E537 PolarHBondContact N-OE1 3.09Å; T534-E537 PolarHBondContact O-N 3.2Å; T534-E537 VanDerWaalsContact OG1-CG 3.29Å; T534-E537 WeakPolarHBondContact OG1-CG 3.42Å; T534-E537 PolarHBondContact OG1-N 3.27Å; T534-E537 PolarHBondContact OG1-OE1 3.24Å; L535-E537 VanDerWaalsContact C-N 3.28Å; L535-E537 PolarHBondContact O-N 3.45Å
538	C	85.5	Confident	85.7	Confident	27 Å²	27	54.1 Å²	54.1	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-89.4	-21.7	-179.8	-86	0	0	0	0	113.1	F527 L535 N550	F527-C538 HydrophobicContact CE1-CB 4.18Å; F527-C538 HydrophobicContact CZ-CB 3.77Å; L535-C538 PolarHBondContact O-N 2.85Å; C538-N550 PolarHBondContact O-ND2 2.88Å
539	H	87.2	Confident	85.3	Confident	12 Å²	12	54.4 Å²	54.4	6%	0.056	33%	0.331	C	S	.	.			trans	-140.9	63.1	-176.4	-62.2	98.6	0	0	0	111.9	L535 V536 A541 G542 I543 T547 T548 N550	L535-H539 PolarHBondContact O-N 2.77Å; V536-H539 CarbonylContact O-C 3.21Å; H539-A541 PolarHBondContact O-N 2.9Å; H539-G542 WeakPolarHBondContact O-CA 3.34Å; H539-G542 PolarHBondContact O-N 3.02Å; H539-I543 HydrophobicContact CB-CG1 4.39Å; H539-T547 WeakPolarHBondContact CD2-CG2 3.47Å; H539-T548 PolarHBondContact NE2-O 3.4Å; H539-N550 PolarHBondContact CE1-N 2.95Å; H539-N550 VanDerWaalsContact CE1-N 3.29Å; H539-N550 PolarHBondContact NE2-N 3.18Å; H539-N550 PolarHBondContact NE2-ND2 3.36Å
540	P	84.5	Confident	84.8	Confident	113 Å²	113	57.2 Å²	57.2	73%	0.734	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-2.2	-176.8	28.3	-37.2	0	0	0	114.8	V536	V536-P540 VanDerWaalsContact O-CA 3.26Å; V536-P540 WeakPolarHBondContact O-CA 3.39Å; V536-P540 WeakPolarHBondContact O-CB 3.3Å; V536-P540 WeakPolarHBondContact O-CD 3.49Å; V536-P540 VanDerWaalsContact O-N 3.12Å
541	A	82.8	Confident	84.4	Confident	102 Å²	102	57.6 Å²	57.6	84%	0.843	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	7.9	170.1	0	0	0	0	0	112.8	H539	H539-A541 PolarHBondContact O-N 2.9Å
542	G	84.3	Confident	84.2	Confident	27 Å²	27	58.6 Å²	58.6	28%	0.278	36%	0.355	S	S	.	.			trans	78.1	172.2	-171.4	0	0	0	0	0	113.9	H539	H539-G542 WeakPolarHBondContact O-CA 3.34Å; H539-G542 PolarHBondContact O-N 3.02Å
543	I	86.1	Confident	83.9	Confident	16 Å²	16	65.2 Å²	65.2	8%	0.082	37%	0.37	C	S	.	.			trans	-97.2	137.1	167.8	-70.9	160.3	0	0	0	108	M501 W520 L535 H539 T547 L549 L567 F569	M501-I543 HydrophobicContact CE-CB 4.15Å; M501-I543 HydrophobicContact CE-CD1 3.82Å; M501-I543 HydrophobicContact CE-CG1 3.81Å; W520-I543 HydrophobicContact CH2-CB 3.81Å; W520-I543 HydrophobicContact CH2-CD1 4.01Å; W520-I543 HydrophobicContact CH2-CG2 3.67Å; W520-I543 HydrophobicContact CZ2-CB 4.45Å; W520-I543 HydrophobicContact CZ2-CD1 4.16Å; W520-I543 HydrophobicContact CZ3-CG2 4.24Å; L535-I543 HydrophobicContact CD1-CD1 4.12Å; L535-I543 HydrophobicContact CD2-CD1 4.19Å; H539-I543 HydrophobicContact CB-CG1 4.39Å; I543-T547 HydrophobicContact CG1-CG2 4.1Å; I543-L549 HydrophobicContact CD1-CD2 3.71Å; I543-L549 HydrophobicContact CG1-CD2 4.02Å; I543-L567 HydrophobicContact CD1-CD1 4.45Å; I543-F569 VanDerWaalsContact O-CD2 3.24Å; I543-F569 WeakPolarHBondContact O-CD2 3.16Å; I543-F569 WeakPolarHBondContact O-CE2 3.43Å
544	N	85.4	Confident	83.5	Confident	75 Å²	75	65.4 Å²	65.4	40%	0.401	38%	0.38	S	S	.	.			trans	-131.6	177.9	171.2	63.5	68.3	0	0	0	109.6	H546 T547	N544-H546 PolarHBondContact O-N 2.91Å; N544-H546 WeakPolarHBondContact OD1-CA 3.26Å; N544-H546 PolarHBondContact OD1-N 2.64Å; N544-T547 PolarHBondContact N-OG1 3.34Å; N544-T547 PolarHBondContact ND2-OG1 3.05Å; N544-T547 PolarHBondContact O-N 3.03Å; N544-T547 PolarHBondContact OD1-N 3.01Å
545	T	82.1	Confident	83.4	Confident	82 Å²	82	65.4 Å²	65.4	50%	0.503	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-12.1	-179.9	53.1	0	0	0	0	115.7	F569	T545-F569 HydrophobicContact CG2-CB 4.2Å; T545-F569 HydrophobicContact CG2-CD1 3.65Å; T545-F569 HydrophobicContact CG2-CE1 4.44Å; T545-F569 HydrophobicContact CG2-CG 4.2Å
546	H	77.6	Confident	83.6	Confident	162 Å²	162	66.6 Å²	66.6	75%	0.75	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.2	8.6	-178.6	-52.2	-38.6	0	0	0	113.1	N544 T548	N544-H546 PolarHBondContact O-N 2.91Å; N544-H546 WeakPolarHBondContact OD1-CA 3.26Å; N544-H546 PolarHBondContact OD1-N 2.64Å; H546-T548 PolarHBondContact O-N 3.27Å
547	T	83.4	Confident	83.8	Confident	36 Å²	36	70.9 Å²	70.9	22%	0.221	41%	0.406	C	S	.	.			trans	-73.8	116.8	176	-67.4	0	0	0	0	110.7	H539 I543 N544	H539-T547 WeakPolarHBondContact CD2-CG2 3.47Å; I543-T547 HydrophobicContact CG1-CG2 4.1Å; N544-T547 PolarHBondContact N-OG1 3.34Å; N544-T547 PolarHBondContact ND2-OG1 3.05Å; N544-T547 PolarHBondContact O-N 3.03Å; N544-T547 PolarHBondContact OD1-N 3.01Å
548	T	82.9	Confident	84.2	Confident	109 Å²	109	70.7 Å²	70.7	67%	0.669	41%	0.405	S	S	*	.			trans	-73.8	126	168	51.9	0	0	0	0	110.6	H539 H546 N550	H539-T548 PolarHBondContact NE2-O 3.4Å; H546-T548 PolarHBondContact O-N 3.27Å; T548-N550 PolarHBondContact O-N 3.42Å
549	L	83.2	Confident	84.6	Confident	24 Å²	24	69.5 Å²	69.5	13%	0.126	40%	0.397	C	S	.	.			trans	-72.8	115.2	178.1	-63	-179.8	0	0	0	111.4	I543 M551 I563 Q564 L567	I543-L549 HydrophobicContact CD1-CD2 3.71Å; I543-L549 HydrophobicContact CG1-CD2 4.02Å; L549-M551 VanDerWaalsContact C-N 3.29Å; L549-M551 PolarHBondContact O-N 3.29Å; L549-I563 HydrophobicContact CD1-CG2 3.99Å; L549-Q564 HydrophobicContact CD1-CG 4.02Å; L549-L567 HydrophobicContact CD1-CB 3.98Å; L549-L567 HydrophobicContact CD1-CD1 4.1Å
550	N	79.9	Confident	84.9	Confident	91 Å²	91	70.5 Å²	70.5	49%	0.487	40%	0.4	S	S	.	.			trans	-76.1	74.2	179.2	-64.9	-45	0	0	0	111	C538 H539 T548	C538-N550 PolarHBondContact O-ND2 2.88Å; H539-N550 PolarHBondContact CE1-N 2.95Å; H539-N550 VanDerWaalsContact CE1-N 3.29Å; H539-N550 PolarHBondContact NE2-N 3.18Å; H539-N550 PolarHBondContact NE2-ND2 3.36Å; T548-N550 PolarHBondContact O-N 3.42Å
551	M	81.5	Confident	85.3	Confident	25 Å²	25	67.3 Å²	67.3	12%	0.123	38%	0.381	C	S	.	.			trans	-88.8	137.5	176.1	-77.1	-177.9	61.8	0	0	112.3	F527 L549 V555 R560 I563	F527-M551 HydrophobicContact CD2-CG 4.04Å; F527-M551 HydrophobicContact CE2-CG 3.77Å; L549-M551 VanDerWaalsContact C-N 3.29Å; L549-M551 PolarHBondContact O-N 3.29Å; M551-V555 HydrophobicContact CE-CB 3.78Å; M551-V555 HydrophobicContact CE-CG1 3.37Å; M551-V555 HydrophobicContact CE-CG2 4.2Å; M551-R560 HydrophobicContact CE-CB 3.79Å; M551-R560 HydrophobicContact CE-CG 4.15Å; M551-R560 HydrophobicContact SD-CB 4.06Å; M551-R560 HydrophobicContact SD-CG 3.83Å; M551-I563 HydrophobicContact CE-CD1 3.71Å; M551-I563 HydrophobicContact SD-CB 4.07Å; M551-I563 HydrophobicContact SD-CD1 3.98Å; M551-I563 HydrophobicContact SD-CG2 4.06Å
552	P	81.2	Confident	85.9	Confident	48 Å²	48	62.6 Å²	62.6	31%	0.312	34%	0.341	S	S	.	.			trans	-58.2	157.4	171.8	-24.3	34.9	0	0	0	114	T531 C554 R560	T531-P552 VanDerWaalsContact CG2-CD 3.48Å; T531-P552 HydrophobicContact CG2-CG 4.04Å; P552-C554 VanDerWaalsContact CB-SG 3.59Å; P552-C554 PolarHBondContact O-N 3.01Å; P552-R560 PolarHBondContact O-NH2 3.46Å
553	E	79.3	Confident	86.4	Confident	198 Å²	198	61.3 Å²	61.3	93%	0.925	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.5	173.5	-62.5	179.9	171.6	0	0	113.4	V555	E553-V555 VanDerWaalsContact C-N 3.29Å; E553-V555 PolarHBondContact O-N 2.98Å
554	C	77.3	Confident	86.8	Confident	80 Å²	80	64.3 Å²	64.3	54%	0.541	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	4.2	-178.4	65	0	0	0	0	114.9	P552	P552-C554 VanDerWaalsContact CB-SG 3.59Å; P552-C554 PolarHBondContact O-N 3.01Å
555	V	86.6	Confident	87.2	Confident	6 Å²	6	63.9 Å²	63.9	4%	0.036	34%	0.337	C	S	.	.	S	Bend	trans	-106.7	141.2	176.1	-174.8	0	0	0	0	109	L530 T531 M551 E553 A559 R560	L530-V555 HydrophobicContact CB-CG1 4.22Å; L530-V555 HydrophobicContact CB-CG2 4.16Å; L530-V555 HydrophobicContact CD1-CG1 4.29Å; L530-V555 HydrophobicContact CD2-CG1 4.29Å; L530-V555 WeakPolarHBondContact O-CG2 3.37Å; T531-V555 HydrophobicContact CG2-CG2 4.4Å; M551-V555 HydrophobicContact CE-CB 3.78Å; M551-V555 HydrophobicContact CE-CG1 3.37Å; M551-V555 HydrophobicContact CE-CG2 4.2Å; E553-V555 VanDerWaalsContact C-N 3.29Å; E553-V555 PolarHBondContact O-N 2.98Å; V555-A559 HydrophobicContact CG1-CB 3.65Å; V555-R560 PolarHBondContact O-NH1 3.4Å; V555-R560 PolarHBondContact O-NH2 3.37Å
556	S	91.8	Very high	87.8	Confident	27 Å²	27	60 Å²	60	19%	0.189	31%	0.313	C	S	.	.			trans	-61	159.8	-179.7	69.6	0	0	0	0	113.7	E438 E558 A559 R560	E438-S556 VanDerWaalsContact CD-OG 3.31Å; E438-S556 VanDerWaalsContact OE1-CB 3.22Å; E438-S556 WeakPolarHBondContact OE1-CB 3.29Å; E438-S556 PolarHBondContact OE1-OG 3.02Å; E438-S556 WeakPolarHBondContact OE2-CB 3.29Å; E438-S556 PolarHBondContact OE2-N 3.3Å; E438-S556 PolarHBondContact OE2-OG 3.45Å; S556-E558 VanDerWaalsContact C-N 3.26Å; S556-A559 WeakPolarHBondContact OG-CB 3.45Å; S556-A559 PolarHBondContact OG-N 3.04Å; S556-R560 VanDerWaalsContact O-CB 3.24Å; S556-R560 WeakPolarHBondContact O-CB 3.38Å; S556-R560 PolarHBondContact O-N 2.94Å
557	E	92.4	Very high	88.5	Confident	129 Å²	129	52.5 Å²	52.5	60%	0.603	28%	0.279	S	S	*	.	H	α-helix	trans	-67.1	-33.3	173.5	-60.5	-53.6	146.8	0	0	111.1	R560 S561	E557-R560 PolarHBondContact O-N 3.32Å; E557-R560 IonicContact OE1-CZ 2.68Å; E557-R560 IonicContact OE1-NH1 3.17Å; E557-R560 PolarHBondContact OE1-NH1 3.07Å; E557-R560 IonicContact OE2-CZ 4Å; E557-R560 IonicContact OE2-NH1 2.68Å; E557-R560 PolarHBondContact OE2-NH1 2.82Å; E557-S561 VanDerWaalsContact O-CB 3.22Å; E557-S561 WeakPolarHBondContact O-CB 3.49Å; E557-S561 PolarHBondContact O-N 3.31Å
558	E	93.6	Very high	88.9	Confident	96 Å²	96	54.1 Å²	54.1	45%	0.449	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-49	176.6	-65.4	76.6	-174.6	0	0	111.1	S556 S561 L562 H588 P589 F590	S556-E558 VanDerWaalsContact C-N 3.26Å; E558-S561 PolarHBondContact O-N 3.44Å; E558-L562 PolarHBondContact O-N 3.44Å; E558-H588 PolarHBondContact O-CE1 3.12Å; E558-H588 VanDerWaalsContact O-CE1 3.32Å; E558-P589 HydrophobicContact CG-CB 4.24Å; E558-F590 HydrophobicContact CB-CB 4.33Å; E558-F590 HydrophobicContact CB-CD2 4.5Å
559	A	92.9	Very high	89.3	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-67.7	-38	176.1	0	0	0	0	0	112	L530 V555 S556 L562 I563 F590	L530-A559 HydrophobicContact CD1-CB 3.84Å; V555-A559 HydrophobicContact CG1-CB 3.65Å; S556-A559 WeakPolarHBondContact OG-CB 3.45Å; S556-A559 PolarHBondContact OG-N 3.04Å; A559-L562 PolarHBondContact O-N 3.15Å; A559-I563 WeakPolarHBondContact O-CG1 3.39Å; A559-I563 PolarHBondContact O-N 3.33Å; A559-F590 HydrophobicContact CB-CD2 3.74Å; A559-F590 HydrophobicContact CB-CE2 3.67Å
560	R	93.3	Very high	89.6	Confident	33 Å²	33	54 Å²	54	13%	0.125	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-43.5	173.4	-175.6	176.4	-61.7	101.9	9.5	111.9	M551 P552 V555 S556 E557 Q564	M551-R560 HydrophobicContact CE-CB 3.79Å; M551-R560 HydrophobicContact CE-CG 4.15Å; M551-R560 HydrophobicContact SD-CB 4.06Å; M551-R560 HydrophobicContact SD-CG 3.83Å; P552-R560 PolarHBondContact O-NH2 3.46Å; V555-R560 PolarHBondContact O-NH1 3.4Å; V555-R560 PolarHBondContact O-NH2 3.37Å; S556-R560 VanDerWaalsContact O-CB 3.24Å; S556-R560 WeakPolarHBondContact O-CB 3.38Å; S556-R560 PolarHBondContact O-N 2.94Å; E557-R560 PolarHBondContact O-N 3.32Å; E557-R560 IonicContact OE1-CZ 2.68Å; E557-R560 IonicContact OE1-NH1 3.17Å; E557-R560 PolarHBondContact OE1-NH1 3.07Å; E557-R560 IonicContact OE2-CZ 4Å; E557-R560 IonicContact OE2-NH1 2.68Å; E557-R560 PolarHBondContact OE2-NH1 2.82Å; R560-Q564 VanDerWaalsContact O-CB 3.31Å; R560-Q564 WeakPolarHBondContact O-CB 3.43Å; R560-Q564 WeakPolarHBondContact O-CG 3.46Å; R560-Q564 PolarHBondContact O-N 2.82Å
561	S	94.6	Very high	90.1	Very high	47 Å²	47	51 Å²	51	33%	0.329	26%	0.262	S	S	.	.	H	α-helix	trans	-66.4	-38.7	177	-166.6	0	0	0	0	112	E557 E558 Q565	E557-S561 VanDerWaalsContact O-CB 3.22Å; E557-S561 WeakPolarHBondContact O-CB 3.49Å; E557-S561 PolarHBondContact O-N 3.31Å; E558-S561 PolarHBondContact O-N 3.44Å; S561-Q565 VanDerWaalsContact O-CG 3.31Å; S561-Q565 WeakPolarHBondContact O-CG 3.31Å; S561-Q565 PolarHBondContact O-N 3.46Å; S561-Q565 PolarHBondContact O-NE2 2.68Å; S561-Q565 PolarHBondContact OG-NE2 2.88Å
562	L	95.2	Very high	90.5	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-53.4	175.9	179.9	60.4	0	0	0	111.4	L526 E558 A559 Q564 Q565 L566 L575 H588 F590 F591	L526-L562 HydrophobicContact CD1-CD2 4.2Å; E558-L562 PolarHBondContact O-N 3.44Å; A559-L562 PolarHBondContact O-N 3.15Å; L562-Q564 VanDerWaalsContact C-N 3.28Å; L562-Q564 PolarHBondContact O-N 3.23Å; L562-Q565 PolarHBondContact O-N 3.03Å; L562-L566 HydrophobicContact CD1-CD1 3.81Å; L562-L566 HydrophobicContact CD1-CG 3.99Å; L562-L566 HydrophobicContact CD2-CD1 4.38Å; L562-L566 HydrophobicContact CG-CD1 3.77Å; L562-L566 HydrophobicContact CG-CG 4.33Å; L562-L566 WeakPolarHBondContact O-CG 3.44Å; L562-L566 PolarHBondContact O-N 3.43Å; L562-L575 HydrophobicContact CD1-CD2 3.69Å; L562-H588 HydrophobicContact CD1-CB 4.36Å; L562-H588 PolarHBondContact N-CE1 2.8Å; L562-H588 VanDerWaalsContact N-CE1 3.35Å; L562-F590 HydrophobicContact CB-CB 4.27Å; L562-F590 HydrophobicContact CD2-CB 4.03Å; L562-F590 HydrophobicContact CD2-CD1 3.33Å; L562-F590 HydrophobicContact CD2-CE1 3.93Å; L562-F590 HydrophobicContact CD2-CG 3.81Å; L562-F591 HydrophobicContact CD1-CE2 4.21Å; L562-F591 HydrophobicContact CD2-CE2 3.7Å; L562-F591 HydrophobicContact CD2-CZ 3.83Å
563	I	94.4	Very high	90.9	Very high	1 Å²	1	61 Å²	61	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-41.2	-179.5	-69.9	164.1	0	0	0	110.8	L526 F527 L530 L549 M551 A559 Q565 L566 L567	L526-I563 HydrophobicContact CB-CG1 4.37Å; F527-I563 HydrophobicContact CB-CD1 4.38Å; F527-I563 HydrophobicContact CB-CG2 4.25Å; F527-I563 HydrophobicContact CD2-CG2 4.21Å; L530-I563 HydrophobicContact CD1-CD1 3.66Å; L549-I563 HydrophobicContact CD1-CG2 3.99Å; M551-I563 HydrophobicContact CE-CD1 3.71Å; M551-I563 HydrophobicContact SD-CB 4.07Å; M551-I563 HydrophobicContact SD-CD1 3.98Å; M551-I563 HydrophobicContact SD-CG2 4.06Å; A559-I563 WeakPolarHBondContact O-CG1 3.39Å; A559-I563 PolarHBondContact O-N 3.33Å; I563-Q565 VanDerWaalsContact C-N 3.28Å; I563-Q565 PolarHBondContact O-N 3.48Å; I563-L566 PolarHBondContact O-N 2.78Å; I563-L567 HydrophobicContact CG2-CD1 3.69Å; I563-L567 HydrophobicContact CG2-CG 4.3Å; I563-L567 WeakPolarHBondContact O-CB 3.44Å; I563-L567 PolarHBondContact O-N 3.49Å
564	Q	93.3	Very high	91.6	Very high	78 Å²	78	51.8 Å²	51.8	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-29.3	176.8	-77	175	-1.9	0	0	113.8	L549 R560 L562 Q568	L549-Q564 HydrophobicContact CD1-CG 4.02Å; R560-Q564 VanDerWaalsContact O-CB 3.31Å; R560-Q564 WeakPolarHBondContact O-CB 3.43Å; R560-Q564 WeakPolarHBondContact O-CG 3.46Å; R560-Q564 PolarHBondContact O-N 2.82Å; L562-Q564 VanDerWaalsContact C-N 3.28Å; L562-Q564 PolarHBondContact O-N 3.23Å; Q564-Q568 PolarHBondContact O-NE2 3.12Å
565	Q	94.2	Very high	92.3	Very high	66 Å²	66	49.1 Å²	49.1	31%	0.308	24%	0.244	S	C	.	.	H	α-helix	trans	-89.1	-26.7	178.4	-65.6	169	70.3	0	0	112.7	S561 L562 I563 L575 H588	S561-Q565 VanDerWaalsContact O-CG 3.31Å; S561-Q565 WeakPolarHBondContact O-CG 3.31Å; S561-Q565 PolarHBondContact O-N 3.46Å; S561-Q565 PolarHBondContact O-NE2 2.68Å; S561-Q565 PolarHBondContact OG-NE2 2.88Å; L562-Q565 PolarHBondContact O-N 3.03Å; I563-Q565 VanDerWaalsContact C-N 3.28Å; I563-Q565 PolarHBondContact O-N 3.48Å; Q565-L575 HydrophobicContact CB-CB 3.9Å; Q565-L575 HydrophobicContact CB-CD2 4.24Å; Q565-L575 HydrophobicContact CB-CG 4.49Å; Q565-L575 PolarHBondContact O-N 2.88Å; Q565-H588 PolarHBondContact NE2-NE2 2.81Å
566	L	94.6	Very high	92.5	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-77.3	-37	172.8	-69.4	174.6	0	0	0	112.9	W519 L522 L526 L562 I563 Q568 R574 L575 I585	W519-L566 HydrophobicContact CB-CD2 3.99Å; L522-L566 HydrophobicContact CD2-CD1 4.19Å; L522-L566 HydrophobicContact CG-CD1 4.24Å; L526-L566 HydrophobicContact CD1-CD1 4.22Å; L562-L566 HydrophobicContact CD1-CD1 3.81Å; L562-L566 HydrophobicContact CD1-CG 3.99Å; L562-L566 HydrophobicContact CD2-CD1 4.38Å; L562-L566 HydrophobicContact CG-CD1 3.77Å; L562-L566 HydrophobicContact CG-CG 4.33Å; L562-L566 WeakPolarHBondContact O-CG 3.44Å; L562-L566 PolarHBondContact O-N 3.43Å; I563-L566 PolarHBondContact O-N 2.78Å; L566-Q568 VanDerWaalsContact C-N 3.25Å; L566-Q568 PolarHBondContact O-N 3.2Å; L566-R574 WeakPolarHBondContact O-CD 3.26Å; L566-R574 WeakPolarHBondContact O-CG 3.46Å; L566-L575 HydrophobicContact CD2-CB 4.16Å; L566-I585 HydrophobicContact CD2-CD1 4.18Å; L566-I585 HydrophobicContact CD2-CG1 4.42Å
567	L	93.4	Very high	92.3	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.031	25%	0.251	C	S	.	.	S	Bend	trans	-91.1	38.9	179.6	-65.3	179.5	0	0	0	113	W520 A524 L535 I543 L549 I563	W520-L567 HydrophobicContact CD2-CD2 3.63Å; W520-L567 HydrophobicContact CE3-CB 4.41Å; W520-L567 HydrophobicContact CE3-CD2 3.94Å; W520-L567 HydrophobicContact CG-CD2 3.97Å; W520-L567 HydrophobicContact CZ2-CD2 4.25Å; W520-L567 HydrophobicContact CZ3-CB 4.34Å; W520-L567 HydrophobicContact CZ3-CD2 4.38Å; W520-L567 WeakPolarHBondContact CZ3-O 3.34Å; W520-L567 WeakPolarHBondContact O-CD2 3.47Å; A524-L567 HydrophobicContact CB-CD2 4.28Å; L535-L567 HydrophobicContact CD1-CD1 3.83Å; L535-L567 HydrophobicContact CD1-CD2 4.05Å; L535-L567 HydrophobicContact CD2-CD1 3.7Å; L535-L567 HydrophobicContact CG-CD1 4.37Å; I543-L567 HydrophobicContact CD1-CD1 4.45Å; L549-L567 HydrophobicContact CD1-CB 3.98Å; L549-L567 HydrophobicContact CD1-CD1 4.1Å; I563-L567 HydrophobicContact CG2-CD1 3.69Å; I563-L567 HydrophobicContact CG2-CG 4.3Å; I563-L567 WeakPolarHBondContact O-CB 3.44Å; I563-L567 PolarHBondContact O-N 3.49Å
568	Q	92.5	Very high	91.9	Very high	70 Å²	70	45.3 Å²	45.3	33%	0.327	24%	0.241	S	C	.	.			trans	-77.9	128.1	169.9	-72.2	-60.3	-34.7	0	0	110.8	Q564 L566 N570 R574	Q564-Q568 PolarHBondContact O-NE2 3.12Å; L566-Q568 VanDerWaalsContact C-N 3.25Å; L566-Q568 PolarHBondContact O-N 3.2Å; Q568-N570 VanDerWaalsContact C-N 3.33Å; Q568-N570 PolarHBondContact O-N 2.94Å; Q568-R574 HydrophobicContact CB-CB 4.19Å; Q568-R574 HydrophobicContact CB-CG 4.32Å; Q568-R574 PolarHBondContact O-NE 2.76Å; Q568-R574 PolarHBondContact O-NH2 3.05Å
569	F	89.8	Confident	91.4	Very high	78 Å²	78	48.6 Å²	48.6	34%	0.342	27%	0.268	S	S	.	.	S	Bend	trans	-63.4	-39	-177.1	-176.4	-89.7	0	0	0	112.2	P505 I543 T545 P571 R574	P505-F569 HydrophobicContact CB-CD2 3.81Å; P505-F569 HydrophobicContact CB-CE2 3.45Å; P505-F569 VanDerWaalsContact CB-CE2 3.45Å; P505-F569 HydrophobicContact CB-CZ 4.03Å; P505-F569 HydrophobicContact CG-CD2 3.71Å; P505-F569 HydrophobicContact CG-CE2 3.89Å; P505-F569 HydrophobicContact CG-CG 4.24Å; I543-F569 VanDerWaalsContact O-CD2 3.24Å; I543-F569 WeakPolarHBondContact O-CD2 3.16Å; I543-F569 WeakPolarHBondContact O-CE2 3.43Å; T545-F569 HydrophobicContact CG2-CB 4.2Å; T545-F569 HydrophobicContact CG2-CD1 3.65Å; T545-F569 HydrophobicContact CG2-CE1 4.44Å; T545-F569 HydrophobicContact CG2-CG 4.2Å; F569-P571 WeakPolarHBondContact O-CD 3.2Å; F569-R574 PolarHBondContact O-NH2 2.9Å
570	N	89.8	Confident	91	Very high	51 Å²	51	51 Å²	51	27%	0.273	29%	0.288	S	S	.	.	S	Bend	trans	-80.2	118.1	173.1	179	3.8	0	0	0	109.6	Q568 L572 E573 R574	Q568-N570 VanDerWaalsContact C-N 3.33Å; Q568-N570 PolarHBondContact O-N 2.94Å; N570-L572 PolarHBondContact O-N 3.08Å; N570-L572 PolarHBondContact OD1-N 3.39Å; N570-L572 VanDerWaalsContact OD1-N 3.1Å; N570-E573 HydrophobicContact CB-CB 4.26Å; N570-E573 HydrophobicContact CB-CG 4.43Å; N570-E573 VanDerWaalsContact CB-OE2 3.27Å; N570-E573 WeakPolarHBondContact CB-OE2 3.45Å; N570-E573 VanDerWaalsContact ND2-CD 3.25Å; N570-E573 WeakPolarHBondContact ND2-CG 3.31Å; N570-E573 PolarHBondContact ND2-OE2 2.97Å; N570-E573 PolarHBondContact O-N 2.98Å; N570-E573 VanDerWaalsContact O-N 3.15Å; N570-R574 PolarHBondContact O-N 3.1Å
571	P	90.1	Very high	90.8	Very high	30 Å²	30	50.4 Å²	50.4	20%	0.195	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-62.2	-27.1	-179.7	24.4	-33.6	0	0	0	113	E506 A516 F569 E573 R574 A577	E506-P571 HydrophobicContact CG-CG 4.42Å; A516-P571 HydrophobicContact CB-CB 3.84Å; F569-P571 WeakPolarHBondContact O-CD 3.2Å; P571-E573 VanDerWaalsContact C-N 3.31Å; P571-E573 PolarHBondContact O-N 3.36Å; P571-R574 VanDerWaalsContact O-CB 3.31Å; P571-R574 WeakPolarHBondContact O-CB 3.4Å; P571-R574 PolarHBondContact O-N 2.86Å; P571-A577 WeakPolarHBondContact O-CB 3.42Å
572	L	89.4	Confident	90.7	Very high	146 Å²	146	49 Å²	49	76%	0.764	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-75.8	-17	179.1	-59.4	177.8	0	0	0	113.9	N570	N570-L572 PolarHBondContact O-N 3.08Å; N570-L572 PolarHBondContact OD1-N 3.39Å; N570-L572 VanDerWaalsContact OD1-N 3.1Å
573	E	90.4	Very high	90.5	Very high	135 Å²	135	53.6 Å²	53.6	63%	0.631	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-102.4	4	176.4	-69	171.2	135.6	0	0	111.7	N570 P571	N570-E573 HydrophobicContact CB-CB 4.26Å; N570-E573 HydrophobicContact CB-CG 4.43Å; N570-E573 VanDerWaalsContact CB-OE2 3.27Å; N570-E573 WeakPolarHBondContact CB-OE2 3.45Å; N570-E573 VanDerWaalsContact ND2-CD 3.25Å; N570-E573 WeakPolarHBondContact ND2-CG 3.31Å; N570-E573 PolarHBondContact ND2-OE2 2.97Å; N570-E573 PolarHBondContact O-N 2.98Å; N570-E573 VanDerWaalsContact O-N 3.15Å; P571-E573 VanDerWaalsContact C-N 3.31Å; P571-E573 PolarHBondContact O-N 3.36Å
574	R	94	Very high	90.5	Very high	6 Å²	6	56.5 Å²	56.5	2%	0.023	32%	0.318	C	S	.	.	S	Bend	trans	-84.5	140	-176.8	-159.8	177.1	-65.3	153.7	4.3	111.3	E506 A516 L566 Q568 F569 N570 P571 G576 A577	E506-R574 IonicContact OE1-CZ 3.96Å; E506-R574 IonicContact OE1-NH1 2.7Å; E506-R574 PolarHBondContact OE1-NH1 3.48Å; E506-R574 IonicContact OE1-NH2 2.79Å; E506-R574 IonicContact OE2-CZ 2.82Å; E506-R574 IonicContact OE2-NH1 2.72Å; E506-R574 PolarHBondContact OE2-NH1 3.42Å; E506-R574 IonicContact OE2-NH2 3.21Å; E506-R574 PolarHBondContact OE2-NH2 3.05Å; A516-R574 VanDerWaalsContact C-NH1 3.26Å; A516-R574 WeakPolarHBondContact O-CD 3.29Å; A516-R574 PolarHBondContact O-NH1 2.72Å; L566-R574 WeakPolarHBondContact O-CD 3.26Å; L566-R574 WeakPolarHBondContact O-CG 3.46Å; Q568-R574 HydrophobicContact CB-CB 4.19Å; Q568-R574 HydrophobicContact CB-CG 4.32Å; Q568-R574 PolarHBondContact O-NE 2.76Å; Q568-R574 PolarHBondContact O-NH2 3.05Å; F569-R574 PolarHBondContact O-NH2 2.9Å; N570-R574 PolarHBondContact O-N 3.1Å; P571-R574 VanDerWaalsContact O-CB 3.31Å; P571-R574 WeakPolarHBondContact O-CB 3.4Å; P571-R574 PolarHBondContact O-N 2.86Å; R574-G576 PolarHBondContact O-N 3.27Å; R574-A577 WeakPolarHBondContact O-CB 3.02Å; R574-A577 PolarHBondContact O-N 2.95Å; R574-A577 VanDerWaalsContact O-N 3.08Å
575	L	93.1	Very high	90.6	Very high	23 Å²	23	52.8 Å²	52.8	12%	0.12	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	133.5	173.9	-161.7	68.6	0	0	0	109.8	L562 Q565 L566 D584 I585 H588	L562-L575 HydrophobicContact CD1-CD2 3.69Å; Q565-L575 HydrophobicContact CB-CB 3.9Å; Q565-L575 HydrophobicContact CB-CD2 4.24Å; Q565-L575 HydrophobicContact CB-CG 4.49Å; Q565-L575 PolarHBondContact O-N 2.88Å; L566-L575 HydrophobicContact CD2-CB 4.16Å; L575-D584 HydrophobicContact CD1-CB 3.89Å; L575-I585 HydrophobicContact CB-CG1 4.42Å; L575-I585 HydrophobicContact CD2-CB 4.45Å; L575-I585 HydrophobicContact CD2-CG1 4.01Å; L575-I585 HydrophobicContact CG-CG1 3.79Å; L575-H588 HydrophobicContact CD2-CB 4.48Å
576	G	89.3	Confident	90.5	Very high	4 Å²	4	51 Å²	51	4%	0.041	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-12	-173.3	0	0	0	0	0	115.5	W519 R574 G581	W519-G576 PolarHBondContact NE1-O 3.03Å; R574-G576 PolarHBondContact O-N 3.27Å; G576-G581 WeakPolarHBondContact CA-O 3.13Å; G576-G581 WeakPolarHBondContact O-CA 3.4Å
577	A	87.5	Confident	90.4	Very high	39 Å²	39	55.4 Å²	55.4	32%	0.322	32%	0.323	S	S	.	.	S	Bend	trans	-96.3	-1.2	175.8	0	0	0	0	0	114.2	A516 P571 R574	A516-A577 HydrophobicContact CB-CB 4.07Å; P571-A577 WeakPolarHBondContact O-CB 3.42Å; R574-A577 WeakPolarHBondContact O-CB 3.02Å; R574-A577 PolarHBondContact O-N 2.95Å; R574-A577 VanDerWaalsContact O-N 3.08Å
578	G	84.2	Confident	90.5	Very high	39 Å²	39	55.7 Å²	55.7	40%	0.402	32%	0.324	S	S	.	.	S	Bend	trans	-74.9	176.8	178.4	0	0	0	0	0	113.7	A580 G581	G578-A580 PolarHBondContact O-N 2.59Å; G578-G581 WeakPolarHBondContact O-CA 3.31Å; G578-G581 PolarHBondContact O-N 3.48Å
579	V	82.7	Confident	90.6	Very high	165 Å²	165	56 Å²	56	100%	1	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.4	-179.4	-179.3	0	0	0	0	113
580	A	85.1	Confident	90.8	Very high	52 Å²	52	52.4 Å²	52.4	43%	0.43	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-3.4	172.1	0	0	0	0	0	113.2	G578 V582 E583	G578-A580 PolarHBondContact O-N 2.59Å; A580-V582 PolarHBondContact O-N 3.23Å; A580-E583 HydrophobicContact CB-CB 4.42Å; A580-E583 WeakPolarHBondContact O-CB 3.29Å; A580-E583 PolarHBondContact O-N 3.07Å
581	G	88.8	Confident	91.1	Very high	20 Å²	20	50 Å²	50	21%	0.206	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	-128.8	176.2	0	0	0	0	0	112.6	G576 G578 E583 D584	G576-G581 WeakPolarHBondContact CA-O 3.13Å; G576-G581 WeakPolarHBondContact O-CA 3.4Å; G578-G581 WeakPolarHBondContact O-CA 3.31Å; G578-G581 PolarHBondContact O-N 3.48Å; G581-E583 PolarHBondContact O-N 2.94Å; G581-E583 VanDerWaalsContact O-N 3.09Å; G581-D584 WeakPolarHBondContact O-CB 3.44Å; G581-D584 PolarHBondContact O-N 2.82Å; G581-D584 VanDerWaalsContact O-N 3.14Å
582	V	92.2	Very high	91.1	Very high	17 Å²	17	54.1 Å²	54.1	10%	0.103	33%	0.328	C	S	.	.	H	α-helix	trans	-54.8	-25.3	177.7	74.5	0	0	0	0	114.4	V449 D453 W519 A580 D584 I585 K586	V449-V582 HydrophobicContact CG1-CG2 3.65Å; D453-V582 HydrophobicContact CB-CG2 4Å; D453-V582 WeakPolarHBondContact OD1-CG1 3.5Å; W519-V582 HydrophobicContact CH2-CB 4.45Å; W519-V582 HydrophobicContact CH2-CG2 3.77Å; W519-V582 HydrophobicContact CZ2-CB 4.15Å; W519-V582 HydrophobicContact CZ2-CG2 3.97Å; A580-V582 PolarHBondContact O-N 3.23Å; V582-D584 PolarHBondContact O-N 3.48Å; V582-I585 WeakPolarHBondContact O-CA 3.39Å; V582-I585 WeakPolarHBondContact O-CB 3.19Å; V582-I585 PolarHBondContact O-N 3.48Å; V582-K586 HydrophobicContact CG1-CD 4.5Å; V582-K586 HydrophobicContact CG2-CD 4.45Å; V582-K586 HydrophobicContact CG2-CG 4.33Å; V582-K586 PolarHBondContact O-N 3.14Å
583	E	92.6	Very high	90.9	Very high	99 Å²	99	51.6 Å²	51.6	46%	0.463	32%	0.321	S	S	.	.	H	α-helix	trans	-69.4	-24.2	-178	-57.3	-59.8	130	0	0	111.8	A580 G581 I585 K586 S587	A580-E583 HydrophobicContact CB-CB 4.42Å; A580-E583 WeakPolarHBondContact O-CB 3.29Å; A580-E583 PolarHBondContact O-N 3.07Å; G581-E583 PolarHBondContact O-N 2.94Å; G581-E583 VanDerWaalsContact O-N 3.09Å; E583-I585 VanDerWaalsContact C-N 3.31Å; E583-K586 PolarHBondContact O-N 3.39Å; E583-K586 WeakPolarHBondContact OE1-CD 3.48Å; E583-K586 IonicContact OE1-NZ 3.27Å; E583-K586 PolarHBondContact OE1-NZ 3.09Å; E583-S587 VanDerWaalsContact O-CB 3.29Å; E583-S587 WeakPolarHBondContact O-CB 3.49Å; E583-S587 PolarHBondContact O-N 3.3Å; E583-S587 PolarHBondContact O-OG 3.32Å
584	D	93.4	Very high	90.8	Very high	62 Å²	62	46.3 Å²	46.3	33%	0.332	30%	0.297	S	S	.	.	H	α-helix	trans	-67.1	-32.4	168.7	-67.5	-38.4	0	0	0	111.5	L575 G581 V582	L575-D584 HydrophobicContact CD1-CB 3.89Å; G581-D584 WeakPolarHBondContact O-CB 3.44Å; G581-D584 PolarHBondContact O-N 2.82Å; G581-D584 VanDerWaalsContact O-N 3.14Å; V582-D584 PolarHBondContact O-N 3.48Å
585	I	94.6	Very high	90.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-72.7	-49.2	172.5	-58.7	172.7	0	0	0	109.9	V449 W519 L566 L575 V582 E583 S587 H588 F591	V449-I585 HydrophobicContact CG1-CG2 4.32Å; V449-I585 HydrophobicContact CG2-CG2 3.81Å; W519-I585 HydrophobicContact CB-CD1 4.43Å; W519-I585 HydrophobicContact CD2-CD1 3.33Å; W519-I585 HydrophobicContact CE3-CD1 3.44Å; W519-I585 VanDerWaalsContact CE3-CD1 3.44Å; W519-I585 HydrophobicContact CG-CD1 3.77Å; W519-I585 HydrophobicContact CH2-CD1 4.21Å; W519-I585 HydrophobicContact CZ2-CD1 4.1Å; W519-I585 HydrophobicContact CZ3-CD1 3.88Å; L566-I585 HydrophobicContact CD2-CD1 4.18Å; L566-I585 HydrophobicContact CD2-CG1 4.42Å; L575-I585 HydrophobicContact CB-CG1 4.42Å; L575-I585 HydrophobicContact CD2-CB 4.45Å; L575-I585 HydrophobicContact CD2-CG1 4.01Å; L575-I585 HydrophobicContact CG-CG1 3.79Å; V582-I585 WeakPolarHBondContact O-CA 3.39Å; V582-I585 WeakPolarHBondContact O-CB 3.19Å; V582-I585 PolarHBondContact O-N 3.48Å; E583-I585 VanDerWaalsContact C-N 3.31Å; I585-S587 VanDerWaalsContact C-N 3.28Å; I585-S587 PolarHBondContact O-N 3.02Å; I585-H588 WeakPolarHBondContact O-CB 3.33Å; I585-H588 PolarHBondContact O-N 3.12Å; I585-H588 VanDerWaalsContact O-N 3.09Å; I585-F591 HydrophobicContact CG2-CE2 3.77Å; I585-F591 HydrophobicContact CG2-CZ 4.33Å; I585-F591 WeakPolarHBondContact O-CD2 3.47Å; I585-F591 WeakPolarHBondContact O-CE2 3.46Å
586	K	93	Very high	90.3	Very high	28 Å²	28	52.3 Å²	52.3	12%	0.122	33%	0.326	C	S	.	.	H	α-helix	trans	-64.8	-29.7	-175.7	-67	174	-170.5	163.2	0	113.8	V449 D453 V582 E583 H588 W596	V449-K586 HydrophobicContact CG1-CG 4.12Å; D453-K586 WeakPolarHBondContact OD2-CE 3.27Å; D453-K586 IonicContact OD2-NZ 2.69Å; D453-K586 PolarHBondContact OD2-NZ 3.47Å; V582-K586 HydrophobicContact CG1-CD 4.5Å; V582-K586 HydrophobicContact CG2-CD 4.45Å; V582-K586 HydrophobicContact CG2-CG 4.33Å; V582-K586 PolarHBondContact O-N 3.14Å; E583-K586 PolarHBondContact O-N 3.39Å; E583-K586 WeakPolarHBondContact OE1-CD 3.48Å; E583-K586 IonicContact OE1-NZ 3.27Å; E583-K586 PolarHBondContact OE1-NZ 3.09Å; K586-H588 VanDerWaalsContact C-N 3.34Å; K586-W596 HydrophobicContact CB-CD2 4.44Å; K586-W596 HydrophobicContact CB-CH2 4.31Å; K586-W596 HydrophobicContact CB-CZ2 3.72Å; K586-W596 HydrophobicContact CD-CD2 4.48Å; K586-W596 HydrophobicContact CG-CD2 4.22Å; K586-W596 HydrophobicContact CG-CE3 4.28Å; K586-W596 HydrophobicContact CG-CH2 3.84Å; K586-W596 HydrophobicContact CG-CZ2 3.76Å; K586-W596 HydrophobicContact CG-CZ3 4.1Å; K586-W596 PolarHBondContact O-NE1 3.44Å
587	S	93.4	Very high	90	Very high	93 Å²	93	55.6 Å²	55.6	65%	0.65	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-3.7	176.9	61.3	0	0	0	0	114.1	E583 I585	E583-S587 VanDerWaalsContact O-CB 3.29Å; E583-S587 WeakPolarHBondContact O-CB 3.49Å; E583-S587 PolarHBondContact O-N 3.3Å; E583-S587 PolarHBondContact O-OG 3.32Å; I585-S587 VanDerWaalsContact C-N 3.28Å; I585-S587 PolarHBondContact O-N 3.02Å
588	H	95.4	Very high	89.7	Confident	12 Å²	12	59.7 Å²	59.7	6%	0.056	37%	0.365	C	S	.	.	S	Bend	trans	-63.5	138.8	179	-170	-87.6	0	0	0	111.7	E558 L562 Q565 L575 I585 K586 F590 F591	E558-H588 PolarHBondContact O-CE1 3.12Å; E558-H588 VanDerWaalsContact O-CE1 3.32Å; L562-H588 HydrophobicContact CD1-CB 4.36Å; L562-H588 PolarHBondContact N-CE1 2.8Å; L562-H588 VanDerWaalsContact N-CE1 3.35Å; Q565-H588 PolarHBondContact NE2-NE2 2.81Å; L575-H588 HydrophobicContact CD2-CB 4.48Å; I585-H588 WeakPolarHBondContact O-CB 3.33Å; I585-H588 PolarHBondContact O-N 3.12Å; I585-H588 VanDerWaalsContact O-N 3.09Å; K586-H588 VanDerWaalsContact C-N 3.34Å; H588-F590 WeakPolarHBondContact ND1-CB 3.45Å; H588-F590 PolarHBondContact ND1-N 3.28Å; H588-F590 PolarHBondContact O-N 3.38Å; H588-F591 HydrophobicContact CB-CD2 4.22Å; H588-F591 PolarHBondContact O-N 3.32Å
589	P	94.5	Very high	89.6	Confident	76 Å²	76	60.4 Å²	60.4	49%	0.494	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-51.3	-30.6	-176.2	-32.1	36.7	0	0	0	116	E558 F591 T592	E558-P589 HydrophobicContact CG-CB 4.24Å; P589-F591 PolarHBondContact O-N 3.06Å; P589-T592 WeakPolarHBondContact CA-OG1 3.47Å; P589-T592 WeakPolarHBondContact O-CB 3.24Å; P589-T592 PolarHBondContact O-N 3.31Å; P589-T592 VanDerWaalsContact O-N 3.11Å; P589-T592 PolarHBondContact O-OG1 3.36Å
590	F	94.4	Very high	89.1	Confident	3 Å²	3	58.5 Å²	58.5	1%	0.013	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-56.3	-27.4	174.2	-178.8	-103.8	0	0	0	113.9	E438 Q442 A445 E558 A559 L562 H588	E438-F590 HydrophobicContact CG-CE2 4.08Å; Q442-F590 HydrophobicContact CB-CE1 4.06Å; Q442-F590 HydrophobicContact CB-CE2 4.39Å; Q442-F590 HydrophobicContact CB-CZ 3.75Å; Q442-F590 HydrophobicContact CG-CE1 4.11Å; Q442-F590 HydrophobicContact CG-CZ 4.14Å; Q442-F590 PolarHBondContact NE2-O 3.09Å; A445-F590 HydrophobicContact CB-CE1 4.02Å; E558-F590 HydrophobicContact CB-CB 4.33Å; E558-F590 HydrophobicContact CB-CD2 4.5Å; A559-F590 HydrophobicContact CB-CD2 3.74Å; A559-F590 HydrophobicContact CB-CE2 3.67Å; L562-F590 HydrophobicContact CB-CB 4.27Å; L562-F590 HydrophobicContact CD2-CB 4.03Å; L562-F590 HydrophobicContact CD2-CD1 3.33Å; L562-F590 HydrophobicContact CD2-CE1 3.93Å; L562-F590 HydrophobicContact CD2-CG 3.81Å; H588-F590 WeakPolarHBondContact ND1-CB 3.45Å; H588-F590 PolarHBondContact ND1-N 3.28Å; H588-F590 PolarHBondContact O-N 3.38Å
591	F	94.3	Very high	87.8	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.009	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-99.7	6.6	179.2	-59.1	-76.1	0	0	0	114.3	A445 A446 V449 L562 I585 H588 P589 P593 V594 W596	A445-F591 HydrophobicContact CB-CE1 3.76Å; A445-F591 HydrophobicContact CB-CZ 4.09Å; A446-F591 HydrophobicContact CB-CD1 4.07Å; A446-F591 HydrophobicContact CB-CE1 4.07Å; V449-F591 HydrophobicContact CG2-CZ 4.27Å; L562-F591 HydrophobicContact CD1-CE2 4.21Å; L562-F591 HydrophobicContact CD2-CE2 3.7Å; L562-F591 HydrophobicContact CD2-CZ 3.83Å; I585-F591 HydrophobicContact CG2-CE2 3.77Å; I585-F591 HydrophobicContact CG2-CZ 4.33Å; I585-F591 WeakPolarHBondContact O-CD2 3.47Å; I585-F591 WeakPolarHBondContact O-CE2 3.46Å; H588-F591 HydrophobicContact CB-CD2 4.22Å; H588-F591 PolarHBondContact O-N 3.32Å; P589-F591 PolarHBondContact O-N 3.06Å; F591-P593 VanDerWaalsContact C-N 3.3Å; F591-P593 VanDerWaalsContact O-N 3.11Å; F591-V594 HydrophobicContact CB-CG2 4.41Å; F591-V594 HydrophobicContact CD1-CG2 4.29Å; F591-V594 WeakPolarHBondContact O-CB 3.45Å; F591-V594 PolarHBondContact O-N 3Å; F591-W596 HydrophobicContact CB-CH2 4.37Å; F591-W596 HydrophobicContact CB-CZ2 3.51Å; F591-W596 AromaticContact CD1-CH2 3.77Å; F591-W596 HydrophobicContact CD1-CH2 3.77Å; F591-W596 AromaticContact CD1-CZ2 3.79Å; F591-W596 HydrophobicContact CD1-CZ2 3.79Å; F591-W596 HydrophobicContact CD2-CH2 4.45Å; F591-W596 HydrophobicContact CD2-CZ2 4.14Å; F591-W596 HydrophobicContact CE1-CH2 4.1Å; F591-W596 AromaticContact CG-CH2 3.96Å; F591-W596 HydrophobicContact CG-CH2 3.96Å; F591-W596 AromaticContact CG-CZ2 3.56Å; F591-W596 HydrophobicContact CG-CZ2 3.56Å
592	T	89.9	Confident	87.8	Confident	116 Å²	116	68.4 Å²	68.4	71%	0.712	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-38.2	179	-54.4	0	0	0	0	115.6	P589	P589-T592 WeakPolarHBondContact CA-OG1 3.47Å; P589-T592 WeakPolarHBondContact O-CB 3.24Å; P589-T592 PolarHBondContact O-N 3.31Å; P589-T592 VanDerWaalsContact O-N 3.11Å; P589-T592 PolarHBondContact O-OG1 3.36Å
593	P	86.3	Confident	87.6	Confident	93 Å²	93	71.1 Å²	71.1	60%	0.604	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	5.6	-179.9	36.9	-37.1	0	0	0	114.4	Q442 F591	Q442-P593 VanDerWaalsContact NE2-CG 3.34Å; F591-P593 VanDerWaalsContact C-N 3.3Å; F591-P593 VanDerWaalsContact O-N 3.11Å
594	V	88.2	Confident	87.3	Confident	24 Å²	24	69.6 Å²	69.6	15%	0.145	38%	0.375	C	S	.	.			trans	-93.3	126.7	-175.6	179.8	0	0	0	0	111	Q442 A446 F591 W596 L599	Q442-V594 HydrophobicContact CG-CG2 4.02Å; A446-V594 HydrophobicContact CB-CG1 3.79Å; A446-V594 HydrophobicContact CB-CG2 4.4Å; F591-V594 HydrophobicContact CB-CG2 4.41Å; F591-V594 HydrophobicContact CD1-CG2 4.29Å; F591-V594 WeakPolarHBondContact O-CB 3.45Å; F591-V594 PolarHBondContact O-N 3Å; V594-W596 HydrophobicContact CG1-CD2 4.31Å; V594-W596 PolarHBondContact O-N 3.35Å; V594-L599 HydrophobicContact CG1-CD1 3.53Å; V594-L599 HydrophobicContact CG1-CG 4.43Å
595	D	88.2	Confident	86.9	Confident	98 Å²	98	70 Å²	70	52%	0.524	38%	0.378	S	S	.	.			trans	-87.3	96.9	167.8	-167	-21.2	0	0	0	110.5	A597 E598 L599	D595-A597 PolarHBondContact O-N 2.68Å; D595-A597 WeakPolarHBondContact OD1-CA 3.45Å; D595-A597 VanDerWaalsContact OD1-CB 3.32Å; D595-A597 WeakPolarHBondContact OD1-CB 3.39Å; D595-A597 PolarHBondContact OD1-N 3.37Å; D595-E598 HydrophobicContact CB-CB 4.13Å; D595-E598 PolarHBondContact O-N 3.28Å; D595-E598 VanDerWaalsContact O-N 3.11Å; D595-E598 PolarHBondContact OD1-N 3.11Å; D595-L599 PolarHBondContact O-N 3.06Å
596	W	88.4	Confident	86.4	Confident	56 Å²	56	74.4 Å²	74.4	21%	0.212	40%	0.402	C	S	.	.	H	α-helix	trans	-59.3	-23.8	175.4	-60.8	105.5	0	0	0	113.6	A446 V449 V450 K586 F591 V594 L599 M600	A446-W596 HydrophobicContact CB-CE3 4.4Å; A446-W596 HydrophobicContact CB-CH2 3.77Å; A446-W596 HydrophobicContact CB-CZ3 3.64Å; V449-W596 HydrophobicContact CB-CH2 4.34Å; V449-W596 HydrophobicContact CB-CZ3 4.3Å; V449-W596 HydrophobicContact CG1-CH2 4.08Å; V449-W596 HydrophobicContact CG1-CZ3 4.07Å; V450-W596 HydrophobicContact CG2-CE3 3.93Å; V450-W596 HydrophobicContact CG2-CZ3 4.05Å; K586-W596 HydrophobicContact CB-CD2 4.44Å; K586-W596 HydrophobicContact CB-CH2 4.31Å; K586-W596 HydrophobicContact CB-CZ2 3.72Å; K586-W596 HydrophobicContact CD-CD2 4.48Å; K586-W596 HydrophobicContact CG-CD2 4.22Å; K586-W596 HydrophobicContact CG-CE3 4.28Å; K586-W596 HydrophobicContact CG-CH2 3.84Å; K586-W596 HydrophobicContact CG-CZ2 3.76Å; K586-W596 HydrophobicContact CG-CZ3 4.1Å; K586-W596 PolarHBondContact O-NE1 3.44Å; F591-W596 HydrophobicContact CB-CH2 4.37Å; F591-W596 HydrophobicContact CB-CZ2 3.51Å; F591-W596 AromaticContact CD1-CH2 3.77Å; F591-W596 HydrophobicContact CD1-CH2 3.77Å; F591-W596 AromaticContact CD1-CZ2 3.79Å; F591-W596 HydrophobicContact CD1-CZ2 3.79Å; F591-W596 HydrophobicContact CD2-CH2 4.45Å; F591-W596 HydrophobicContact CD2-CZ2 4.14Å; F591-W596 HydrophobicContact CE1-CH2 4.1Å; F591-W596 AromaticContact CG-CH2 3.96Å; F591-W596 HydrophobicContact CG-CH2 3.96Å; F591-W596 AromaticContact CG-CZ2 3.56Å; F591-W596 HydrophobicContact CG-CZ2 3.56Å; V594-W596 HydrophobicContact CG1-CD2 4.31Å; V594-W596 PolarHBondContact O-N 3.35Å; W596-L599 HydrophobicContact CE3-CD1 4.27Å; W596-M600 WeakPolarHBondContact O-CG 3.44Å; W596-M600 PolarHBondContact O-N 3.17Å
597	A	82.1	Confident	86	Confident	73 Å²	73	77.5 Å²	77.5	60%	0.603	42%	0.42	S	S	*	.	H	α-helix	trans	-81.1	-23.4	177.1	0	0	0	0	0	112.6	D595	D595-A597 PolarHBondContact O-N 2.68Å; D595-A597 WeakPolarHBondContact OD1-CA 3.45Å; D595-A597 VanDerWaalsContact OD1-CB 3.32Å; D595-A597 WeakPolarHBondContact OD1-CB 3.39Å; D595-A597 PolarHBondContact OD1-N 3.37Å
598	E	82.3	Confident	85.5	Confident	126 Å²	126	76.4 Å²	76.4	59%	0.589	40%	0.404	S	S	*	.	H	α-helix	trans	-76.6	-38.7	170.9	-176.7	163.4	-141.6	0	0	111.8	D595 M600 R601	D595-E598 HydrophobicContact CB-CB 4.13Å; D595-E598 PolarHBondContact O-N 3.28Å; D595-E598 VanDerWaalsContact O-N 3.11Å; D595-E598 PolarHBondContact OD1-N 3.11Å; E598-M600 PolarHBondContact O-N 3.11Å; E598-R601 PolarHBondContact O-N 2.81Å
599	L	81.3	Confident	84.7	Confident	53 Å²	53	81.3 Å²	81.3	28%	0.277	43%	0.431	S	S	.	.	H	α-helix	trans	-65.3	-22.9	177.4	-68.2	178.6	0	0	0	113.9	A446 E447 V450 V594 D595 W596	A446-L599 HydrophobicContact CB-CD1 3.45Å; A446-L599 VanDerWaalsContact CB-CD1 3.45Å; E447-L599 HydrophobicContact CG-CD2 3.94Å; V450-L599 HydrophobicContact CG2-CB 4.5Å; V594-L599 HydrophobicContact CG1-CD1 3.53Å; V594-L599 HydrophobicContact CG1-CG 4.43Å; D595-L599 PolarHBondContact O-N 3.06Å; W596-L599 HydrophobicContact CE3-CD1 4.27Å
600	M	72.9	Confident	83.9	Confident	125 Å²	125	81.8 Å²	81.8	62%	0.616	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	10.5	179.3	-68.4	-70.6	-65.2	0	0	113.8	V450 W596 E598	V450-M600 HydrophobicContact CG1-SD 3.51Å; V450-M600 VanDerWaalsContact CG1-SD 3.51Å; V450-M600 HydrophobicContact CG2-SD 4.23Å; W596-M600 WeakPolarHBondContact O-CG 3.44Å; W596-M600 PolarHBondContact O-N 3.17Å; E598-M600 PolarHBondContact O-N 3.11Å
601	R	58.5	Low	82.9	Confident	212 Å²	212	88.9 Å²	88.9	80%	0.8	46%	0.463	S	S	*	.			trans	-130.4	0	-163	-171	-139	48.4	43	23.1	115.2	E598	E598-R601 PolarHBondContact O-N 2.81Å

Retrieved 601 of 601 residues in 233.4 ms (Link to these results)

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