A0A087XX85_POEFO Loading...

Lebercilin LCA5

AlphaFold DB , UniProt , Accession A0A087XX85, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 760 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	K	42.6	Very low	41.3	Very low	269 Å²	269	152.5 Å²	152.5	100%	1.17	80%	0.796	S	S	*	*				0	153.6	0	-103.7	178.9	172.3	179.7	0	108
2	A	35.5	Very low	40.8	Very low	94 Å²	94	152.4 Å²	152.4	78%	0.777	80%	0.796	S	S	*	*			trans	-74.6	160.8	-165.9	0	0	0	0	0	114.4
3	P	65.8	Low	40	Very low	117 Å²	117	148.5 Å²	148.5	76%	0.76	79%	0.789	S	S	*	*			trans	-89.5	-161.5	164.9	39.6	-34.3	0	0	0	111.3
4	E	39.6	Very low	39.7	Very low	177 Å²	177	153.6 Å²	153.6	83%	0.827	79%	0.792	S	S	*	*			trans	125.4	123.5	153.6	-68.3	-169	147.1	0	0	117.1
5	A	44.5	Very low	39.5	Very low	91 Å²	91	155.7 Å²	155.7	75%	0.752	80%	0.797	S	S	*	*			trans	169.9	122.8	147.6	0	0	0	0	0	106.5
6	I	39	Very low	39.1	Very low	128 Å²	128	152 Å²	152	66%	0.656	79%	0.79	S	S	*	*			cis	69.8	123	36.6	-48.3	173.4	0	0	0	109.2
7	E	38.8	Very low	39	Very low	182 Å²	182	156.2 Å²	156.2	85%	0.85	79%	0.793	S	S	*	*			cis	-145.3	-177.7	27.7	-149.8	146.1	-128.8	0	0	115.6
8	D	38	Very low	38.8	Very low	123 Å²	123	160.5 Å²	160.5	66%	0.658	80%	0.798	S	S	*	*			trans	-71.2	168.6	179.7	-140.8	-27.2	0	0	0	114.2
9	N	37.7	Very low	38.7	Very low	161 Å²	161	157 Å²	157	86%	0.861	79%	0.79	S	S	*	*			trans	-161.4	139.3	148.4	-117.2	-76.6	0	0	0	113.4
10	R	37.4	Very low	38.6	Very low	200 Å²	200	155.4 Å²	155.4	76%	0.755	79%	0.789	S	S	*	*			trans	-116.7	135.1	-168.3	-87.9	-177.9	164.7	-174.9	-2.8	114.1
11	I	35.8	Very low	38.3	Very low	135 Å²	135	157.4 Å²	157.4	69%	0.692	79%	0.792	S	S	*	*			trans	41	122.5	131.6	-41.2	163	0	0	0	117.9
12	L	35.5	Very low	38.4	Very low	152 Å²	152	152.8 Å²	152.8	80%	0.796	77%	0.772	S	S	*	*				178.4	163.6	119.5	-98.6	172.7	0	0	0	117.2
13	S	30.1	Very low	38.4	Very low	101 Å²	101	155.5 Å²	155.5	71%	0.706	77%	0.769	S	S	*	*			trans	82.5	113.2	169.4	-144.6	0	0	0	0	116.7
14	R	36.3	Very low	37.1	Very low	220 Å²	220	154.4 Å²	154.4	83%	0.83	76%	0.764	S	S	*	*			cis	86.3	107.7	33.9	-68.3	-176.2	152.6	-154.7	-1.2	116.2
15	Q	35.3	Very low	36.9	Very low	185 Å²	185	157.4 Å²	157.4	86%	0.864	77%	0.768	S	S	*	*				-172.3	132.9	116.3	-95.2	165	55.2	0	0	107.8
16	S	33.9	Very low	36.2	Very low	97 Å²	97	157.8 Å²	157.8	68%	0.678	77%	0.771	S	S	*	*				68.9	125.1	60.9	-143.8	0	0	0	0	111.6
17	R	37.1	Very low	36	Very low	224 Å²	224	156.8 Å²	156.8	85%	0.845	78%	0.776	S	S	*	*			cis	-148.4	149.1	42.7	-79.3	178.9	-179.2	-155	-0.5	111.2
18	R	35.1	Very low	35.9	Very low	233 Å²	233	154 Å²	154	88%	0.879	78%	0.776	S	S	*	*				50.8	138.5	88.3	-76.6	-175.1	-179.3	-166.6	0.9	114.5
19	S	38.2	Very low	35.6	Very low	94 Å²	94	151.4 Å²	151.4	66%	0.657	78%	0.779	S	S	*	*			cis	-177.4	158.3	6.9	41.3	0	0	0	0	116.8
20	T	35.2	Very low	35.4	Very low	124 Å²	124	154.8 Å²	154.8	76%	0.761	78%	0.779	S	S	*	*			trans	75	146.2	140.2	48.4	0	0	0	0	125.4
21	K	34	Very low	35.4	Very low	199 Å²	199	156 Å²	156	87%	0.865	78%	0.784	S	S	*	*			trans	72.1	130.6	166.7	-64.7	171.5	-178.4	-178.9	0	116.1
22	K	44.4	Very low	35.3	Very low	172 Å²	172	158 Å²	158	75%	0.748	79%	0.79	S	S	*	*			cis	92.8	132.3	13.6	-152.4	-147.7	177.2	-151.2	0	115.4
23	E	34.6	Very low	35.6	Very low	150 Å²	150	161.5 Å²	161.5	70%	0.701	79%	0.792	S	S	*	*			trans	76.3	149.2	174.9	-65.4	170.8	-149.3	0	0	116.1
24	S	39.2	Very low	35.8	Very low	94 Å²	94	166 Å²	166	66%	0.657	81%	0.805	S	S	*	*			cis	-168.8	153.3	-13.2	-103.2	0	0	0	0	113.5
25	R	34.5	Very low	35.6	Very low	240 Å²	240	158.5 Å²	158.5	91%	0.906	80%	0.796	S	S	*	*			trans	62.5	142.6	148.8	-77.4	177.1	153.9	166.6	-6.9	123.2
26	A	31.1	Very low	35.7	Very low	100 Å²	100	159.8 Å²	159.8	83%	0.826	80%	0.799	S	S	*	*			trans	68.7	159.3	141.9	0	0	0	0	0	119.4
27	S	34.4	Very low	35.6	Very low	107 Å²	107	159.7 Å²	159.7	75%	0.748	80%	0.798	S	S	*	*			cis	-169	170	-26	-177.2	0	0	0	0	109
28	S	35.8	Very low	35.3	Very low	122 Å²	122	156.7 Å²	156.7	85%	0.853	79%	0.793	S	S	*	*			trans	69.1	158.1	172.9	83.1	0	0	0	0	117
29	G	31.3	Very low	35.1	Very low	70 Å²	70	155 Å²	155	72%	0.722	79%	0.787	S	S	*	*			cis	163.9	163.7	-12.8	0	0	0	0	0	115.3
30	R	34.2	Very low	34.9	Very low	231 Å²	231	158.3 Å²	158.3	87%	0.872	79%	0.792	S	S	*	*			trans	66.4	130.2	172.2	-88.8	178.6	163.5	-112	0.6	119.2
31	R	36.6	Very low	34.8	Very low	227 Å²	227	159.4 Å²	159.4	86%	0.857	79%	0.793	S	S	*	*			trans	-82.6	165.5	165.7	-53.8	166.9	175.5	171.5	-4.6	110.1
32	H	35.3	Very low	34.6	Very low	176 Å²	176	155.6 Å²	155.6	82%	0.815	79%	0.787	S	S	*	*			trans	-133.8	157	143.9	-109.5	-95	0	0	0	111.3
33	R	41.7	Very low	34.1	Very low	225 Å²	225	152.3 Å²	152.3	85%	0.849	79%	0.786	S	S	*	*			trans	-117.5	141.6	179.5	-81.7	178.3	163.8	-179.1	-4.7	110.2
34	M	34.5	Very low	34.1	Very low	195 Å²	195	152 Å²	152	96%	0.961	79%	0.793	S	S	*	*			trans	-173.1	156	135.7	-78.7	-38.1	-171	0	0	107.2
35	G	31.4	Very low	33.6	Very low	63 Å²	63	154.3 Å²	154.3	65%	0.649	80%	0.799	S	S	*	*			cis	147.3	108	-13.3	0	0	0	0	0	113.8
36	K	37.9	Very low	33.5	Very low	212 Å²	212	147.3 Å²	147.3	92%	0.922	79%	0.786	S	S	*	*			trans	69.6	157.8	176.7	-58.5	-179.2	178.9	-177.8	0	115.6
37	S	30.6	Very low	33.5	Very low	95 Å²	95	153.6 Å²	153.6	66%	0.664	79%	0.789	S	S	*	*			cis	-172.4	156.3	-25.5	53.1	0	0	0	0	112.4
38	H	30.9	Very low	33.4	Very low	161 Å²	161	154.7 Å²	154.7	75%	0.745	80%	0.796	S	S	*	*			trans	80	130.9	157.1	-84.3	-53.2	0	0	0	123.3
39	R	32.2	Very low	33.4	Very low	198 Å²	198	158 Å²	158	75%	0.747	80%	0.795	S	S	*	*			trans	69.8	127	142.5	-68.3	-177.5	-171	-134.6	2.6	121.2
40	E	33.3	Very low	33.5	Very low	163 Å²	163	159.2 Å²	159.2	76%	0.762	80%	0.799	S	S	*	*				30.9	134.7	122.2	-60.2	159.8	169.2	0	0	117.4
41	D	32.1	Very low	33.6	Very low	147 Å²	147	154.5 Å²	154.5	79%	0.786	80%	0.796	S	S	*	*			cis	-162	-170.9	26.3	-161.8	-0.8	0	0	0	111.9
42	T	30.1	Very low	33.5	Very low	119 Å²	119	149.8 Å²	149.8	73%	0.73	79%	0.792	S	S	*	*			trans	87.9	116.9	160.3	71.8	0	0	0	0	121
43	S	33.8	Very low	33.7	Very low	104 Å²	104	147.2 Å²	147.2	73%	0.727	79%	0.793	S	S	*	*				34	120	128.1	-163.5	0	0	0	0	120.8
44	V	34.9	Very low	33.4	Very low	142 Å²	142	147.9 Å²	147.9	86%	0.861	80%	0.795	S	S	*	*				-165	125.1	99.8	-91.2	0	0	0	0	114.5
45	D	29.3	Very low	33.4	Very low	144 Å²	144	144.5 Å²	144.5	77%	0.77	79%	0.791	S	S	*	*			trans	14.1	148.1	144.8	-138.2	-19.7	0	0	0	125.4
46	S	32.3	Very low	33.8	Very low	93 Å²	93	147.7 Å²	147.7	65%	0.65	79%	0.793	S	S	*	*			trans	63.2	102.2	140.4	-86.2	0	0	0	0	123
47	R	31.9	Very low	34.2	Very low	232 Å²	232	143.1 Å²	143.1	88%	0.875	79%	0.785	S	S	*	*				-179.5	106.9	92.1	-102.6	175.7	169	163.5	-1.1	114.4
48	S	31.3	Very low	34.8	Very low	129 Å²	129	145.7 Å²	145.7	90%	0.902	79%	0.791	S	S	*	*			trans	-99.1	115.3	165.1	-61.4	0	0	0	0	110.5
49	K	36	Very low	35.5	Very low	191 Å²	191	149.1 Å²	149.1	83%	0.83	80%	0.798	S	S	*	*			trans	-86.9	107.5	171.8	-77.3	-174.2	176.8	-179.8	0	110.2
50	A	32.3	Very low	35.8	Very low	97 Å²	97	147.1 Å²	147.1	80%	0.802	80%	0.802	S	S	*	*			trans	-68.3	143.4	168.4	0	0	0	0	0	111
51	T	38.2	Very low	36.4	Very low	132 Å²	132	150.2 Å²	150.2	81%	0.81	81%	0.806	S	S	*	*			trans	-124.5	121.5	166.8	-61.4	0	0	0	0	108.5	C53	T51-C53 PolarHBondContact O-N 3.37Å
52	T	33.9	Very low	36.3	Very low	127 Å²	127	150.6 Å²	150.6	78%	0.779	81%	0.807	S	S	*	*			trans	-77.8	110.8	-170.1	-35.2	0	0	0	0	111.3
53	C	38.3	Very low	36.7	Very low	122 Å²	122	150.5 Å²	150.5	82%	0.824	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-69	129.9	165.5	-66.9	0	0	0	0	109.1	T51	T51-C53 PolarHBondContact O-N 3.37Å
54	R	36	Very low	37.1	Very low	239 Å²	239	153 Å²	153	90%	0.902	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-85.9	138	171.2	-71.8	-177	173.7	-90.5	0.5	109.3
55	S	34.3	Very low	37.1	Very low	124 Å²	124	149.7 Å²	149.7	87%	0.867	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-65.5	138.4	177.2	-48.4	0	0	0	0	111.6
56	D	40.2	Very low	37.6	Very low	131 Å²	131	152.7 Å²	152.7	70%	0.701	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-95.9	122.1	173.4	-166.1	-6.6	0	0	0	108.2
57	P	47.1	Very low	37.8	Very low	115 Å²	115	151.2 Å²	151.2	75%	0.747	82%	0.819	S	S	*	*	S	Bend	trans	-79	-21.4	-168.5	30.4	-36	0	0	0	114.8	R59	P57-R59 VanDerWaalsContact C-N 3.26Å; P57-R59 PolarHBondContact O-N 2.65Å; P57-R59 VanDerWaalsContact O-N 3.15Å
58	D	41.6	Very low	37.9	Very low	150 Å²	150	152 Å²	152	80%	0.802	82%	0.823	S	S	*	*			trans	-88.2	27.9	-168.6	-68.9	-9.6	0	0	0	113.8	D60	D58-D60 PolarHBondContact O-N 2.6Å
59	R	46.1	Very low	38.2	Very low	233 Å²	233	156.8 Å²	156.8	88%	0.879	82%	0.821	S	S	*	*			trans	-98.5	69.3	-178	-161.5	-169.8	177.6	-169.3	-3	113	P57	P57-R59 VanDerWaalsContact C-N 3.26Å; P57-R59 PolarHBondContact O-N 2.65Å; P57-R59 VanDerWaalsContact O-N 3.15Å
60	D	39.3	Very low	38.2	Very low	155 Å²	155	153.1 Å²	153.1	83%	0.829	82%	0.819	S	S	*	*			trans	-135.1	152.2	170.7	-116.3	-42.9	0	0	0	112.8	D58	D58-D60 PolarHBondContact O-N 2.6Å
61	R	46.3	Very low	38.2	Very low	228 Å²	228	156.3 Å²	156.3	86%	0.86	82%	0.823	S	S	*	*			trans	61.4	66.4	177	-56.6	-171.8	179.2	-153.7	0.9	118
62	I	30	Very low	37.9	Very low	156 Å²	156	153.2 Å²	153.2	80%	0.8	82%	0.817	S	S	*	*				-126.9	128	129.1	-39.6	177.3	0	0	0	106.5
63	S	37.8	Very low	37.9	Very low	116 Å²	116	152.6 Å²	152.6	81%	0.811	82%	0.818	S	S	*	*			trans	-109.8	94.7	-179.7	-178.9	0	0	0	0	109.2	G65	S63-G65 PolarHBondContact O-N 3.16Å; S63-G65 VanDerWaalsContact O-N 3.13Å
64	D	41.8	Very low	37.7	Very low	157 Å²	157	154.4 Å²	154.4	84%	0.84	82%	0.818	S	S	*	*			trans	-64.7	111.8	176.3	-60.9	-38.1	0	0	0	109.5
65	G	35.5	Very low	37.8	Very low	73 Å²	73	151.8 Å²	151.8	75%	0.753	81%	0.81	S	S	*	*			trans	-130.2	26.2	-168.2	0	0	0	0	0	114.3	S63	S63-G65 PolarHBondContact O-N 3.16Å; S63-G65 VanDerWaalsContact O-N 3.13Å
66	E	39.7	Very low	38.1	Very low	207 Å²	207	150.5 Å²	150.5	97%	0.967	80%	0.801	S	S	*	*			trans	-88.7	111.5	-176.6	-163.6	171.6	-114.4	0	0	110.7
67	G	35.8	Very low	37.9	Very low	61 Å²	61	151.5 Å²	151.5	63%	0.629	80%	0.801	S	S	*	*			trans	-167.6	18.2	-160.8	0	0	0	0	0	120.7
68	R	34.7	Very low	37.5	Very low	250 Å²	250	152.4 Å²	152.4	94%	0.943	80%	0.8	S	S	*	*			trans	-160.8	165.9	157.9	-110.9	153	-137.5	-77.9	-1.5	112.8
69	R	37.4	Very low	37.2	Very low	228 Å²	228	154 Å²	154	86%	0.86	80%	0.796	S	S	*	*			trans	-117.6	158.8	-160.6	-63.2	176	169.9	-144	-2.8	112.6
70	S	35.9	Very low	36.8	Very low	115 Å²	115	152 Å²	152	80%	0.804	80%	0.796	S	S	*	*			trans	69.1	153.8	169.4	-48.1	0	0	0	0	113.6
71	D	31.8	Very low	36.5	Very low	164 Å²	164	150.9 Å²	150.9	88%	0.877	79%	0.791	S	S	*	*			cis	-149.3	-178.4	10.2	-153.1	-17	0	0	0	110.2
72	G	31.6	Very low	35.8	Very low	66 Å²	66	144.9 Å²	144.9	68%	0.68	79%	0.79	S	S	*	*			trans	103.4	96.5	157.2	0	0	0	0	0	116.5
73	S	35.6	Very low	36.1	Very low	114 Å²	114	143.7 Å²	143.7	80%	0.797	79%	0.79	S	S	*	*			trans	-61.2	135.9	157.7	168.8	0	0	0	0	111.5
74	L	33.1	Very low	35.8	Very low	160 Å²	160	147.3 Å²	147.3	84%	0.838	79%	0.794	S	S	*	*				-164.9	137.5	120.9	-104	165.6	0	0	0	111.3
75	Y	37.7	Very low	35.2	Very low	185 Å²	185	144.9 Å²	144.9	73%	0.725	79%	0.789	S	S	*	*			trans	-109.5	121.3	177.2	-171.7	-99.5	0	0	0	107.7	E77	Y75-E77 HydrophobicContact CD1-CG 4.35Å; Y75-E77 HydrophobicContact CE1-CG 3.67Å
76	S	40.2	Very low	35	Very low	97 Å²	97	150 Å²	150	68%	0.678	79%	0.794	S	S	*	*			trans	-137	97.8	178.8	-67.6	0	0	0	0	109.4
77	E	36.7	Very low	34.5	Very low	152 Å²	152	152.1 Å²	152.1	71%	0.71	79%	0.793	S	S	*	*			trans	-77.2	123.5	160.5	-61.7	169.4	114.7	0	0	107.8	Y75	Y75-E77 HydrophobicContact CD1-CG 4.35Å; Y75-E77 HydrophobicContact CE1-CG 3.67Å
78	D	38.3	Very low	34.5	Very low	133 Å²	133	153.8 Å²	153.8	71%	0.711	80%	0.795	S	S	*	*			trans	-129.5	95.7	172.9	-94.9	-53.7	0	0	0	111.1
79	Y	36.1	Very low	34.5	Very low	185 Å²	185	150.2 Å²	150.2	73%	0.725	79%	0.794	S	S	*	*			trans	54.3	108.4	153	-72	-82.9	0	0	0	121.2	N81	Y79-N81 HydrophobicContact CD1-CB 4.31Å; Y79-N81 WeakPolarHBondContact CD1-ND2 3.05Å
80	E	37.8	Very low	34	Very low	189 Å²	189	144.6 Å²	144.6	88%	0.883	79%	0.789	S	S	*	*				-67.6	133.9	124.8	-71.5	-164.8	155.9	0	0	109.7
81	N	31.8	Very low	34.3	Very low	133 Å²	133	143.8 Å²	143.8	71%	0.711	78%	0.781	S	S	*	*			trans	-170.3	94.3	152.8	-106.9	-36	0	0	0	111.3	Y79	Y79-N81 HydrophobicContact CD1-CB 4.31Å; Y79-N81 WeakPolarHBondContact CD1-ND2 3.05Å
82	A	33.1	Very low	34.2	Very low	101 Å²	101	145.2 Å²	145.2	84%	0.835	78%	0.78	S	S	*	*			trans	-151.7	46.4	177.5	0	0	0	0	0	113	Q84	A82-Q84 PolarHBondContact O-N 3.21Å
83	T	35.3	Very low	34.2	Very low	132 Å²	132	146.7 Å²	146.7	81%	0.81	78%	0.78	S	S	*	*			trans	-92.7	92.7	-172.4	-25.6	0	0	0	0	113.1
84	Q	32.2	Very low	33.9	Very low	192 Å²	192	149.8 Å²	149.8	90%	0.897	78%	0.782	S	S	*	*			trans	-151.5	146.9	157	-63.9	-171.1	11.7	0	0	109.9	A82	A82-Q84 PolarHBondContact O-N 3.21Å
85	S	27.9	Very low	33.9	Very low	105 Å²	105	148.6 Å²	148.6	73%	0.734	78%	0.781	S	S	*	*			cis	-161.7	140.5	-34.7	-167.6	0	0	0	0	107.4
86	E	32.7	Very low	33.6	Very low	182 Å²	182	147.4 Å²	147.4	85%	0.85	79%	0.786	S	S	*	*			trans	8.1	117.5	164.8	-58.1	179.9	-179	0	0	120.7
87	R	29.1	Very low	33.3	Very low	250 Å²	250	149.1 Å²	149.1	94%	0.943	79%	0.793	S	S	*	*				-159.4	173.1	108.2	-118.6	174.8	174.6	155.4	0.3	113.3
88	S	36.4	Very low	33.5	Very low	97 Å²	97	148.2 Å²	148.2	68%	0.678	80%	0.8	S	S	*	*			trans	-124.6	174	-149.6	53	0	0	0	0	115.4
89	L	33.2	Very low	32.9	Very low	175 Å²	175	147.1 Å²	147.1	92%	0.916	80%	0.803	S	S	*	*			trans	96.2	151.6	167.9	-50.6	-178.3	0	0	0	117.5
90	S	26.7	Very low	33.4	Very low	110 Å²	110	144 Å²	144	77%	0.769	81%	0.806	S	S	*	*			trans	-149.4	166.3	-164.5	174.2	0	0	0	0	107.1
91	P	43.6	Very low	33.4	Very low	97 Å²	97	141 Å²	141	63%	0.63	80%	0.8	S	S	*	*			cis	-121.1	176.7	-6	25.6	-4.4	0	0	0	113.1
92	F	29.5	Very low	33.7	Very low	195 Å²	195	140.6 Å²	140.6	86%	0.855	80%	0.804	S	S	*	*				174.5	162.5	120	-105	-77.1	0	0	0	113.1
93	S	31	Very low	33.7	Very low	96 Å²	96	144.8 Å²	144.8	67%	0.671	81%	0.807	S	S	*	*			trans	-52.3	145.8	-172.8	-42.7	0	0	0	0	117.4
94	Q	30.4	Very low	33.4	Very low	180 Å²	180	150.3 Å²	150.3	84%	0.841	81%	0.813	S	S	*	*				-171.9	140.4	102.3	-99.8	174.4	15	0	0	113.5
95	T	32	Very low	33.3	Very low	134 Å²	134	144.5 Å²	144.5	82%	0.822	80%	0.804	S	S	*	*			trans	-107.5	128.3	172.9	49.5	0	0	0	0	110.2
96	L	31.9	Very low	33.5	Very low	161 Å²	161	148.3 Å²	148.3	84%	0.843	82%	0.815	S	S	*	*			trans	-140.6	108.4	169.2	-76.9	178.4	0	0	0	112.2
97	T	34.5	Very low	33.7	Very low	132 Å²	132	148.8 Å²	148.8	81%	0.81	82%	0.817	S	S	*	*			trans	-95.6	138.9	157.8	46.4	0	0	0	0	109.4
98	P	39.3	Very low	33.7	Very low	134 Å²	134	140.8 Å²	140.8	87%	0.87	81%	0.805	S	S	*	*			trans	-79.8	138.3	178.7	31.9	-33.6	0	0	0	112.1
99	S	27	Very low	33.9	Very low	109 Å²	109	146 Å²	146	76%	0.762	82%	0.815	S	S	*	*			trans	-136.3	139	171.4	-174.1	0	0	0	0	109.5
100	P	46.4	Very low	34	Very low	121 Å²	121	146.3 Å²	146.3	79%	0.786	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-83.3	160.5	-166.7	32.3	-36.3	0	0	0	115.2
101	V	36.5	Very low	34.3	Very low	126 Å²	126	149.3 Å²	149.3	76%	0.764	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-93.2	135.2	-175.2	177.9	0	0	0	0	112.1
102	P	38.7	Very low	33.7	Very low	123 Å²	123	149.3 Å²	149.3	80%	0.799	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-81.6	120.9	170	31.6	-32.4	0	0	0	112.1
103	Q	32.8	Very low	33.9	Very low	190 Å²	190	152 Å²	152	89%	0.888	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-85.6	157	172.2	-72.6	-163.6	1.2	0	0	113.2
104	R	30	Very low	34	Very low	248 Å²	248	152.5 Å²	152.5	94%	0.936	83%	0.828	S	S	*	*			trans	-102.5	85.5	-168.1	-174.3	-167.1	-77	172	-4	113.7
105	G	29	Very low	34.6	Very low	70 Å²	70	149.8 Å²	149.8	72%	0.722	83%	0.826	S	S	*	*			trans	63.1	155.4	140.7	0	0	0	0	0	121.8
106	L	33.8	Very low	35.4	Very low	184 Å²	184	148.6 Å²	148.6	96%	0.963	82%	0.821	S	S	*	*			trans	-147.4	170.8	155.1	-92.1	178.7	0	0	0	108.8
107	Q	36.9	Very low	35.6	Very low	192 Å²	192	150.5 Å²	150.5	90%	0.897	83%	0.825	S	S	*	*			trans	-112.6	160	-174.1	-55.3	-173.5	9.9	0	0	112.9
108	A	28.6	Very low	35.6	Very low	83 Å²	83	153.6 Å²	153.6	69%	0.686	83%	0.827	S	S	*	*				173.8	162.3	104.1	0	0	0	0	0	115.3
109	K	40.6	Very low	35.5	Very low	205 Å²	205	156.1 Å²	156.1	89%	0.891	83%	0.832	S	S	*	*			trans	76.8	140.7	161.2	-64	174.8	-177.1	175.2	0	119.4
110	Q	34.2	Very low	35.7	Very low	182 Å²	182	161.7 Å²	161.7	85%	0.85	84%	0.837	S	S	*	*			trans	-119.3	155.8	168	-67.7	-176.2	-19.8	0	0	109.4
111	I	33.5	Very low	35.1	Very low	173 Å²	173	159.6 Å²	159.6	89%	0.887	84%	0.838	S	S	*	*			trans	-137.3	153.7	141.5	-78.7	104.8	0	0	0	107.2
112	S	32.3	Very low	35.1	Very low	98 Å²	98	159.4 Å²	159.4	69%	0.685	84%	0.836	S	S	*	*			trans	-114.5	164	-173.9	62.1	0	0	0	0	113.6
113	R	32.8	Very low	34.7	Very low	251 Å²	251	156.8 Å²	156.8	95%	0.947	83%	0.832	S	S	*	*			trans	-159.5	154.4	142.3	-103.8	151.9	-164.2	-104.5	2.3	110.5
114	S	32.3	Very low	34.9	Very low	107 Å²	107	157.4 Å²	157.4	75%	0.748	83%	0.826	S	S	*	*			trans	-134.4	170.2	-175.8	66.5	0	0	0	0	109.1
115	P	43.8	Very low	34.9	Very low	122 Å²	122	155.3 Å²	155.3	79%	0.792	82%	0.818	S	S	*	*				-149.3	173.9	72.6	37.7	-16.9	0	0	0	116.6
116	P	47.9	Very low	34.9	Very low	110 Å²	110	158.4 Å²	158.4	71%	0.714	82%	0.818	S	S	*	*			trans	-115.1	162.5	-178.7	40.8	-32.1	0	0	0	115.7
117	H	36	Very low	35	Very low	200 Å²	200	154.7 Å²	154.7	93%	0.926	81%	0.814	S	S	*	*			trans	-88.2	163.9	164.8	-94.4	-96.8	0	0	0	113.1
118	K	36.1	Very low	34.9	Very low	197 Å²	197	151 Å²	151	86%	0.857	81%	0.809	S	S	*	*			trans	-115.7	145.5	-167.3	-58.3	169.7	-175.5	166.3	0	112.7
119	L	36.9	Very low	35.3	Very low	187 Å²	187	158 Å²	158	98%	0.979	82%	0.818	S	S	*	*			trans	-140.4	151.6	147	-107.7	146.6	0	0	0	108.7
120	R	30.4	Very low	35.3	Very low	226 Å²	226	153.8 Å²	153.8	85%	0.853	81%	0.811	S	S	*	*			trans	-128.9	116.3	-164.1	172.2	-173	-86.9	-128.4	0.1	111.3
121	G	33.3	Very low	35.4	Very low	78 Å²	78	153.4 Å²	153.4	80%	0.804	81%	0.81	S	S	*	*			trans	-114.9	146.2	157.8	0	0	0	0	0	110.1
122	V	36.3	Very low	35.5	Very low	122 Å²	122	156.7 Å²	156.7	74%	0.739	81%	0.811	S	S	*	*			trans	-108.3	144.8	-178.6	-178.7	0	0	0	0	108.1
123	G	31.3	Very low	35.8	Very low	68 Å²	68	157.6 Å²	157.6	70%	0.701	81%	0.814	S	S	*	*			cis	-174.8	-170.5	-1.1	0	0	0	0	0	107.6
124	R	36.2	Very low	35.9	Very low	203 Å²	203	149.9 Å²	149.9	77%	0.766	80%	0.804	S	S	*	*			cis	-150.8	142.8	3	-86.2	-171.9	179.4	-107.2	4.9	110.1
125	W	29.6	Very low	36.1	Very low	203 Å²	203	148.7 Å²	148.7	77%	0.769	81%	0.809	S	S	*	*			trans	68.3	134.9	139	-71.6	49.3	0	0	0	121.7
126	N	29.7	Very low	36.1	Very low	136 Å²	136	149.7 Å²	149.7	73%	0.727	81%	0.807	S	S	*	*			trans	69.7	93.6	150.6	-60.4	0	0	0	0	120.3
127	A	35.4	Very low	35.6	Very low	106 Å²	106	149.9 Å²	149.9	88%	0.876	81%	0.808	S	S	*	*			trans	-140.7	55	155.3	0	0	0	0	0	111.6	R129	A127-R129 PolarHBondContact O-N 3.36Å
128	S	35.6	Very low	35.8	Very low	113 Å²	113	147.6 Å²	147.6	79%	0.79	80%	0.802	S	S	*	*			trans	-64	124.7	174.5	-65.1	0	0	0	0	111.1	P130	S128-P130 VanDerWaalsContact O-CD 3.28Å; S128-P130 WeakPolarHBondContact O-CD 3.4Å
129	R	36.8	Very low	36.1	Very low	230 Å²	230	143.7 Å²	143.7	87%	0.868	79%	0.794	S	S	*	*			trans	-34.4	111.5	170.1	177.5	-166.9	-171.2	-145.7	8.8	113.1	A127	A127-R129 PolarHBondContact O-N 3.36Å
130	P	40.5	Very low	36.3	Very low	117 Å²	117	143.3 Å²	143.3	76%	0.76	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-64.8	141.4	163	-19.2	33.3	0	0	0	110.3	S128	S128-P130 VanDerWaalsContact O-CD 3.28Å; S128-P130 WeakPolarHBondContact O-CD 3.4Å
131	Q	36.1	Very low	36.7	Very low	174 Å²	174	139.7 Å²	139.7	81%	0.813	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-67	160.9	169.5	-66.1	167.2	-24.1	0	0	110.3	P133	Q131-P133 VanDerWaalsContact O-CD 3.29Å; Q131-P133 WeakPolarHBondContact O-CD 3.45Å
132	R	35.3	Very low	37.2	Very low	242 Å²	242	142.2 Å²	142.2	91%	0.913	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-62.9	125	159.2	-82.9	-179.5	170.7	173.4	-4.4	108.5
133	P	38.9	Very low	37.5	Very low	117 Å²	117	147.4 Å²	147.4	76%	0.76	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-68.3	144.2	150.2	-8.7	27.1	0	0	0	108.4	Q131	Q131-P133 VanDerWaalsContact O-CD 3.29Å; Q131-P133 WeakPolarHBondContact O-CD 3.45Å
134	A	35.1	Very low	38.1	Very low	89 Å²	89	153.4 Å²	153.4	74%	0.736	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-68.3	140.7	168.7	0	0	0	0	0	110	L136	A134-L136 PolarHBondContact O-N 3.17Å
135	G	36.7	Very low	38.3	Very low	83 Å²	83	146.2 Å²	146.2	86%	0.856	78%	0.777	S	S	*	*			trans	-76.7	63.6	179.9	0	0	0	0	0	113.4
136	L	43.9	Very low	38.7	Very low	143 Å²	143	143.9 Å²	143.9	75%	0.749	78%	0.78	S	S	*	*			trans	-75.1	135.4	160.5	-76.7	169.3	0	0	0	108.8	A134 I138	A134-L136 PolarHBondContact O-N 3.17Å; L136-I138 VanDerWaalsContact C-N 3.32Å; L136-I138 PolarHBondContact O-N 2.85Å
137	P	38.2	Very low	39.3	Very low	113 Å²	113	148.2 Å²	148.2	73%	0.734	79%	0.786	S	S	*	*			trans	-71.3	91.9	171.4	29.9	-32.7	0	0	0	108.8	T139	P137-T139 PolarHBondContact O-N 3.4Å
138	I	39.8	Very low	39.7	Very low	153 Å²	153	147.8 Å²	147.8	79%	0.785	78%	0.777	S	S	*	*			trans	-65.1	93	161	-65.1	178.9	0	0	0	106.3	L136 Q140	L136-I138 VanDerWaalsContact C-N 3.32Å; L136-I138 PolarHBondContact O-N 2.85Å; I138-Q140 PolarHBondContact O-N 3.04Å
139	T	41.2	Very low	40.2	Very low	115 Å²	115	150.3 Å²	150.3	71%	0.706	78%	0.776	S	S	*	*			trans	-50	126.6	157.2	46	0	0	0	0	106.8	P137 H141	P137-T139 PolarHBondContact O-N 3.4Å; T139-H141 PolarHBondContact O-N 2.89Å
140	Q	41.6	Very low	40.5	Very low	179 Å²	179	144.4 Å²	144.4	84%	0.836	77%	0.77	S	S	*	*			trans	-68.2	88.9	171.1	-82.1	-169.7	-15.9	0	0	107.8	I138 N142	I138-Q140 PolarHBondContact O-N 3.04Å; Q140-N142 PolarHBondContact O-N 2.75Å
141	H	39.2	Very low	40.5	Very low	150 Å²	150	147.7 Å²	147.7	69%	0.694	77%	0.772	S	S	*	*			trans	-57.6	93.7	164.2	176.9	-65.2	0	0	0	106.9	T139 R143	T139-H141 PolarHBondContact O-N 2.89Å; H141-R143 PolarHBondContact O-N 3.44Å
142	N	43.8	Very low	40.7	Very low	130 Å²	130	148.3 Å²	148.3	70%	0.695	78%	0.775	S	S	*	*			trans	-52.7	106.1	175.7	-101.4	-56.4	0	0	0	107.9	Q140 K144	Q140-N142 PolarHBondContact O-N 2.75Å; N142-K144 PolarHBondContact O-N 3.24Å
143	R	43.6	Very low	41.1	Very low	231 Å²	231	141 Å²	141	87%	0.872	76%	0.761	S	S	*	*			trans	-72.1	66.8	171.3	-75.8	-173.6	173	-174	-1.8	109.7	H141 G145	H141-R143 PolarHBondContact O-N 3.44Å; R143-G145 VanDerWaalsContact O-CA 3.24Å; R143-G145 WeakPolarHBondContact O-CA 3.49Å; R143-G145 PolarHBondContact O-N 3.36Å
144	K	42.1	Very low	41.7	Very low	194 Å²	194	141.2 Å²	141.2	84%	0.843	76%	0.761	S	S	*	*				-61.9	86.2	128.4	-63.3	178.5	-177.9	177.6	0	103.9	N142	N142-K144 PolarHBondContact O-N 3.24Å
145	G	40.4	Very low	42.8	Very low	52 Å²	52	143 Å²	143	54%	0.536	76%	0.757	S	S	.	*			cis	85.2	111.8	39.6	0	0	0	0	0	104.6	R143 R147	R143-G145 VanDerWaalsContact O-CA 3.24Å; R143-G145 WeakPolarHBondContact O-CA 3.49Å; R143-G145 PolarHBondContact O-N 3.36Å; G145-R147 PolarHBondContact O-N 3.42Å
146	N	38	Very low	43.7	Very low	154 Å²	154	143.5 Å²	143.5	82%	0.824	75%	0.745	S	S	*	*			trans	-47.6	133.1	-152.7	-60.3	3.3	0	0	0	112.1	S148	N146-S148 PolarHBondContact O-N 3.16Å
147	R	42.3	Very low	44.4	Very low	228 Å²	228	145.6 Å²	145.6	86%	0.86	75%	0.748	S	S	*	*			trans	-68.9	76	165.1	-174.4	-176.3	178.5	-175.2	-0.2	107.7	G145 Q149	G145-R147 PolarHBondContact O-N 3.42Å; R147-Q149 PolarHBondContact O-N 2.85Å
148	S	45.1	Very low	45.5	Very low	97 Å²	97	147.6 Å²	147.6	68%	0.678	75%	0.753	S	S	*	*			trans	-49.9	127.7	167.6	-62.9	0	0	0	0	107.4	N146 S150	N146-S148 PolarHBondContact O-N 3.16Å; S148-S150 PolarHBondContact O-N 3.33Å
149	Q	45.3	Very low	46.7	Very low	165 Å²	165	143 Å²	143	77%	0.771	73%	0.729	S	S	*	*			trans	-70.8	72.9	173.2	-68	-72.9	15.5	0	0	108.4	R147 K151	R147-Q149 PolarHBondContact O-N 2.85Å; Q149-K151 PolarHBondContact O-N 2.91Å; Q149-K151 VanDerWaalsContact O-N 3.12Å
150	S	43.1	Very low	48.6	Very low	107 Å²	107	141.6 Å²	141.6	75%	0.748	72%	0.718	S	S	*	*			trans	-62.2	113.3	166.3	-175	0	0	0	0	106.2	S148 E152	S148-S150 PolarHBondContact O-N 3.33Å; S150-E152 PolarHBondContact O-N 3.29Å
151	K	40.6	Very low	50.8	Low	186 Å²	186	137.8 Å²	137.8	81%	0.809	70%	0.703	S	S	*	*			trans	-46.8	127.4	178.4	-60.8	174.3	-178.8	179.6	0	108.5	Q149 S153	Q149-K151 PolarHBondContact O-N 2.91Å; Q149-K151 VanDerWaalsContact O-N 3.12Å; K151-S153 PolarHBondContact O-N 2.85Å
152	E	41.3	Very low	53.2	Low	186 Å²	186	135.5 Å²	135.5	87%	0.869	70%	0.699	S	S	*	*			trans	-77.4	68.1	174.3	-171.5	147.4	-166.4	0	0	109.6	S150 T154	S150-E152 PolarHBondContact O-N 3.29Å; E152-T154 PolarHBondContact O-N 2.78Å; E152-T154 VanDerWaalsContact O-N 3.14Å
153	S	43	Very low	55.3	Low	89 Å²	89	131.3 Å²	131.3	62%	0.622	68%	0.678	S	S	*	*			trans	-67.6	103.7	159.6	54.6	0	0	0	0	106.7	K151 L155	K151-S153 PolarHBondContact O-N 2.85Å; S153-L155 PolarHBondContact O-N 3.31Å
154	T	51.1	Low	57.4	Low	122 Å²	122	125 Å²	125	75%	0.748	66%	0.657	S	S	*	*			trans	-51.9	113.8	170.3	37.6	0	0	0	0	108.7	E152	E152-T154 PolarHBondContact O-N 2.78Å; E152-T154 VanDerWaalsContact O-N 3.14Å
155	L	59.5	Low	59.7	Low	127 Å²	127	123.4 Å²	123.4	67%	0.665	65%	0.645	S	S	*	*			trans	-60.4	130.1	-178.7	-71.4	173.4	0	0	0	109	S153 K157 L159	S153-L155 PolarHBondContact O-N 3.31Å; L155-K157 PolarHBondContact O-N 2.8Å; L155-L159 HydrophobicContact CB-CD1 4.08Å; L155-L159 HydrophobicContact CD1-CD1 4.43Å; L155-L159 HydrophobicContact CD2-CD1 4.39Å
156	P	53.7	Low	62.2	Low	93 Å²	93	124.9 Å²	124.9	60%	0.604	64%	0.64	S	S	*	*			trans	-53.8	126.7	174	-26.4	35.1	0	0	0	109.7	D158 L159	P156-D158 PolarHBondContact O-N 3.25Å; P156-D158 VanDerWaalsContact O-N 3.15Å; P156-L159 PolarHBondContact O-N 2.85Å
157	K	58.8	Low	64.8	Low	187 Å²	187	121.9 Å²	121.9	81%	0.813	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-24.1	-175.7	-66.4	177.6	-179.4	175.7	0	111.2	L155 L159 K164	L155-K157 PolarHBondContact O-N 2.8Å; K157-L159 VanDerWaalsContact C-N 3.26Å; K157-L159 PolarHBondContact O-N 3Å; K157-K164 PolarHBondContact O-NZ 2.96Å
158	D	62.7	Low	67	Low	155 Å²	155	114 Å²	114	83%	0.829	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	31.2	175.9	-52.1	-43.4	0	0	0	114.4	P156 D160	P156-D158 PolarHBondContact O-N 3.25Å; P156-D158 VanDerWaalsContact O-N 3.15Å; D158-D160 PolarHBondContact O-N 3.3Å
159	L	64.4	Low	69.3	Low	56 Å²	56	112 Å²	112	29%	0.293	59%	0.592	S	S	.	*			trans	-57.5	122.8	159.1	-89.8	155.1	0	0	0	109.7	L155 P156 K157 K164	L155-L159 HydrophobicContact CB-CD1 4.08Å; L155-L159 HydrophobicContact CD1-CD1 4.43Å; L155-L159 HydrophobicContact CD2-CD1 4.39Å; P156-L159 PolarHBondContact O-N 2.85Å; K157-L159 VanDerWaalsContact C-N 3.26Å; K157-L159 PolarHBondContact O-N 3Å; L159-K164 HydrophobicContact CB-CD 4.48Å; L159-K164 HydrophobicContact CB-CG 4.2Å; L159-K164 VanDerWaalsContact O-CD 3.26Å; L159-K164 WeakPolarHBondContact O-CD 3.49Å; L159-K164 WeakPolarHBondContact O-CE 3.35Å; L159-K164 PolarHBondContact O-NZ 2.92Å
160	D	81.4	Confident	71.7	Confident	86 Å²	86	111 Å²	111	46%	0.46	58%	0.581	S	S	.	*			trans	-56.1	150.2	-177.9	157.1	64.5	0	0	0	112.8	D158 V162 T163 K164	D158-D160 PolarHBondContact O-N 3.3Å; D160-V162 VanDerWaalsContact C-N 3.29Å; D160-V162 PolarHBondContact O-N 2.97Å; D160-V162 WeakPolarHBondContact OD2-CA 3.46Å; D160-V162 WeakPolarHBondContact OD2-CB 3.28Å; D160-V162 PolarHBondContact OD2-N 2.97Å; D160-T163 HydrophobicContact CB-CG2 4.22Å; D160-T163 PolarHBondContact N-OG1 3.31Å; D160-T163 PolarHBondContact O-N 3.19Å; D160-T163 PolarHBondContact O-OG1 2.76Å; D160-T163 PolarHBondContact OD2-N 3.46Å; D160-K164 PolarHBondContact O-N 3.36Å
161	L	86.9	Confident	74.2	Confident	99 Å²	99	110.5 Å²	110.5	52%	0.518	57%	0.57	S	S	.	*	H	α-helix	trans	-59.5	-34.9	-177.5	-177	60.6	0	0	0	112.9	R165	L161-R165 WeakPolarHBondContact O-CB 3.37Å; L161-R165 VanDerWaalsContact O-CG 3.27Å; L161-R165 WeakPolarHBondContact O-CG 3.31Å; L161-R165 PolarHBondContact O-N 2.99Å
162	V	89.7	Confident	76.8	Confident	101 Å²	101	107.5 Å²	107.5	61%	0.612	56%	0.561	S	S	*	*	H	α-helix	trans	-68.5	-41.6	175.2	-168.9	0	0	0	0	110.1	D160 R165 M166	D160-V162 VanDerWaalsContact C-N 3.29Å; D160-V162 PolarHBondContact O-N 2.97Å; D160-V162 WeakPolarHBondContact OD2-CA 3.46Å; D160-V162 WeakPolarHBondContact OD2-CB 3.28Å; D160-V162 PolarHBondContact OD2-N 2.97Å; V162-R165 PolarHBondContact O-N 2.82Å; V162-M166 WeakPolarHBondContact O-CB 3.39Å; V162-M166 PolarHBondContact O-N 3.25Å
163	T	87.5	Confident	79.4	Confident	42 Å²	42	103.3 Å²	103.3	26%	0.258	54%	0.541	S	S	.	.	H	α-helix	trans	-64	-42.4	175.8	73.9	0	0	0	0	112.4	D160 M166 L167	D160-T163 HydrophobicContact CB-CG2 4.22Å; D160-T163 PolarHBondContact N-OG1 3.31Å; D160-T163 PolarHBondContact O-N 3.19Å; D160-T163 PolarHBondContact O-OG1 2.76Å; D160-T163 PolarHBondContact OD2-N 3.46Å; T163-M166 PolarHBondContact O-N 2.79Å; T163-L167 WeakPolarHBondContact O-CB 3.25Å; T163-L167 WeakPolarHBondContact O-CG 3.35Å; T163-L167 PolarHBondContact O-N 3.44Å
164	K	89.4	Confident	81.9	Confident	98 Å²	98	102.9 Å²	102.9	43%	0.426	53%	0.53	S	S	.	.	H	α-helix	trans	-60.5	-46.2	174.8	-75.8	169	172.8	147.7	0	111.4	K157 L159 D160 L167 S168	K157-K164 PolarHBondContact O-NZ 2.96Å; L159-K164 HydrophobicContact CB-CD 4.48Å; L159-K164 HydrophobicContact CB-CG 4.2Å; L159-K164 VanDerWaalsContact O-CD 3.26Å; L159-K164 WeakPolarHBondContact O-CD 3.49Å; L159-K164 WeakPolarHBondContact O-CE 3.35Å; L159-K164 PolarHBondContact O-NZ 2.92Å; D160-K164 PolarHBondContact O-N 3.36Å; K164-L167 PolarHBondContact O-N 2.97Å; K164-S168 PolarHBondContact O-N 3.22Å; K164-S168 PolarHBondContact O-OG 2.72Å
165	R	89.7	Confident	84.1	Confident	161 Å²	161	100 Å²	100	61%	0.608	51%	0.51	S	S	*	.	H	α-helix	trans	-63.1	-41.3	174.8	-74.5	172.5	176.6	177.1	-0.3	112.9	L161 V162 S168 A169	L161-R165 WeakPolarHBondContact O-CB 3.37Å; L161-R165 VanDerWaalsContact O-CG 3.27Å; L161-R165 WeakPolarHBondContact O-CG 3.31Å; L161-R165 PolarHBondContact O-N 2.99Å; V162-R165 PolarHBondContact O-N 2.82Å; R165-S168 PolarHBondContact O-N 3.37Å; R165-S168 PolarHBondContact O-OG 2.94Å; R165-A169 WeakPolarHBondContact O-CB 3.41Å; R165-A169 PolarHBondContact O-N 3.28Å
166	M	93.7	Very high	85.9	Confident	84 Å²	84	98.6 Å²	98.6	41%	0.414	50%	0.501	S	S	.	.	H	α-helix	trans	-64.3	-42.2	176.9	177.4	178.3	58	0	0	111.5	V162 T163 A169 R170	V162-M166 WeakPolarHBondContact O-CB 3.39Å; V162-M166 PolarHBondContact O-N 3.25Å; T163-M166 PolarHBondContact O-N 2.79Å; M166-A169 PolarHBondContact O-N 3.43Å; M166-R170 WeakPolarHBondContact O-CB 3.36Å; M166-R170 VanDerWaalsContact O-CG 3.28Å; M166-R170 WeakPolarHBondContact O-CG 3.44Å; M166-R170 PolarHBondContact O-N 3.35Å; M166-R170 PolarHBondContact SD-NH2 3.37Å; M166-R170 VanDerWaalsContact SD-NH2 3.37Å
167	L	90.6	Very high	87.9	Confident	90 Å²	90	98.7 Å²	98.7	47%	0.471	50%	0.495	S	S	.	.	H	α-helix	trans	-68.5	-38.8	177.7	-70.2	172.9	0	0	0	112	T163 K164 R170 L171	T163-L167 WeakPolarHBondContact O-CB 3.25Å; T163-L167 WeakPolarHBondContact O-CG 3.35Å; T163-L167 PolarHBondContact O-N 3.44Å; K164-L167 PolarHBondContact O-N 2.97Å; L167-R170 PolarHBondContact O-N 2.86Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 PolarHBondContact O-N 3.41Å
168	S	90.2	Very high	89.7	Confident	62 Å²	62	96.8 Å²	96.8	43%	0.434	48%	0.483	S	S	.	.	H	α-helix	trans	-66.7	-41.1	173.7	64.7	0	0	0	0	112.2	K164 R165 R170 L171 L172	K164-S168 PolarHBondContact O-N 3.22Å; K164-S168 PolarHBondContact O-OG 2.72Å; R165-S168 PolarHBondContact O-N 3.37Å; R165-S168 PolarHBondContact O-OG 2.94Å; S168-R170 PolarHBondContact O-N 3.06Å; S168-L171 PolarHBondContact O-N 2.85Å; S168-L172 WeakPolarHBondContact O-CG 3.36Å; S168-L172 PolarHBondContact O-N 2.84Å
169	A	93.3	Very high	91.4	Very high	55 Å²	55	94 Å²	94	46%	0.455	47%	0.468	S	S	.	.	H	α-helix	trans	-62.4	-41	174.7	0	0	0	0	0	112.2	R165 M166 L172 K173	R165-A169 WeakPolarHBondContact O-CB 3.41Å; R165-A169 PolarHBondContact O-N 3.28Å; M166-A169 PolarHBondContact O-N 3.43Å; A169-L172 PolarHBondContact O-N 3.47Å; A169-K173 PolarHBondContact O-N 2.73Å
170	R	94.9	Very high	92.9	Very high	146 Å²	146	93.2 Å²	93.2	55%	0.551	47%	0.467	S	S	*	.	H	α-helix	trans	-62.9	-41.6	172.5	-74.2	172.9	-179.2	-173.8	1	112	M166 L167 S168 K173 I174	M166-R170 WeakPolarHBondContact O-CB 3.36Å; M166-R170 VanDerWaalsContact O-CG 3.28Å; M166-R170 WeakPolarHBondContact O-CG 3.44Å; M166-R170 PolarHBondContact O-N 3.35Å; M166-R170 PolarHBondContact SD-NH2 3.37Å; M166-R170 VanDerWaalsContact SD-NH2 3.37Å; L167-R170 PolarHBondContact O-N 2.86Å; S168-R170 PolarHBondContact O-N 3.06Å; R170-K173 PolarHBondContact O-N 3.21Å; R170-I174 WeakPolarHBondContact O-CB 3.34Å; R170-I174 WeakPolarHBondContact O-CD1 3.34Å; R170-I174 WeakPolarHBondContact O-CG1 3.38Å; R170-I174 PolarHBondContact O-N 2.88Å
171	L	95.4	Very high	93.7	Very high	96 Å²	96	93.4 Å²	93.4	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-65.8	-41.6	176.6	-179.3	60	0	0	0	112.2	L167 S168 I174 N175	L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 PolarHBondContact O-N 3.41Å; S168-L171 PolarHBondContact O-N 2.85Å; L171-I174 PolarHBondContact O-N 2.94Å; L171-N175 PolarHBondContact O-N 2.88Å
172	L	95.2	Very high	94.2	Very high	122 Å²	122	91.3 Å²	91.3	64%	0.639	47%	0.465	S	S	*	.	H	α-helix	trans	-59.6	-47.4	172.9	-72.7	171.9	0	0	0	110.9	S168 A169 I174 N175 E176	S168-L172 WeakPolarHBondContact O-CG 3.36Å; S168-L172 PolarHBondContact O-N 2.84Å; A169-L172 PolarHBondContact O-N 3.47Å; L172-I174 VanDerWaalsContact C-N 3.34Å; L172-I174 PolarHBondContact O-N 3.16Å; L172-N175 PolarHBondContact O-N 2.93Å; L172-N175 VanDerWaalsContact O-N 3.1Å; L172-E176 WeakPolarHBondContact O-CB 3.5Å; L172-E176 PolarHBondContact O-N 2.95Å
173	K	96.8	Very high	94.6	Very high	99 Å²	99	91.6 Å²	91.6	43%	0.43	46%	0.459	S	S	.	.	H	α-helix	trans	-64.2	-36.6	177	-169.1	52.9	160.8	-176.2	0	112.9	A169 R170 N175 E176 L177	A169-K173 PolarHBondContact O-N 2.73Å; R170-K173 PolarHBondContact O-N 3.21Å; K173-N175 VanDerWaalsContact C-N 3.31Å; K173-N175 PolarHBondContact O-N 3.08Å; K173-E176 HydrophobicContact CD-CB 4.43Å; K173-E176 WeakPolarHBondContact CD-OE2 3.32Å; K173-E176 WeakPolarHBondContact CE-OE2 3.2Å; K173-E176 IonicContact NZ-OE1 2.62Å; K173-E176 PolarHBondContact NZ-OE1 3.04Å; K173-E176 IonicContact NZ-OE2 2.73Å; K173-E176 PolarHBondContact NZ-OE2 2.96Å; K173-E176 PolarHBondContact O-N 3.29Å; K173-L177 HydrophobicContact CD-CG 4.42Å; K173-L177 HydrophobicContact CG-CD1 4.24Å; K173-L177 WeakPolarHBondContact O-CB 3.44Å; K173-L177 VanDerWaalsContact O-CG 3.24Å; K173-L177 WeakPolarHBondContact O-CG 3.42Å; K173-L177 PolarHBondContact O-N 3.19Å
174	I	95.5	Very high	95.1	Very high	79 Å²	79	94.8 Å²	94.8	41%	0.405	48%	0.475	S	S	.	.	H	α-helix	trans	-64.3	-36.6	173	-74.1	165	0	0	0	111.2	R170 L171 L172 R178	R170-I174 WeakPolarHBondContact O-CB 3.34Å; R170-I174 WeakPolarHBondContact O-CD1 3.34Å; R170-I174 WeakPolarHBondContact O-CG1 3.38Å; R170-I174 PolarHBondContact O-N 2.88Å; L171-I174 PolarHBondContact O-N 2.94Å; L172-I174 VanDerWaalsContact C-N 3.34Å; L172-I174 PolarHBondContact O-N 3.16Å; I174-R178 WeakPolarHBondContact O-CD 3.42Å; I174-R178 WeakPolarHBondContact O-CG 3.44Å; I174-R178 PolarHBondContact O-N 3.43Å
175	N	96.4	Very high	95.4	Very high	62 Å²	62	96.3 Å²	96.3	33%	0.332	48%	0.481	S	S	.	.	H	α-helix	trans	-75.4	-39.5	176.5	-70.3	-16.4	0	0	0	112.1	L171 L172 K173 L177 R178 N179	L171-N175 PolarHBondContact O-N 2.88Å; L172-N175 PolarHBondContact O-N 2.93Å; L172-N175 VanDerWaalsContact O-N 3.1Å; K173-N175 VanDerWaalsContact C-N 3.31Å; K173-N175 PolarHBondContact O-N 3.08Å; N175-L177 VanDerWaalsContact C-N 3.35Å; N175-L177 PolarHBondContact O-N 3.32Å; N175-R178 WeakPolarHBondContact O-CB 3.42Å; N175-R178 PolarHBondContact O-N 2.91Å; N175-R178 VanDerWaalsContact O-N 3.08Å; N175-R178 PolarHBondContact OD1-NH1 2.96Å; N175-N179 VanDerWaalsContact O-CG 3.3Å; N175-N179 PolarHBondContact O-N 3.07Å; N175-N179 PolarHBondContact O-OD1 2.87Å
176	E	97	Very high	95.8	Very high	98 Å²	98	94.2 Å²	94.2	46%	0.458	48%	0.478	S	S	.	.	H	α-helix	trans	-55.9	-47.7	170.4	-170.1	-145.7	113.8	0	0	111.3	L172 K173 R178 N179 S180	L172-E176 WeakPolarHBondContact O-CB 3.5Å; L172-E176 PolarHBondContact O-N 2.95Å; K173-E176 HydrophobicContact CD-CB 4.43Å; K173-E176 WeakPolarHBondContact CD-OE2 3.32Å; K173-E176 WeakPolarHBondContact CE-OE2 3.2Å; K173-E176 IonicContact NZ-OE1 2.62Å; K173-E176 PolarHBondContact NZ-OE1 3.04Å; K173-E176 IonicContact NZ-OE2 2.73Å; K173-E176 PolarHBondContact NZ-OE2 2.96Å; K173-E176 PolarHBondContact O-N 3.29Å; E176-R178 VanDerWaalsContact C-N 3.29Å; E176-R178 PolarHBondContact O-N 3.13Å; E176-N179 PolarHBondContact O-N 3.39Å; E176-S180 PolarHBondContact O-N 2.94Å; E176-S180 PolarHBondContact O-OG 3.18Å
177	L	97.3	Very high	96	Very high	94 Å²	94	95.3 Å²	95.3	49%	0.492	48%	0.482	S	S	.	.	H	α-helix	trans	-68.8	-21.9	175.7	-69.4	172.4	0	0	0	113.6	K173 N175 L181	K173-L177 HydrophobicContact CD-CG 4.42Å; K173-L177 HydrophobicContact CG-CD1 4.24Å; K173-L177 WeakPolarHBondContact O-CB 3.44Å; K173-L177 VanDerWaalsContact O-CG 3.24Å; K173-L177 WeakPolarHBondContact O-CG 3.42Å; K173-L177 PolarHBondContact O-N 3.19Å; N175-L177 VanDerWaalsContact C-N 3.35Å; N175-L177 PolarHBondContact O-N 3.32Å; L177-L181 WeakPolarHBondContact O-CB 3.41Å; L177-L181 PolarHBondContact O-N 2.87Å
178	R	96.4	Very high	96.4	Very high	147 Å²	147	95.1 Å²	95.1	56%	0.555	48%	0.482	S	S	*	.	H	α-helix	trans	-77.9	-38.4	171.1	-77.3	162.2	177.9	164.1	-1.1	111.5	I174 N175 E176 A182	I174-R178 WeakPolarHBondContact O-CD 3.42Å; I174-R178 WeakPolarHBondContact O-CG 3.44Å; I174-R178 PolarHBondContact O-N 3.43Å; N175-R178 WeakPolarHBondContact O-CB 3.42Å; N175-R178 PolarHBondContact O-N 2.91Å; N175-R178 VanDerWaalsContact O-N 3.08Å; N175-R178 PolarHBondContact OD1-NH1 2.96Å; E176-R178 VanDerWaalsContact C-N 3.29Å; E176-R178 PolarHBondContact O-N 3.13Å; R178-A182 WeakPolarHBondContact O-CB 3.34Å; R178-A182 PolarHBondContact O-N 3.43Å
179	N	97.2	Very high	96.8	Very high	97 Å²	97	96 Å²	96	52%	0.519	48%	0.481	S	S	.	.	H	α-helix	trans	-66.3	-52.1	177.6	-68.5	3.9	0	0	0	110.2	N175 E176 L181 A182 E183	N175-N179 VanDerWaalsContact O-CG 3.3Å; N175-N179 PolarHBondContact O-N 3.07Å; N175-N179 PolarHBondContact O-OD1 2.87Å; E176-N179 PolarHBondContact O-N 3.39Å; N179-L181 VanDerWaalsContact C-N 3.28Å; N179-L181 PolarHBondContact O-N 3.02Å; N179-A182 CarbonylContact O-C 3.55Å; N179-A182 WeakPolarHBondContact O-CA 3.33Å; N179-A182 WeakPolarHBondContact O-CB 3.4Å; N179-A182 PolarHBondContact O-N 3.23Å; N179-E183 WeakPolarHBondContact O-CG 3.43Å; N179-E183 PolarHBondContact O-N 2.97Å
180	S	97.4	Very high	97	Very high	39 Å²	39	97.2 Å²	97.2	27%	0.273	48%	0.478	S	S	.	.	H	α-helix	trans	-62.5	-33.3	176.9	60.7	0	0	0	0	113	E176 A182 E183 L184	E176-S180 PolarHBondContact O-N 2.94Å; E176-S180 PolarHBondContact O-OG 3.18Å; S180-A182 VanDerWaalsContact C-N 3.34Å; S180-E183 PolarHBondContact O-N 3.4Å; S180-L184 VanDerWaalsContact O-CB 3.28Å; S180-L184 WeakPolarHBondContact O-CB 3.22Å; S180-L184 WeakPolarHBondContact O-CG 3.39Å; S180-L184 PolarHBondContact O-N 3.45Å
181	L	97.4	Very high	97.1	Very high	91 Å²	91	95.2 Å²	95.2	48%	0.476	48%	0.477	S	S	.	.	H	α-helix	trans	-67.6	-32.4	171.7	-170.4	159.5	0	0	0	112.4	L177 N179 K185	L177-L181 WeakPolarHBondContact O-CB 3.41Å; L177-L181 PolarHBondContact O-N 2.87Å; N179-L181 VanDerWaalsContact C-N 3.28Å; N179-L181 PolarHBondContact O-N 3.02Å; L181-K185 HydrophobicContact CD2-CD 3.92Å; L181-K185 VanDerWaalsContact CD2-CE 3.46Å; L181-K185 WeakPolarHBondContact O-CB 3.44Å; L181-K185 VanDerWaalsContact O-CG 3.28Å; L181-K185 WeakPolarHBondContact O-CG 3.2Å; L181-K185 PolarHBondContact O-N 3.06Å
182	A	97.3	Very high	97.3	Very high	55 Å²	55	94.9 Å²	94.9	46%	0.455	47%	0.472	S	S	.	.	H	α-helix	trans	-73.3	-43.6	173	0	0	0	0	0	112	R178 N179 S180 K185 Q186	R178-A182 WeakPolarHBondContact O-CB 3.34Å; R178-A182 PolarHBondContact O-N 3.43Å; N179-A182 CarbonylContact O-C 3.55Å; N179-A182 WeakPolarHBondContact O-CA 3.33Å; N179-A182 WeakPolarHBondContact O-CB 3.4Å; N179-A182 PolarHBondContact O-N 3.23Å; S180-A182 VanDerWaalsContact C-N 3.34Å; A182-K185 WeakPolarHBondContact O-CB 3.5Å; A182-K185 PolarHBondContact O-N 3.28Å; A182-Q186 PolarHBondContact O-N 3.09Å
183	E	97.8	Very high	97.4	Very high	106 Å²	106	95.1 Å²	95.1	50%	0.495	47%	0.468	S	S	.	.	H	α-helix	trans	-60.1	-49.2	175.2	-69.1	154.8	-152.3	0	0	111.2	N179 S180 K185 Q186 Q187	N179-E183 WeakPolarHBondContact O-CG 3.43Å; N179-E183 PolarHBondContact O-N 2.97Å; S180-E183 PolarHBondContact O-N 3.4Å; E183-K185 VanDerWaalsContact C-N 3.27Å; E183-K185 PolarHBondContact O-N 3.41Å; E183-Q186 WeakPolarHBondContact O-CB 3.42Å; E183-Q186 PolarHBondContact O-N 2.94Å; E183-Q186 VanDerWaalsContact O-N 3.12Å; E183-Q187 WeakPolarHBondContact O-CG 3.21Å; E183-Q187 PolarHBondContact O-N 2.86Å
184	L	97.8	Very high	97.4	Very high	110 Å²	110	95.2 Å²	95.2	58%	0.576	47%	0.47	S	S	*	.	H	α-helix	trans	-61.7	-33.8	175.7	-73.2	169.2	0	0	0	112.3	S180 N188	S180-L184 VanDerWaalsContact O-CB 3.28Å; S180-L184 WeakPolarHBondContact O-CB 3.22Å; S180-L184 WeakPolarHBondContact O-CG 3.39Å; S180-L184 PolarHBondContact O-N 3.45Å; L184-N188 WeakPolarHBondContact O-CB 3.48Å; L184-N188 PolarHBondContact O-N 3.37Å
185	K	97.1	Very high	97.5	Very high	130 Å²	130	94.9 Å²	94.9	57%	0.565	47%	0.469	S	S	*	.	H	α-helix	trans	-68.2	-43.9	172.2	-82.6	174.6	177.8	172.9	0	112	L181 A182 E183 N188 D189	L181-K185 HydrophobicContact CD2-CD 3.92Å; L181-K185 VanDerWaalsContact CD2-CE 3.46Å; L181-K185 WeakPolarHBondContact O-CB 3.44Å; L181-K185 VanDerWaalsContact O-CG 3.28Å; L181-K185 WeakPolarHBondContact O-CG 3.2Å; L181-K185 PolarHBondContact O-N 3.06Å; A182-K185 WeakPolarHBondContact O-CB 3.5Å; A182-K185 PolarHBondContact O-N 3.28Å; E183-K185 VanDerWaalsContact C-N 3.27Å; E183-K185 PolarHBondContact O-N 3.41Å; K185-N188 PolarHBondContact O-N 2.87Å; K185-D189 PolarHBondContact O-N 2.84Å
186	Q	97.9	Very high	97.6	Very high	117 Å²	117	99.8 Å²	99.8	55%	0.547	48%	0.483	S	S	.	.	H	α-helix	trans	-59	-52.2	176.4	173.8	175.1	-17.4	0	0	110.5	A182 E183 N188 D189 E190	A182-Q186 PolarHBondContact O-N 3.09Å; E183-Q186 WeakPolarHBondContact O-CB 3.42Å; E183-Q186 PolarHBondContact O-N 2.94Å; E183-Q186 VanDerWaalsContact O-N 3.12Å; Q186-N188 VanDerWaalsContact C-N 3.29Å; Q186-N188 PolarHBondContact O-N 3.42Å; Q186-D189 CarbonylContact O-C 3.56Å; Q186-D189 PolarHBondContact O-N 2.66Å; Q186-D189 VanDerWaalsContact O-N 3.08Å; Q186-E190 HydrophobicContact CG-CG 4.4Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.35Å; Q186-E190 PolarHBondContact NE2-OE1 3.29Å; Q186-E190 WeakPolarHBondContact O-CB 3.48Å; Q186-E190 WeakPolarHBondContact O-CG 3.46Å; Q186-E190 PolarHBondContact O-N 3.21Å
187	Q	98.1	Very high	97.7	Very high	106 Å²	106	99 Å²	99	50%	0.495	49%	0.485	S	S	.	.	H	α-helix	trans	-55.9	-42.6	175	-70.7	175.9	-5	0	0	111.8	E183 D189 E190 L191	E183-Q187 WeakPolarHBondContact O-CG 3.21Å; E183-Q187 PolarHBondContact O-N 2.86Å; Q187-D189 VanDerWaalsContact C-N 3.33Å; Q187-D189 PolarHBondContact O-N 3.11Å; Q187-E190 PolarHBondContact O-N 2.84Å; Q187-L191 WeakPolarHBondContact O-CB 3.45Å; Q187-L191 VanDerWaalsContact O-CG 3.28Å; Q187-L191 WeakPolarHBondContact O-CG 3.49Å; Q187-L191 PolarHBondContact O-N 3.21Å
188	N	98.1	Very high	97.7	Very high	87 Å²	87	98.5 Å²	98.5	47%	0.465	48%	0.482	S	S	.	.	H	α-helix	trans	-67	-31.7	178.7	-165.6	-106.3	0	0	0	113	L184 K185 Q186 K192	L184-N188 WeakPolarHBondContact O-CB 3.48Å; L184-N188 PolarHBondContact O-N 3.37Å; K185-N188 PolarHBondContact O-N 2.87Å; Q186-N188 VanDerWaalsContact C-N 3.29Å; Q186-N188 PolarHBondContact O-N 3.42Å; N188-K192 WeakPolarHBondContact O-CD 3.37Å; N188-K192 VanDerWaalsContact O-CE 3.29Å; N188-K192 WeakPolarHBondContact O-CE 3.37Å; N188-K192 WeakPolarHBondContact O-CG 3.34Å; N188-K192 PolarHBondContact O-N 3.48Å; N188-K192 WeakPolarHBondContact OD1-CE 3.41Å; N188-K192 PolarHBondContact OD1-NZ 2.82Å
189	D	97.6	Very high	97.8	Very high	79 Å²	79	99 Å²	99	42%	0.422	48%	0.484	S	S	.	.	H	α-helix	trans	-82.8	-25.8	174	-77.9	-17.8	0	0	0	113.3	K185 Q186 Q187 K192 K193	K185-D189 PolarHBondContact O-N 2.84Å; Q186-D189 CarbonylContact O-C 3.56Å; Q186-D189 PolarHBondContact O-N 2.66Å; Q186-D189 VanDerWaalsContact O-N 3.08Å; Q187-D189 VanDerWaalsContact C-N 3.33Å; Q187-D189 PolarHBondContact O-N 3.11Å; D189-K192 WeakPolarHBondContact OD1-CD 3.42Å; D189-K192 IonicContact OD1-NZ 2.66Å; D189-K192 PolarHBondContact OD1-NZ 3.03Å; D189-K193 VanDerWaalsContact O-CG 3.27Å; D189-K193 WeakPolarHBondContact O-CG 3.39Å; D189-K193 PolarHBondContact O-N 2.96Å; D189-K193 VanDerWaalsContact O-N 3.11Å
190	E	98.1	Very high	97.9	Very high	82 Å²	82	99.6 Å²	99.6	38%	0.383	48%	0.484	S	S	.	.	H	α-helix	trans	-68.1	-50.8	168.7	-75.2	164.8	177.5	0	0	110.9	Q186 Q187 K192 K193 E194	Q186-E190 HydrophobicContact CG-CG 4.4Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.35Å; Q186-E190 PolarHBondContact NE2-OE1 3.29Å; Q186-E190 WeakPolarHBondContact O-CB 3.48Å; Q186-E190 WeakPolarHBondContact O-CG 3.46Å; Q186-E190 PolarHBondContact O-N 3.21Å; Q187-E190 PolarHBondContact O-N 2.84Å; E190-K192 PolarHBondContact O-N 2.98Å; E190-K193 WeakPolarHBondContact O-CA 3.47Å; E190-K193 WeakPolarHBondContact O-CB 3.41Å; E190-K193 PolarHBondContact O-N 2.88Å; E190-E194 PolarHBondContact O-N 2.98Å
191	L	98	Very high	97.9	Very high	103 Å²	103	101.7 Å²	101.7	54%	0.539	49%	0.491	S	S	.	.	H	α-helix	trans	-57.7	-33	172.7	-71	168	0	0	0	112.4	Q187 N195	Q187-L191 WeakPolarHBondContact O-CB 3.45Å; Q187-L191 VanDerWaalsContact O-CG 3.28Å; Q187-L191 WeakPolarHBondContact O-CG 3.49Å; Q187-L191 PolarHBondContact O-N 3.21Å; L191-N195 WeakPolarHBondContact O-CB 3.48Å; L191-N195 PolarHBondContact O-N 3.42Å
192	K	98	Very high	98	Very high	90 Å²	90	102.1 Å²	102.1	39%	0.391	49%	0.491	S	S	.	.	H	α-helix	trans	-68.9	-35.6	171.3	-76.7	167.4	-148.2	151.1	0	113.1	N188 D189 E190 R196	N188-K192 WeakPolarHBondContact O-CD 3.37Å; N188-K192 VanDerWaalsContact O-CE 3.29Å; N188-K192 WeakPolarHBondContact O-CE 3.37Å; N188-K192 WeakPolarHBondContact O-CG 3.34Å; N188-K192 PolarHBondContact O-N 3.48Å; N188-K192 WeakPolarHBondContact OD1-CE 3.41Å; N188-K192 PolarHBondContact OD1-NZ 2.82Å; D189-K192 WeakPolarHBondContact OD1-CD 3.42Å; D189-K192 IonicContact OD1-NZ 2.66Å; D189-K192 PolarHBondContact OD1-NZ 3.03Å; E190-K192 PolarHBondContact O-N 2.98Å; K192-R196 VanDerWaalsContact O-CD 3.29Å; K192-R196 WeakPolarHBondContact O-CD 3.49Å; K192-R196 WeakPolarHBondContact O-CG 3.28Å; K192-R196 PolarHBondContact O-N 3.49Å
193	K	98	Very high	98	Very high	127 Å²	127	102.6 Å²	102.6	55%	0.552	49%	0.488	S	S	*	.	H	α-helix	trans	-68.7	-47.1	174.7	-67.8	160.1	-166.4	165.9	0	109.7	D189 E190 R196 T197	D189-K193 VanDerWaalsContact O-CG 3.27Å; D189-K193 WeakPolarHBondContact O-CG 3.39Å; D189-K193 PolarHBondContact O-N 2.96Å; D189-K193 VanDerWaalsContact O-N 3.11Å; E190-K193 WeakPolarHBondContact O-CA 3.47Å; E190-K193 WeakPolarHBondContact O-CB 3.41Å; E190-K193 PolarHBondContact O-N 2.88Å; K193-R196 WeakPolarHBondContact O-CB 3.23Å; K193-R196 PolarHBondContact O-N 3.45Å; K193-R196 VanDerWaalsContact O-N 3.14Å; K193-T197 PolarHBondContact O-N 2.84Å
194	E	97.6	Very high	98	Very high	100 Å²	100	105.6 Å²	105.6	47%	0.467	50%	0.495	S	S	.	.	H	α-helix	trans	-60	-48.6	176.8	-170.9	-171.8	177.5	0	0	111.7	E190 R196 T197 L198	E190-E194 PolarHBondContact O-N 2.98Å; E194-R196 PolarHBondContact O-N 3.4Å; E194-R196 VanDerWaalsContact O-N 3.13Å; E194-T197 WeakPolarHBondContact CA-OG1 3.2Å; E194-T197 PolarHBondContact O-N 3.17Å; E194-T197 PolarHBondContact O-OG1 2.83Å; E194-L198 HydrophobicContact CG-CD1 3.99Å; E194-L198 HydrophobicContact CG-CG 4.28Å; E194-L198 WeakPolarHBondContact O-CB 3.27Å; E194-L198 WeakPolarHBondContact O-CG 3.41Å; E194-L198 PolarHBondContact O-N 3.45Å
195	N	97.9	Very high	98.1	Very high	73 Å²	73	105.3 Å²	105.3	39%	0.39	49%	0.491	S	S	.	.	H	α-helix	trans	-63.6	-24.4	178.2	-161.3	-98.8	0	0	0	112.6	L191 R199	L191-N195 WeakPolarHBondContact O-CB 3.48Å; L191-N195 PolarHBondContact O-N 3.42Å; N195-R199 WeakPolarHBondContact O-CG 3.44Å; N195-R199 PolarHBondContact O-N 2.89Å; N195-R199 VanDerWaalsContact OD1-CZ 3.25Å; N195-R199 PolarHBondContact OD1-NE 3.44Å; N195-R199 PolarHBondContact OD1-NH2 2.88Å
196	R	98.2	Very high	98.1	Very high	165 Å²	165	103.6 Å²	103.6	62%	0.623	49%	0.485	S	S	*	.	H	α-helix	trans	-75.6	-40.8	170.2	-70.8	164.4	-176.8	-177.5	1.9	112.3	K192 K193 E194 Q200	K192-R196 VanDerWaalsContact O-CD 3.29Å; K192-R196 WeakPolarHBondContact O-CD 3.49Å; K192-R196 WeakPolarHBondContact O-CG 3.28Å; K192-R196 PolarHBondContact O-N 3.49Å; K193-R196 WeakPolarHBondContact O-CB 3.23Å; K193-R196 PolarHBondContact O-N 3.45Å; K193-R196 VanDerWaalsContact O-N 3.14Å; E194-R196 PolarHBondContact O-N 3.4Å; E194-R196 VanDerWaalsContact O-N 3.13Å; R196-Q200 WeakPolarHBondContact O-CG 3.25Å; R196-Q200 PolarHBondContact O-N 2.93Å; R196-Q200 VanDerWaalsContact O-N 3.08Å
197	T	98.1	Very high	98.1	Very high	81 Å²	81	104.7 Å²	104.7	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-69.9	-39.1	177.1	53.9	0	0	0	0	111.5	K193 E194 Q200 L201	K193-T197 PolarHBondContact O-N 2.84Å; E194-T197 WeakPolarHBondContact CA-OG1 3.2Å; E194-T197 PolarHBondContact O-N 3.17Å; E194-T197 PolarHBondContact O-OG1 2.83Å; T197-Q200 CarbonylContact O-C 3.59Å; T197-Q200 WeakPolarHBondContact O-CB 3.29Å; T197-Q200 PolarHBondContact O-N 2.84Å; T197-Q200 VanDerWaalsContact O-N 3.16Å; T197-L201 PolarHBondContact O-N 3.34Å
198	L	98.5	Very high	98.1	Very high	84 Å²	84	101.7 Å²	101.7	44%	0.44	48%	0.481	S	S	.	.	H	α-helix	trans	-60.2	-45.5	173.1	-70	173.5	0	0	0	112.1	E194 Q200 L201 Q202	E194-L198 HydrophobicContact CG-CD1 3.99Å; E194-L198 HydrophobicContact CG-CG 4.28Å; E194-L198 WeakPolarHBondContact O-CB 3.27Å; E194-L198 WeakPolarHBondContact O-CG 3.41Å; E194-L198 PolarHBondContact O-N 3.45Å; L198-Q200 VanDerWaalsContact C-N 3.31Å; L198-Q200 PolarHBondContact O-N 3.15Å; L198-L201 WeakPolarHBondContact O-CB 3.35Å; L198-L201 PolarHBondContact O-N 3.12Å; L198-Q202 WeakPolarHBondContact O-CB 3.29Å; L198-Q202 PolarHBondContact O-N 2.89Å
199	R	98.4	Very high	98.1	Very high	157 Å²	157	102.3 Å²	102.3	59%	0.592	48%	0.484	S	S	*	.	H	α-helix	trans	-62.8	-35.6	173.2	-72	175	-156	-138.6	3.6	112.9	N195 V203	N195-R199 WeakPolarHBondContact O-CG 3.44Å; N195-R199 PolarHBondContact O-N 2.89Å; N195-R199 VanDerWaalsContact OD1-CZ 3.25Å; N195-R199 PolarHBondContact OD1-NE 3.44Å; N195-R199 PolarHBondContact OD1-NH2 2.88Å; R199-V203 WeakPolarHBondContact O-CG2 3.38Å; R199-V203 PolarHBondContact O-N 3.3Å
200	Q	98.1	Very high	98.2	Very high	110 Å²	110	103.4 Å²	103.4	51%	0.514	49%	0.486	S	S	.	.	H	α-helix	trans	-69.6	-34.3	174.4	-73.2	178.5	27.4	0	0	112.4	R196 T197 L198 R204	R196-Q200 WeakPolarHBondContact O-CG 3.25Å; R196-Q200 PolarHBondContact O-N 2.93Å; R196-Q200 VanDerWaalsContact O-N 3.08Å; T197-Q200 CarbonylContact O-C 3.59Å; T197-Q200 WeakPolarHBondContact O-CB 3.29Å; T197-Q200 PolarHBondContact O-N 2.84Å; T197-Q200 VanDerWaalsContact O-N 3.16Å; L198-Q200 VanDerWaalsContact C-N 3.31Å; L198-Q200 PolarHBondContact O-N 3.15Å; Q200-R204 WeakPolarHBondContact O-CD 3.44Å; Q200-R204 VanDerWaalsContact O-CG 3.22Å; Q200-R204 WeakPolarHBondContact O-CG 3.36Å; Q200-R204 PolarHBondContact O-N 3.43Å
201	L	98.3	Very high	98.2	Very high	82 Å²	82	107.3 Å²	107.3	43%	0.429	50%	0.497	S	S	.	.	H	α-helix	trans	-67.4	-48.1	173.4	178.4	59.8	0	0	0	110.7	T197 L198 V203 R204 Q205	T197-L201 PolarHBondContact O-N 3.34Å; L198-L201 WeakPolarHBondContact O-CB 3.35Å; L198-L201 PolarHBondContact O-N 3.12Å; L201-V203 PolarHBondContact O-N 2.76Å; L201-R204 CarbonylContact O-C 3.59Å; L201-R204 WeakPolarHBondContact O-CA 3.23Å; L201-R204 WeakPolarHBondContact O-CB 3.36Å; L201-R204 PolarHBondContact O-N 2.95Å; L201-Q205 HydrophobicContact CD1-CG 4.24Å; L201-Q205 HydrophobicContact CG-CG 4.46Å; L201-Q205 WeakPolarHBondContact O-CG 3.42Å; L201-Q205 PolarHBondContact O-N 3Å
202	Q	98.3	Very high	98.2	Very high	100 Å²	100	109.9 Å²	109.9	47%	0.467	50%	0.501	S	S	.	.	H	α-helix	trans	-52.5	-52.9	173.8	179.1	-176	-10.3	0	0	111.1	L198 R204 Q205 E206	L198-Q202 WeakPolarHBondContact O-CB 3.29Å; L198-Q202 PolarHBondContact O-N 2.89Å; Q202-R204 PolarHBondContact O-N 2.85Å; Q202-R204 VanDerWaalsContact O-N 3.15Å; Q202-Q205 CarbonylContact O-C 3.57Å; Q202-Q205 WeakPolarHBondContact O-CA 3.07Å; Q202-Q205 PolarHBondContact O-N 2.78Å; Q202-E206 HydrophobicContact CG-CG 4.23Å; Q202-E206 VanDerWaalsContact CG-OE1 3.3Å; Q202-E206 WeakPolarHBondContact CG-OE1 3.25Å; Q202-E206 PolarHBondContact NE2-OE1 3.43Å; Q202-E206 WeakPolarHBondContact O-CG 3.5Å; Q202-E206 PolarHBondContact O-N 2.91Å
203	V	98.4	Very high	98.2	Very high	66 Å²	66	109.8 Å²	109.8	40%	0.4	51%	0.505	S	S	.	.	H	α-helix	trans	-65.9	-18.3	179.5	171.5	0	0	0	0	113.3	R199 L201 K207	R199-V203 WeakPolarHBondContact O-CG2 3.38Å; R199-V203 PolarHBondContact O-N 3.3Å; L201-V203 PolarHBondContact O-N 2.76Å; V203-K207 VanDerWaalsContact O-CD 3.25Å; V203-K207 WeakPolarHBondContact O-CD 3.11Å; V203-K207 VanDerWaalsContact O-CG 3.23Å; V203-K207 WeakPolarHBondContact O-CG 3.43Å
204	R	98.2	Very high	98.2	Very high	168 Å²	168	106.4 Å²	106.4	63%	0.634	49%	0.493	S	S	*	.	H	α-helix	trans	-81.6	-39.5	168.9	-70.7	166.7	-170.8	-176	4.7	111.5	Q200 L201 Q202 K207 A208	Q200-R204 WeakPolarHBondContact O-CD 3.44Å; Q200-R204 VanDerWaalsContact O-CG 3.22Å; Q200-R204 WeakPolarHBondContact O-CG 3.36Å; Q200-R204 PolarHBondContact O-N 3.43Å; L201-R204 CarbonylContact O-C 3.59Å; L201-R204 WeakPolarHBondContact O-CA 3.23Å; L201-R204 WeakPolarHBondContact O-CB 3.36Å; L201-R204 PolarHBondContact O-N 2.95Å; Q202-R204 PolarHBondContact O-N 2.85Å; Q202-R204 VanDerWaalsContact O-N 3.15Å; R204-K207 PolarHBondContact O-N 3.46Å; R204-A208 PolarHBondContact O-N 2.68Å
205	Q	98.3	Very high	98.2	Very high	104 Å²	104	104.7 Å²	104.7	49%	0.486	49%	0.489	S	S	.	.	H	α-helix	trans	-68	-46.1	177.7	-71.8	168.3	-34.8	0	0	111.6	L201 Q202 K207 A208 L209	L201-Q205 HydrophobicContact CD1-CG 4.24Å; L201-Q205 HydrophobicContact CG-CG 4.46Å; L201-Q205 WeakPolarHBondContact O-CG 3.42Å; L201-Q205 PolarHBondContact O-N 3Å; Q202-Q205 CarbonylContact O-C 3.57Å; Q202-Q205 WeakPolarHBondContact O-CA 3.07Å; Q202-Q205 PolarHBondContact O-N 2.78Å; Q205-K207 PolarHBondContact O-N 2.97Å; Q205-A208 WeakPolarHBondContact O-CA 3.34Å; Q205-A208 WeakPolarHBondContact O-CB 3.44Å; Q205-A208 PolarHBondContact O-N 3.47Å; Q205-L209 WeakPolarHBondContact O-CG 3.46Å; Q205-L209 PolarHBondContact O-N 3.12Å
206	E	98.1	Very high	98.2	Very high	95 Å²	95	107.5 Å²	107.5	44%	0.444	50%	0.5	S	S	.	.	H	α-helix	trans	-54.9	-40.3	172.8	-70.7	167.5	168.2	0	0	111.7	Q202 Q210	Q202-E206 HydrophobicContact CG-CG 4.23Å; Q202-E206 VanDerWaalsContact CG-OE1 3.3Å; Q202-E206 WeakPolarHBondContact CG-OE1 3.25Å; Q202-E206 PolarHBondContact NE2-OE1 3.43Å; Q202-E206 WeakPolarHBondContact O-CG 3.5Å; Q202-E206 PolarHBondContact O-N 2.91Å; E206-Q210 PolarHBondContact O-N 2.96Å
207	K	98.3	Very high	98.2	Very high	140 Å²	140	102.4 Å²	102.4	61%	0.609	49%	0.489	S	S	*	.	H	α-helix	trans	-72.2	-27.8	175.2	-74.2	174.5	-173.7	173.5	0	113.8	V203 R204 Q205 R211	V203-K207 VanDerWaalsContact O-CD 3.25Å; V203-K207 WeakPolarHBondContact O-CD 3.11Å; V203-K207 VanDerWaalsContact O-CG 3.23Å; V203-K207 WeakPolarHBondContact O-CG 3.43Å; R204-K207 PolarHBondContact O-N 3.46Å; Q205-K207 PolarHBondContact O-N 2.97Å; K207-R211 VanDerWaalsContact O-CG 3.32Å; K207-R211 WeakPolarHBondContact O-CG 3.31Å; K207-R211 PolarHBondContact O-N 3.01Å
208	A	98.1	Very high	98.2	Very high	42 Å²	42	104.8 Å²	104.8	35%	0.347	50%	0.495	S	S	.	.	H	α-helix	trans	-74.7	-42.7	173.3	0	0	0	0	0	110.7	R204 Q205 R211 Y212	R204-A208 PolarHBondContact O-N 2.68Å; Q205-A208 WeakPolarHBondContact O-CA 3.34Å; Q205-A208 WeakPolarHBondContact O-CB 3.44Å; Q205-A208 PolarHBondContact O-N 3.47Å; A208-R211 WeakPolarHBondContact O-CB 3.49Å; A208-R211 PolarHBondContact O-N 2.82Å; A208-R211 VanDerWaalsContact O-N 3.09Å; A208-Y212 HydrophobicContact CB-CE2 4.39Å; A208-Y212 WeakPolarHBondContact O-CD2 3.49Å; A208-Y212 PolarHBondContact O-N 3.28Å
209	L	98.3	Very high	98.2	Very high	101 Å²	101	105.5 Å²	105.5	53%	0.529	50%	0.498	S	S	.	.	H	α-helix	trans	-57.4	-52	173.2	-69.5	171.6	0	0	0	111.1	Q205 R211 Y212 D213	Q205-L209 WeakPolarHBondContact O-CG 3.46Å; Q205-L209 PolarHBondContact O-N 3.12Å; L209-R211 PolarHBondContact O-N 3.34Å; L209-R211 VanDerWaalsContact O-N 3.07Å; L209-Y212 CarbonylContact O-C 3.58Å; L209-Y212 WeakPolarHBondContact O-CA 3.36Å; L209-Y212 WeakPolarHBondContact O-CB 3.31Å; L209-Y212 PolarHBondContact O-N 2.89Å; L209-D213 PolarHBondContact O-N 3Å
210	Q	98.3	Very high	98.2	Very high	101 Å²	101	101.2 Å²	101.2	47%	0.472	49%	0.493	S	S	.	.	H	α-helix	trans	-54	-33.9	174.9	-177.2	64.5	68.8	0	0	112.6	E206 D214	E206-Q210 PolarHBondContact O-N 2.96Å; Q210-D214 PolarHBondContact NE2-OD1 3.33Å; Q210-D214 WeakPolarHBondContact O-CB 3.47Å; Q210-D214 PolarHBondContact O-N 3.26Å; Q210-D214 VanDerWaalsContact O-OD1 3.1Å
211	R	98.2	Very high	98.2	Very high	165 Å²	165	100.6 Å²	100.6	62%	0.623	49%	0.49	S	S	*	.	H	α-helix	trans	-73.8	-33.3	175.7	-70.8	-66.1	-179	-121.7	2.9	113.3	K207 A208 L209 D214 T215	K207-R211 VanDerWaalsContact O-CG 3.32Å; K207-R211 WeakPolarHBondContact O-CG 3.31Å; K207-R211 PolarHBondContact O-N 3.01Å; A208-R211 WeakPolarHBondContact O-CB 3.49Å; A208-R211 PolarHBondContact O-N 2.82Å; A208-R211 VanDerWaalsContact O-N 3.09Å; L209-R211 PolarHBondContact O-N 3.34Å; L209-R211 VanDerWaalsContact O-N 3.07Å; R211-D214 WeakPolarHBondContact CD-OD2 3.5Å; R211-D214 IonicContact CZ-OD2 2.66Å; R211-D214 IonicContact NH1-OD2 2.65Å; R211-D214 PolarHBondContact NH1-OD2 2.86Å; R211-T215 WeakPolarHBondContact O-CG2 3.33Å; R211-T215 PolarHBondContact O-N 2.87Å; R211-T215 PolarHBondContact O-OG1 3.32Å; R211-T215 VanDerWaalsContact O-OG1 3.12Å
212	Y	98.1	Very high	98.2	Very high	157 Å²	157	102.2 Å²	102.2	62%	0.616	50%	0.498	S	S	*	.	H	α-helix	trans	-66.8	-45.8	170.1	-63.3	-53.7	0	0	0	110.7	A208 L209 D214 T215 E216	A208-Y212 HydrophobicContact CB-CE2 4.39Å; A208-Y212 WeakPolarHBondContact O-CD2 3.49Å; A208-Y212 PolarHBondContact O-N 3.28Å; L209-Y212 CarbonylContact O-C 3.58Å; L209-Y212 WeakPolarHBondContact O-CA 3.36Å; L209-Y212 WeakPolarHBondContact O-CB 3.31Å; L209-Y212 PolarHBondContact O-N 2.89Å; Y212-D214 VanDerWaalsContact C-N 3.35Å; Y212-D214 PolarHBondContact O-N 3.11Å; Y212-T215 WeakPolarHBondContact CA-OG1 3.38Å; Y212-T215 CarbonylContact O-C 3.54Å; Y212-T215 PolarHBondContact O-N 2.86Å; Y212-T215 VanDerWaalsContact O-N 3.12Å; Y212-T215 PolarHBondContact O-OG1 2.88Å; Y212-E216 WeakPolarHBondContact O-CB 3.31Å; Y212-E216 PolarHBondContact O-N 2.98Å
213	D	98.1	Very high	98.3	Very high	87 Å²	87	102.3 Å²	102.3	47%	0.465	50%	0.501	S	S	.	.	H	α-helix	trans	-57	-45.9	174.6	-53.3	-28.6	0	0	0	111.5	L209 T215 E216 S217	L209-D213 PolarHBondContact O-N 3Å; D213-T215 PolarHBondContact O-N 3.38Å; D213-E216 PolarHBondContact O-N 3.41Å; D213-S217 WeakPolarHBondContact O-CB 3.46Å; D213-S217 PolarHBondContact O-N 3.41Å
214	D	98.1	Very high	98.3	Very high	57 Å²	57	101.5 Å²	101.5	31%	0.305	50%	0.502	S	S	.	.	H	α-helix	trans	-55.8	-50.5	174.5	-65.7	-20.2	0	0	0	110.3	Q210 R211 Y212 S217 E218	Q210-D214 PolarHBondContact NE2-OD1 3.33Å; Q210-D214 WeakPolarHBondContact O-CB 3.47Å; Q210-D214 PolarHBondContact O-N 3.26Å; Q210-D214 VanDerWaalsContact O-OD1 3.1Å; R211-D214 WeakPolarHBondContact CD-OD2 3.5Å; R211-D214 IonicContact CZ-OD2 2.66Å; R211-D214 IonicContact NH1-OD2 2.65Å; R211-D214 PolarHBondContact NH1-OD2 2.86Å; Y212-D214 VanDerWaalsContact C-N 3.35Å; Y212-D214 PolarHBondContact O-N 3.11Å; D214-S217 PolarHBondContact O-N 2.89Å; D214-S217 PolarHBondContact O-OG 3.26Å; D214-E218 PolarHBondContact O-N 3.19Å
215	T	97.9	Very high	98.3	Very high	64 Å²	64	101.5 Å²	101.5	39%	0.393	50%	0.502	S	S	.	.	H	α-helix	trans	-70.2	-33.8	-179.1	55	0	0	0	0	114	R211 Y212 D213 S217 E218 I219	R211-T215 WeakPolarHBondContact O-CG2 3.33Å; R211-T215 PolarHBondContact O-N 2.87Å; R211-T215 PolarHBondContact O-OG1 3.32Å; R211-T215 VanDerWaalsContact O-OG1 3.12Å; Y212-T215 WeakPolarHBondContact CA-OG1 3.38Å; Y212-T215 CarbonylContact O-C 3.54Å; Y212-T215 PolarHBondContact O-N 2.86Å; Y212-T215 VanDerWaalsContact O-N 3.12Å; Y212-T215 PolarHBondContact O-OG1 2.88Å; D213-T215 PolarHBondContact O-N 3.38Å; T215-S217 VanDerWaalsContact C-N 3.3Å; T215-E218 PolarHBondContact O-N 3.21Å; T215-I219 WeakPolarHBondContact O-CB 3.45Å; T215-I219 VanDerWaalsContact O-CG1 3.27Å; T215-I219 WeakPolarHBondContact O-CG1 3.28Å; T215-I219 PolarHBondContact O-N 3.48Å
216	E	98.1	Very high	98.3	Very high	131 Å²	131	101.3 Å²	101.3	61%	0.612	50%	0.5	S	S	*	.	H	α-helix	trans	-66.5	-36.7	174.5	-174.3	172.5	177.6	0	0	110.3	Y212 D213 S220	Y212-E216 WeakPolarHBondContact O-CB 3.31Å; Y212-E216 PolarHBondContact O-N 2.98Å; D213-E216 PolarHBondContact O-N 3.41Å; E216-S220 VanDerWaalsContact O-CB 3.25Å; E216-S220 WeakPolarHBondContact O-CB 3.48Å; E216-S220 PolarHBondContact O-N 3.37Å; E216-S220 PolarHBondContact O-OG 3.4Å
217	S	98.3	Very high	98.3	Very high	58 Å²	58	100 Å²	100	41%	0.406	50%	0.501	S	S	.	.	H	α-helix	trans	-66.6	-34.7	172.3	89.1	0	0	0	0	112.8	D213 D214 T215 Q221	D213-S217 WeakPolarHBondContact O-CB 3.46Å; D213-S217 PolarHBondContact O-N 3.41Å; D214-S217 PolarHBondContact O-N 2.89Å; D214-S217 PolarHBondContact O-OG 3.26Å; T215-S217 VanDerWaalsContact C-N 3.3Å; S217-Q221 WeakPolarHBondContact O-CB 3.3Å; S217-Q221 VanDerWaalsContact O-CG 3.27Å; S217-Q221 WeakPolarHBondContact O-CG 3.49Å; S217-Q221 PolarHBondContact O-N 3.01Å; S217-Q221 PolarHBondContact O-NE2 2.79Å; S217-Q221 VanDerWaalsContact O-NE2 3.11Å
218	E	98.3	Very high	98.4	Very high	132 Å²	132	98.4 Å²	98.4	62%	0.617	50%	0.5	S	S	*	.	H	α-helix	trans	-71	-46.3	175.9	-176.1	173.5	-164.9	0	0	111.3	D214 T215 S220 Q221 L222	D214-E218 PolarHBondContact O-N 3.19Å; T215-E218 PolarHBondContact O-N 3.21Å; E218-S220 VanDerWaalsContact C-N 3.32Å; E218-S220 PolarHBondContact O-N 3.18Å; E218-Q221 PolarHBondContact O-N 3.17Å; E218-L222 WeakPolarHBondContact O-CB 3.43Å; E218-L222 PolarHBondContact O-N 2.81Å
219	I	98.4	Very high	98.4	Very high	99 Å²	99	101.8 Å²	101.8	51%	0.508	51%	0.508	S	S	.	.	H	α-helix	trans	-59.5	-44.2	174.7	-68.9	163.6	0	0	0	110.3	T215 Q221 L222 L223	T215-I219 WeakPolarHBondContact O-CB 3.45Å; T215-I219 VanDerWaalsContact O-CG1 3.27Å; T215-I219 WeakPolarHBondContact O-CG1 3.28Å; T215-I219 PolarHBondContact O-N 3.48Å; I219-Q221 VanDerWaalsContact C-N 3.35Å; I219-Q221 PolarHBondContact O-N 2.88Å; I219-L222 PolarHBondContact O-N 3.39Å; I219-L223 HydrophobicContact CG2-CD1 3.96Å; I219-L223 HydrophobicContact CG2-CG 4.39Å; I219-L223 WeakPolarHBondContact O-CB 3.48Å; I219-L223 VanDerWaalsContact O-CG 3.32Å; I219-L223 WeakPolarHBondContact O-CG 3.38Å; I219-L223 PolarHBondContact O-N 2.9Å
220	S	98.6	Very high	98.4	Very high	67 Å²	67	99.5 Å²	99.5	47%	0.469	50%	0.496	S	S	.	.	H	α-helix	trans	-60.9	-42	176.6	-63	0	0	0	0	112.2	E216 E218 A224	E216-S220 VanDerWaalsContact O-CB 3.25Å; E216-S220 WeakPolarHBondContact O-CB 3.48Å; E216-S220 PolarHBondContact O-N 3.37Å; E216-S220 PolarHBondContact O-OG 3.4Å; E218-S220 VanDerWaalsContact C-N 3.32Å; E218-S220 PolarHBondContact O-N 3.18Å; S220-A224 WeakPolarHBondContact O-CB 3.43Å; S220-A224 PolarHBondContact O-N 2.67Å
221	Q	98.4	Very high	98.4	Very high	97 Å²	97	100.6 Å²	100.6	45%	0.453	50%	0.501	S	S	.	.	H	α-helix	trans	-66	-40.4	174.1	-76.4	173	73.3	0	0	112.5	S217 E218 I219 A224 R225	S217-Q221 WeakPolarHBondContact O-CB 3.3Å; S217-Q221 VanDerWaalsContact O-CG 3.27Å; S217-Q221 WeakPolarHBondContact O-CG 3.49Å; S217-Q221 PolarHBondContact O-N 3.01Å; S217-Q221 PolarHBondContact O-NE2 2.79Å; S217-Q221 VanDerWaalsContact O-NE2 3.11Å; E218-Q221 PolarHBondContact O-N 3.17Å; I219-Q221 VanDerWaalsContact C-N 3.35Å; I219-Q221 PolarHBondContact O-N 2.88Å; Q221-A224 PolarHBondContact O-N 3.2Å; Q221-R225 VanDerWaalsContact O-CG 3.28Å; Q221-R225 WeakPolarHBondContact O-CG 3.43Å; Q221-R225 PolarHBondContact O-N 3.17Å
222	L	98.7	Very high	98.4	Very high	115 Å²	115	97.4 Å²	97.4	60%	0.602	50%	0.499	S	S	*	.	H	α-helix	trans	-64.2	-45.3	177.9	-178.1	61.5	0	0	0	111.3	E218 I219 A224 R225 H226	E218-L222 WeakPolarHBondContact O-CB 3.43Å; E218-L222 PolarHBondContact O-N 2.81Å; I219-L222 PolarHBondContact O-N 3.39Å; L222-A224 VanDerWaalsContact C-N 3.34Å; L222-A224 PolarHBondContact O-N 3.37Å; L222-R225 PolarHBondContact O-N 2.75Å; L222-H226 WeakPolarHBondContact O-CB 3.35Å; L222-H226 PolarHBondContact O-N 3.35Å
223	L	98.6	Very high	98.5	Very high	103 Å²	103	94.2 Å²	94.2	54%	0.539	49%	0.493	S	S	.	.	H	α-helix	trans	-61.5	-40.2	174.7	-70.8	172.3	0	0	0	112	I219 S227	I219-L223 HydrophobicContact CG2-CD1 3.96Å; I219-L223 HydrophobicContact CG2-CG 4.39Å; I219-L223 WeakPolarHBondContact O-CB 3.48Å; I219-L223 VanDerWaalsContact O-CG 3.32Å; I219-L223 WeakPolarHBondContact O-CG 3.38Å; I219-L223 PolarHBondContact O-N 2.9Å; L223-S227 VanDerWaalsContact O-CB 3.27Å; L223-S227 WeakPolarHBondContact O-CB 3.35Å; L223-S227 PolarHBondContact O-N 3.36Å; L223-S227 PolarHBondContact O-OG 2.85Å
224	A	98.6	Very high	98.5	Very high	49 Å²	49	98.4 Å²	98.4	41%	0.405	50%	0.502	S	S	.	.	H	α-helix	trans	-65.4	-44.4	175.1	0	0	0	0	0	112.2	S220 Q221 L222 S227 N228	S220-A224 WeakPolarHBondContact O-CB 3.43Å; S220-A224 PolarHBondContact O-N 2.67Å; Q221-A224 PolarHBondContact O-N 3.2Å; L222-A224 VanDerWaalsContact C-N 3.34Å; L222-A224 PolarHBondContact O-N 3.37Å; A224-S227 PolarHBondContact O-N 3.07Å; A224-N228 WeakPolarHBondContact O-CB 3.37Å; A224-N228 VanDerWaalsContact O-CG 3.25Å; A224-N228 PolarHBondContact O-N 2.71Å; A224-N228 PolarHBondContact O-ND2 3.48Å
225	R	98.6	Very high	98.5	Very high	168 Å²	168	97.4 Å²	97.4	63%	0.634	50%	0.495	S	S	*	.	H	α-helix	trans	-60	-49.5	175.9	-71.9	172.7	-166	-176.3	8.6	111.5	Q221 L222 S227 N228 E229	Q221-R225 VanDerWaalsContact O-CG 3.28Å; Q221-R225 WeakPolarHBondContact O-CG 3.43Å; Q221-R225 PolarHBondContact O-N 3.17Å; L222-R225 PolarHBondContact O-N 2.75Å; R225-S227 PolarHBondContact O-N 3.15Å; R225-N228 PolarHBondContact O-N 3.15Å; R225-E229 PolarHBondContact O-N 2.68Å
226	H	98.7	Very high	98.5	Very high	99 Å²	99	102.8 Å²	102.8	46%	0.458	51%	0.509	S	S	.	.	H	α-helix	trans	-64.4	-37.1	178.5	-178.8	-127.2	0	0	0	112.5	L222 E229 I230	L222-H226 WeakPolarHBondContact O-CB 3.35Å; L222-H226 PolarHBondContact O-N 3.35Å; H226-E229 PolarHBondContact O-N 3.34Å; H226-I230 WeakPolarHBondContact O-CB 3.49Å; H226-I230 WeakPolarHBondContact O-CG1 3.44Å; H226-I230 PolarHBondContact O-N 2.64Å
227	S	98.7	Very high	98.6	Very high	67 Å²	67	101.2 Å²	101.2	47%	0.469	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-40.4	174.2	-60.7	0	0	0	0	112.2	L223 A224 R225 H231	L223-S227 VanDerWaalsContact O-CB 3.27Å; L223-S227 WeakPolarHBondContact O-CB 3.35Å; L223-S227 PolarHBondContact O-N 3.36Å; L223-S227 PolarHBondContact O-OG 2.85Å; A224-S227 PolarHBondContact O-N 3.07Å; R225-S227 PolarHBondContact O-N 3.15Å; S227-H231 PolarHBondContact O-N 2.93Å
228	N	98.6	Very high	98.6	Very high	107 Å²	107	105.9 Å²	105.9	57%	0.572	51%	0.513	S	S	*	.	H	α-helix	trans	-67.2	-41.4	174.8	-70.3	-21.3	0	0	0	111.7	A224 R225 H231 V232	A224-N228 WeakPolarHBondContact O-CB 3.37Å; A224-N228 VanDerWaalsContact O-CG 3.25Å; A224-N228 PolarHBondContact O-N 2.71Å; A224-N228 PolarHBondContact O-ND2 3.48Å; R225-N228 PolarHBondContact O-N 3.15Å; N228-H231 WeakPolarHBondContact O-CB 3.38Å; N228-H231 PolarHBondContact O-N 2.82Å; N228-V232 WeakPolarHBondContact O-CG2 3.27Å; N228-V232 PolarHBondContact O-N 2.91Å
229	E	98.5	Very high	98.6	Very high	113 Å²	113	106.3 Å²	106.3	53%	0.528	51%	0.508	S	S	.	.	H	α-helix	trans	-60.3	-48.4	174.3	-178.4	175.5	-163.1	0	0	111.6	R225 H226 H231 V232 L233	R225-E229 PolarHBondContact O-N 2.68Å; H226-E229 PolarHBondContact O-N 3.34Å; E229-H231 VanDerWaalsContact C-N 3.26Å; E229-H231 PolarHBondContact O-N 2.66Å; E229-V232 PolarHBondContact O-N 3.49Å; E229-L233 HydrophobicContact CG-CD1 3.96Å; E229-L233 HydrophobicContact CG-CG 4.38Å; E229-L233 WeakPolarHBondContact O-CB 3.4Å; E229-L233 WeakPolarHBondContact O-CG 3.47Å; E229-L233 PolarHBondContact O-N 2.89Å
230	I	98.7	Very high	98.6	Very high	53 Å²	53	104.9 Å²	104.9	27%	0.272	51%	0.505	S	S	.	.	H	α-helix	trans	-55.9	-41.4	173	-74	169.6	0	0	0	111.1	H226 R234	H226-I230 WeakPolarHBondContact O-CB 3.49Å; H226-I230 WeakPolarHBondContact O-CG1 3.44Å; H226-I230 PolarHBondContact O-N 2.64Å; I230-R234 HydrophobicContact CG2-CG 4.42Å; I230-R234 VanDerWaalsContact CG2-CZ 3.43Å; I230-R234 WeakPolarHBondContact O-CB 3.32Å; I230-R234 WeakPolarHBondContact O-CG 3.47Å; I230-R234 PolarHBondContact O-N 2.79Å
231	H	98.7	Very high	98.6	Very high	125 Å²	125	105.1 Å²	105.1	58%	0.579	50%	0.498	S	S	*	.	H	α-helix	trans	-66	-45.4	177.7	-173.9	53.1	0	0	0	112.1	S227 N228 E229 R234 E235	S227-H231 PolarHBondContact O-N 2.93Å; N228-H231 WeakPolarHBondContact O-CB 3.38Å; N228-H231 PolarHBondContact O-N 2.82Å; E229-H231 VanDerWaalsContact C-N 3.26Å; E229-H231 PolarHBondContact O-N 2.66Å; H231-R234 PolarHBondContact O-N 3.32Å; H231-E235 VanDerWaalsContact O-CB 3.3Å; H231-E235 WeakPolarHBondContact O-CB 3.06Å; H231-E235 PolarHBondContact O-N 3.26Å
232	V	98.7	Very high	98.5	Very high	97 Å²	97	104.3 Å²	104.3	59%	0.588	49%	0.494	S	S	*	.	H	α-helix	trans	-62.6	-41.8	176.3	170.2	0	0	0	0	111.6	N228 E229 E235 R236	N228-V232 WeakPolarHBondContact O-CG2 3.27Å; N228-V232 PolarHBondContact O-N 2.91Å; E229-V232 PolarHBondContact O-N 3.49Å; V232-E235 PolarHBondContact O-N 3.14Å; V232-R236 WeakPolarHBondContact O-CB 3.4Å; V232-R236 PolarHBondContact O-N 2.95Å
233	L	98.6	Very high	98.5	Very high	90 Å²	90	106.2 Å²	106.2	47%	0.471	49%	0.494	S	S	.	.	H	α-helix	trans	-67.6	-42.9	177.5	-70.2	174.4	0	0	0	112	E229 E235 R236 L237	E229-L233 HydrophobicContact CG-CD1 3.96Å; E229-L233 HydrophobicContact CG-CG 4.38Å; E229-L233 WeakPolarHBondContact O-CB 3.4Å; E229-L233 WeakPolarHBondContact O-CG 3.47Å; E229-L233 PolarHBondContact O-N 2.89Å; L233-E235 VanDerWaalsContact C-N 3.33Å; L233-E235 PolarHBondContact O-N 2.99Å; L233-R236 PolarHBondContact O-N 3.04Å; L233-L237 WeakPolarHBondContact O-CB 3.24Å; L233-L237 PolarHBondContact O-N 3.09Å
234	R	98.6	Very high	98.5	Very high	175 Å²	175	106.4 Å²	106.4	66%	0.66	49%	0.492	S	S	*	.	H	α-helix	trans	-61.8	-40.6	173.3	-74.9	172.1	-179.8	175.7	3.1	111.9	I230 H231 L237 R238	I230-R234 HydrophobicContact CG2-CG 4.42Å; I230-R234 VanDerWaalsContact CG2-CZ 3.43Å; I230-R234 WeakPolarHBondContact O-CB 3.32Å; I230-R234 WeakPolarHBondContact O-CG 3.47Å; I230-R234 PolarHBondContact O-N 2.79Å; H231-R234 PolarHBondContact O-N 3.32Å; R234-L237 PolarHBondContact O-N 3.38Å; R234-R238 WeakPolarHBondContact O-CB 3.46Å; R234-R238 PolarHBondContact O-N 2.94Å
235	E	98.4	Very high	98.5	Very high	36 Å²	36	108.9 Å²	108.9	17%	0.168	49%	0.491	C	S	.	.	H	α-helix	trans	-70.7	-38.3	177.8	177.5	60.9	-179.5	0	0	112.2	H231 V232 L233 R238 R239	H231-E235 VanDerWaalsContact O-CB 3.3Å; H231-E235 WeakPolarHBondContact O-CB 3.06Å; H231-E235 PolarHBondContact O-N 3.26Å; V232-E235 PolarHBondContact O-N 3.14Å; L233-E235 VanDerWaalsContact C-N 3.33Å; L233-E235 PolarHBondContact O-N 2.99Å; E235-R238 PolarHBondContact O-N 2.91Å; E235-R238 IonicContact OE1-CZ 2.77Å; E235-R238 IonicContact OE1-NE 3.02Å; E235-R238 IonicContact OE1-NH2 3.57Å; E235-R238 PolarHBondContact OE1-NH2 3.22Å; E235-R238 IonicContact OE2-CZ 2.73Å; E235-R238 IonicContact OE2-NE 3.29Å; E235-R238 PolarHBondContact OE2-NE 3.13Å; E235-R238 IonicContact OE2-NH2 3.51Å; E235-R238 PolarHBondContact OE2-NH2 3.47Å; E235-R239 WeakPolarHBondContact O-CB 3.48Å; E235-R239 VanDerWaalsContact O-CG 3.29Å; E235-R239 WeakPolarHBondContact O-CG 3.34Å; E235-R239 PolarHBondContact O-N 2.94Å; E235-R239 IonicContact OE1-CZ 3.8Å; E235-R239 IonicContact OE1-NE 3.19Å; E235-R239 PolarHBondContact OE1-NE 2.96Å; E235-R239 IonicContact OE1-NH2 3.17Å; E235-R239 PolarHBondContact OE1-NH2 3.46Å
236	R	98.5	Very high	98.5	Very high	178 Å²	178	103 Å²	103	67%	0.672	47%	0.474	S	S	*	.	H	α-helix	trans	-60.4	-46.7	171.4	-175.3	178.2	179.8	-178.7	0.2	110.7	V232 L233 R239 T240	V232-R236 WeakPolarHBondContact O-CB 3.4Å; V232-R236 PolarHBondContact O-N 2.95Å; L233-R236 PolarHBondContact O-N 3.04Å; R236-R239 PolarHBondContact O-N 3.28Å; R236-T240 PolarHBondContact O-N 3.32Å; R236-T240 PolarHBondContact O-OG1 2.99Å
237	L	98.5	Very high	98.4	Very high	98 Å²	98	101 Å²	101	51%	0.513	47%	0.474	S	S	.	.	H	α-helix	trans	-59.3	-47.8	175.5	179.3	62	0	0	0	111.6	L233 R234 R239 T240 Q241	L233-L237 WeakPolarHBondContact O-CB 3.24Å; L233-L237 PolarHBondContact O-N 3.09Å; R234-L237 PolarHBondContact O-N 3.38Å; L237-R239 VanDerWaalsContact C-N 3.32Å; L237-R239 PolarHBondContact O-N 3.15Å; L237-T240 PolarHBondContact O-N 3.29Å; L237-Q241 HydrophobicContact CD1-CG 4.23Å; L237-Q241 WeakPolarHBondContact O-CG 3.43Å; L237-Q241 PolarHBondContact O-N 2.97Å
238	R	98.6	Very high	98.4	Very high	156 Å²	156	103.2 Å²	103.2	59%	0.589	48%	0.477	S	S	*	.	H	α-helix	trans	-56.8	-43.9	176.6	-172.5	176.3	72.4	122.4	2	112	R234 E235 E242	R234-R238 WeakPolarHBondContact O-CB 3.46Å; R234-R238 PolarHBondContact O-N 2.94Å; E235-R238 PolarHBondContact O-N 2.91Å; E235-R238 IonicContact OE1-CZ 2.77Å; E235-R238 IonicContact OE1-NE 3.02Å; E235-R238 IonicContact OE1-NH2 3.57Å; E235-R238 PolarHBondContact OE1-NH2 3.22Å; E235-R238 IonicContact OE2-CZ 2.73Å; E235-R238 IonicContact OE2-NE 3.29Å; E235-R238 PolarHBondContact OE2-NE 3.13Å; E235-R238 IonicContact OE2-NH2 3.51Å; E235-R238 PolarHBondContact OE2-NH2 3.47Å; R238-E242 PolarHBondContact O-N 3.41Å
239	R	98.4	Very high	98.4	Very high	140 Å²	140	103.7 Å²	103.7	53%	0.528	47%	0.471	S	S	.	.	H	α-helix	trans	-68.9	-36.1	177.3	-69.1	173.9	-169.5	-179	6.9	112.7	E235 R236 L237 R243	E235-R239 WeakPolarHBondContact O-CB 3.48Å; E235-R239 VanDerWaalsContact O-CG 3.29Å; E235-R239 WeakPolarHBondContact O-CG 3.34Å; E235-R239 PolarHBondContact O-N 2.94Å; E235-R239 IonicContact OE1-CZ 3.8Å; E235-R239 IonicContact OE1-NE 3.19Å; E235-R239 PolarHBondContact OE1-NE 2.96Å; E235-R239 IonicContact OE1-NH2 3.17Å; E235-R239 PolarHBondContact OE1-NH2 3.46Å; R236-R239 PolarHBondContact O-N 3.28Å; L237-R239 VanDerWaalsContact C-N 3.32Å; L237-R239 PolarHBondContact O-N 3.15Å; R239-R243 WeakPolarHBondContact O-CG 3.4Å; R239-R243 PolarHBondContact O-N 2.97Å; R239-R243 VanDerWaalsContact O-N 3.15Å; R239-R243 PolarHBondContact O-NH1 2.89Å
240	T	98.1	Very high	98.4	Very high	70 Å²	70	106.6 Å²	106.6	43%	0.429	48%	0.477	S	S	.	.	H	α-helix	trans	-66.8	-48	174.5	-62.8	0	0	0	0	110.9	R236 L237 E242 R243 E244	R236-T240 PolarHBondContact O-N 3.32Å; R236-T240 PolarHBondContact O-OG1 2.99Å; L237-T240 PolarHBondContact O-N 3.29Å; T240-E242 VanDerWaalsContact C-N 3.29Å; T240-E242 PolarHBondContact O-N 3.05Å; T240-R243 WeakPolarHBondContact O-CB 3.44Å; T240-R243 PolarHBondContact O-N 3.49Å; T240-R243 VanDerWaalsContact O-N 3.14Å; T240-E244 WeakPolarHBondContact O-CB 3.42Å; T240-E244 PolarHBondContact O-N 3.49Å
241	Q	98.3	Very high	98.4	Very high	71 Å²	71	108.6 Å²	108.6	33%	0.332	49%	0.488	S	S	.	.	H	α-helix	trans	-61.3	-33.6	177.4	-73	-178.3	-8	0	0	113.3	L237 E244 R245	L237-Q241 HydrophobicContact CD1-CG 4.23Å; L237-Q241 WeakPolarHBondContact O-CG 3.43Å; L237-Q241 PolarHBondContact O-N 2.97Å; Q241-E244 WeakPolarHBondContact O-CB 3.39Å; Q241-R245 WeakPolarHBondContact O-CG 3.48Å; Q241-R245 PolarHBondContact O-N 3.48Å
242	E	98.3	Very high	98.3	Very high	80 Å²	80	108.5 Å²	108.5	37%	0.374	49%	0.485	S	S	.	.	H	α-helix	trans	-74.8	-35.9	175.4	-166.7	53	-146.6	0	0	112.3	R238 T240 R245 T246 R249	R238-E242 PolarHBondContact O-N 3.41Å; T240-E242 VanDerWaalsContact C-N 3.29Å; T240-E242 PolarHBondContact O-N 3.05Å; E242-R245 PolarHBondContact O-N 2.76Å; E242-R245 IonicContact OE2-CZ 3.51Å; E242-R245 IonicContact OE2-NH1 2.67Å; E242-R245 PolarHBondContact OE2-NH1 2.91Å; E242-T246 WeakPolarHBondContact O-CG2 3.34Å; E242-T246 PolarHBondContact O-N 3.49Å; E242-T246 PolarHBondContact O-OG1 3.33Å; E242-R249 IonicContact OE1-CZ 2.96Å; E242-R249 IonicContact OE1-NH1 3.23Å; E242-R249 IonicContact OE1-NH2 2.67Å; E242-R249 PolarHBondContact OE1-NH2 3.24Å
243	R	98.3	Very high	98.3	Very high	156 Å²	156	109.7 Å²	109.7	59%	0.589	49%	0.485	S	S	*	.	H	α-helix	trans	-61.2	-46.5	170.7	-71.9	-178.6	-164.5	105.1	-10.3	111.4	R239 T240 T246 A247	R239-R243 WeakPolarHBondContact O-CG 3.4Å; R239-R243 PolarHBondContact O-N 2.97Å; R239-R243 VanDerWaalsContact O-N 3.15Å; R239-R243 PolarHBondContact O-NH1 2.89Å; T240-R243 WeakPolarHBondContact O-CB 3.44Å; T240-R243 PolarHBondContact O-N 3.49Å; T240-R243 VanDerWaalsContact O-N 3.14Å; R243-T246 WeakPolarHBondContact CA-OG1 3.19Å; R243-T246 CarbonylContact O-C 3.59Å; R243-T246 PolarHBondContact O-N 2.95Å; R243-T246 PolarHBondContact O-OG1 2.68Å; R243-A247 PolarHBondContact O-N 3.08Å
244	E	97.9	Very high	98.3	Very high	107 Å²	107	108.6 Å²	108.6	50%	0.5	48%	0.484	S	S	.	.	H	α-helix	trans	-50.9	-56.4	172.5	177.5	176	-132	0	0	110.5	T240 Q241 T246 A247 E248	T240-E244 WeakPolarHBondContact O-CB 3.42Å; T240-E244 PolarHBondContact O-N 3.49Å; Q241-E244 WeakPolarHBondContact O-CB 3.39Å; E244-T246 VanDerWaalsContact C-N 3.27Å; E244-T246 PolarHBondContact O-N 2.83Å; E244-A247 CarbonylContact O-C 3.59Å; E244-A247 WeakPolarHBondContact O-CA 3.39Å; E244-A247 WeakPolarHBondContact O-CB 3.22Å; E244-A247 PolarHBondContact O-N 3.34Å; E244-E248 WeakPolarHBondContact O-CG 3.2Å; E244-E248 PolarHBondContact O-N 2.93Å
245	R	98.5	Very high	98.3	Very high	101 Å²	101	104.6 Å²	104.6	38%	0.381	47%	0.473	S	S	.	.	H	α-helix	trans	-58	-33	175.3	-68.6	177.4	-155	113.5	10.4	114.3	Q241 E242 E248 R249	Q241-R245 WeakPolarHBondContact O-CG 3.48Å; Q241-R245 PolarHBondContact O-N 3.48Å; E242-R245 PolarHBondContact O-N 2.76Å; E242-R245 IonicContact OE2-CZ 3.51Å; E242-R245 IonicContact OE2-NH1 2.67Å; E242-R245 PolarHBondContact OE2-NH1 2.91Å; R245-E248 WeakPolarHBondContact CA-OE2 3.2Å; R245-R249 VanDerWaalsContact C-NH2 3.34Å; R245-R249 WeakPolarHBondContact O-CG 3.4Å; R245-R249 PolarHBondContact O-N 3.33Å; R245-R249 PolarHBondContact O-NE 3.34Å; R245-R249 PolarHBondContact O-NH2 3.47Å
246	T	98.1	Very high	98.3	Very high	45 Å²	45	106.4 Å²	106.4	28%	0.276	48%	0.482	S	S	.	.	H	α-helix	trans	-74.1	-29.9	174.7	61.2	0	0	0	0	112.8	E242 R243 E244 R250	E242-T246 WeakPolarHBondContact O-CG2 3.34Å; E242-T246 PolarHBondContact O-N 3.49Å; E242-T246 PolarHBondContact O-OG1 3.33Å; R243-T246 WeakPolarHBondContact CA-OG1 3.19Å; R243-T246 CarbonylContact O-C 3.59Å; R243-T246 PolarHBondContact O-N 2.95Å; R243-T246 PolarHBondContact O-OG1 2.68Å; E244-T246 VanDerWaalsContact C-N 3.27Å; E244-T246 PolarHBondContact O-N 2.83Å; T246-R250 WeakPolarHBondContact O-CG 3.35Å; T246-R250 PolarHBondContact O-N 3.49Å
247	A	97.9	Very high	98.3	Very high	56 Å²	56	103.4 Å²	103.4	46%	0.463	48%	0.475	S	S	.	.	H	α-helix	trans	-73	-44.5	173.5	0	0	0	0	0	111.1	R243 E244 R249 R250 L251	R243-A247 PolarHBondContact O-N 3.08Å; E244-A247 CarbonylContact O-C 3.59Å; E244-A247 WeakPolarHBondContact O-CA 3.39Å; E244-A247 WeakPolarHBondContact O-CB 3.22Å; E244-A247 PolarHBondContact O-N 3.34Å; A247-R249 VanDerWaalsContact C-N 3.31Å; A247-R249 PolarHBondContact O-N 3.25Å; A247-R250 PolarHBondContact O-N 3.19Å; A247-L251 WeakPolarHBondContact O-CB 3.4Å; A247-L251 PolarHBondContact O-N 3.28Å
248	E	98.3	Very high	98.3	Very high	113 Å²	113	103.1 Å²	103.1	53%	0.528	47%	0.474	S	S	.	.	H	α-helix	trans	-53.1	-46.5	172.4	-69.6	175.8	151.6	0	0	112	E244 R245 L251 K252	E244-E248 WeakPolarHBondContact O-CG 3.2Å; E244-E248 PolarHBondContact O-N 2.93Å; R245-E248 WeakPolarHBondContact CA-OE2 3.2Å; E248-L251 PolarHBondContact O-N 2.85Å; E248-K252 WeakPolarHBondContact O-CB 3.41Å; E248-K252 PolarHBondContact O-N 3.4Å
249	R	98.4	Very high	98.2	Very high	118 Å²	118	101.3 Å²	101.3	45%	0.445	47%	0.472	S	S	.	.	H	α-helix	trans	-59.6	-48.8	176.3	-84.1	170.8	-83.1	171.2	-10	112.1	E242 R245 A247 K252 E253	E242-R249 IonicContact OE1-CZ 2.96Å; E242-R249 IonicContact OE1-NH1 3.23Å; E242-R249 IonicContact OE1-NH2 2.67Å; E242-R249 PolarHBondContact OE1-NH2 3.24Å; R245-R249 VanDerWaalsContact C-NH2 3.34Å; R245-R249 WeakPolarHBondContact O-CG 3.4Å; R245-R249 PolarHBondContact O-N 3.33Å; R245-R249 PolarHBondContact O-NE 3.34Å; R245-R249 PolarHBondContact O-NH2 3.47Å; A247-R249 VanDerWaalsContact C-N 3.31Å; A247-R249 PolarHBondContact O-N 3.25Å; R249-K252 PolarHBondContact O-N 2.95Å; R249-E253 WeakPolarHBondContact O-CB 3.26Å; R249-E253 VanDerWaalsContact O-CG 3.26Å; R249-E253 WeakPolarHBondContact O-CG 3.32Å; R249-E253 PolarHBondContact O-N 3.05Å
250	R	98.3	Very high	98.2	Very high	174 Å²	174	100.9 Å²	100.9	66%	0.657	47%	0.47	S	S	*	.	H	α-helix	trans	-65.6	-37.7	178.5	-71.7	170.7	-179.2	169.7	1.6	113	T246 A247 E253 S254	T246-R250 WeakPolarHBondContact O-CG 3.35Å; T246-R250 PolarHBondContact O-N 3.49Å; A247-R250 PolarHBondContact O-N 3.19Å; R250-E253 PolarHBondContact O-N 3.5Å; R250-S254 PolarHBondContact O-N 3.35Å
251	L	98.2	Very high	98.2	Very high	95 Å²	95	100.2 Å²	100.2	50%	0.497	47%	0.468	S	S	.	.	H	α-helix	trans	-61.8	-51.5	174	176.8	60.7	0	0	0	109.6	A247 E248 E253 S254 E255	A247-L251 WeakPolarHBondContact O-CB 3.4Å; A247-L251 PolarHBondContact O-N 3.28Å; E248-L251 PolarHBondContact O-N 2.85Å; L251-E253 VanDerWaalsContact C-N 3.34Å; L251-E253 PolarHBondContact O-N 3.39Å; L251-S254 CarbonylContact O-C 3.51Å; L251-S254 PolarHBondContact O-N 3.41Å; L251-S254 PolarHBondContact O-OG 3.37Å; L251-E255 HydrophobicContact CD1-CG 4.21Å; L251-E255 HydrophobicContact CG-CG 4.38Å; L251-E255 WeakPolarHBondContact O-CG 3.33Å; L251-E255 PolarHBondContact O-N 3.5Å
252	K	98.6	Very high	98.2	Very high	123 Å²	123	101 Å²	101	54%	0.535	47%	0.472	S	S	.	.	H	α-helix	trans	-60.4	-41.2	177	-176.6	175	175.5	-179.9	0	112.9	E248 R249 S254 E255 E256	E248-K252 WeakPolarHBondContact O-CB 3.41Å; E248-K252 PolarHBondContact O-N 3.4Å; R249-K252 PolarHBondContact O-N 2.95Å; K252-S254 VanDerWaalsContact C-N 3.27Å; K252-S254 PolarHBondContact O-N 3.47Å; K252-E255 PolarHBondContact O-N 3.34Å; K252-E256 WeakPolarHBondContact CE-OE1 3.44Å; K252-E256 HydrophobicContact CG-CG 4.43Å; K252-E256 WeakPolarHBondContact O-CB 3.22Å; K252-E256 WeakPolarHBondContact O-CG 2.98Å; K252-E256 PolarHBondContact O-N 2.67Å
253	E	98.4	Very high	98.2	Very high	122 Å²	122	100.3 Å²	100.3	57%	0.57	48%	0.479	S	S	*	.	H	α-helix	trans	-59	-38.8	174.4	-75.4	162.8	-161.6	0	0	111.8	R249 R250 L251 Q257	R249-E253 WeakPolarHBondContact O-CB 3.26Å; R249-E253 VanDerWaalsContact O-CG 3.26Å; R249-E253 WeakPolarHBondContact O-CG 3.32Å; R249-E253 PolarHBondContact O-N 3.05Å; R250-E253 PolarHBondContact O-N 3.5Å; L251-E253 VanDerWaalsContact C-N 3.34Å; L251-E253 PolarHBondContact O-N 3.39Å; E253-Q257 WeakPolarHBondContact O-CB 3.4Å; E253-Q257 PolarHBondContact O-N 2.86Å; E253-Q257 VanDerWaalsContact O-N 3.11Å
254	S	97.9	Very high	98.2	Very high	66 Å²	66	94.6 Å²	94.6	46%	0.462	47%	0.466	S	S	.	.	H	α-helix	trans	-77.4	-35.3	177.6	80.1	0	0	0	0	113.2	R250 L251 K252 Q257 L258	R250-S254 PolarHBondContact O-N 3.35Å; L251-S254 CarbonylContact O-C 3.51Å; L251-S254 PolarHBondContact O-N 3.41Å; L251-S254 PolarHBondContact O-OG 3.37Å; K252-S254 VanDerWaalsContact C-N 3.27Å; K252-S254 PolarHBondContact O-N 3.47Å; S254-Q257 CarbonylContact O-C 3.52Å; S254-Q257 PolarHBondContact O-N 3.4Å; S254-L258 WeakPolarHBondContact O-CB 3.46Å; S254-L258 PolarHBondContact O-N 2.99Å
255	E	98.3	Very high	98.2	Very high	92 Å²	92	93.1 Å²	93.1	43%	0.43	46%	0.464	S	S	.	.	H	α-helix	trans	-63	-46.3	171.1	-72.4	173.7	159.2	0	0	111.5	L251 K252 Q257 L258 H259	L251-E255 HydrophobicContact CD1-CG 4.21Å; L251-E255 HydrophobicContact CG-CG 4.38Å; L251-E255 WeakPolarHBondContact O-CG 3.33Å; L251-E255 PolarHBondContact O-N 3.5Å; K252-E255 PolarHBondContact O-N 3.34Å; E255-Q257 VanDerWaalsContact C-N 3.28Å; E255-Q257 PolarHBondContact O-N 3.21Å; E255-L258 WeakPolarHBondContact O-CB 3.14Å; E255-L258 PolarHBondContact O-N 2.97Å; E255-H259 PolarHBondContact O-CD2 3.33Å; E255-H259 VanDerWaalsContact O-CD2 3.31Å; E255-H259 PolarHBondContact O-N 3.43Å
256	E	98.4	Very high	98.2	Very high	74 Å²	74	92 Å²	92	35%	0.346	47%	0.468	S	S	.	.	H	α-helix	trans	-61.7	-37.5	173.7	-72.6	-177.2	-166.9	0	0	111.5	K252 H259 R260	K252-E256 WeakPolarHBondContact CE-OE1 3.44Å; K252-E256 HydrophobicContact CG-CG 4.43Å; K252-E256 WeakPolarHBondContact O-CB 3.22Å; K252-E256 WeakPolarHBondContact O-CG 2.98Å; K252-E256 PolarHBondContact O-N 2.67Å; E256-H259 PolarHBondContact O-N 3.23Å; E256-R260 VanDerWaalsContact O-CG 3.24Å; E256-R260 WeakPolarHBondContact O-CG 3.22Å; E256-R260 PolarHBondContact O-N 2.91Å; E256-R260 IonicContact OE2-CZ 2.72Å; E256-R260 IonicContact OE2-NH1 2.76Å; E256-R260 IonicContact OE2-NH2 3.98Å; E256-R260 PolarHBondContact OE2-NH2 2.98Å
257	Q	98.3	Very high	98.1	Very high	114 Å²	114	96.5 Å²	96.5	53%	0.533	48%	0.48	S	S	.	.	H	α-helix	trans	-70.1	-34.9	175.4	-173.5	62.6	3.7	0	0	112.5	E253 S254 E255 R260 S261	E253-Q257 WeakPolarHBondContact O-CB 3.4Å; E253-Q257 PolarHBondContact O-N 2.86Å; E253-Q257 VanDerWaalsContact O-N 3.11Å; S254-Q257 CarbonylContact O-C 3.52Å; S254-Q257 PolarHBondContact O-N 3.4Å; E255-Q257 VanDerWaalsContact C-N 3.28Å; E255-Q257 PolarHBondContact O-N 3.21Å; Q257-R260 PolarHBondContact O-N 3.16Å; Q257-S261 PolarHBondContact O-N 2.94Å
258	L	98.3	Very high	98	Very high	92 Å²	92	98.1 Å²	98.1	48%	0.482	48%	0.481	S	S	.	.	H	α-helix	trans	-64.4	-44.4	171	178	60.6	0	0	0	110.7	S254 E255 R260 S261 Q262	S254-L258 WeakPolarHBondContact O-CB 3.46Å; S254-L258 PolarHBondContact O-N 2.99Å; E255-L258 WeakPolarHBondContact O-CB 3.14Å; E255-L258 PolarHBondContact O-N 2.97Å; L258-R260 PolarHBondContact O-N 3.36Å; L258-S261 PolarHBondContact O-N 3.06Å; L258-S261 PolarHBondContact O-OG 3.07Å; L258-Q262 HydrophobicContact CD1-CG 4.23Å; L258-Q262 HydrophobicContact CG-CG 4.41Å; L258-Q262 WeakPolarHBondContact O-CB 3.27Å; L258-Q262 WeakPolarHBondContact O-CG 3.33Å; L258-Q262 PolarHBondContact O-N 3.45Å
259	H	98.3	Very high	97.8	Very high	118 Å²	118	99.1 Å²	99.1	55%	0.546	48%	0.483	S	S	.	.	H	α-helix	trans	-63.7	-39.2	174.7	-70.1	-40.5	0	0	0	112.8	E255 E256 Q262 A263	E255-H259 PolarHBondContact O-CD2 3.33Å; E255-H259 VanDerWaalsContact O-CD2 3.31Å; E255-H259 PolarHBondContact O-N 3.43Å; E256-H259 PolarHBondContact O-N 3.23Å; H259-Q262 PolarHBondContact ND1-OE1 3.19Å; H259-Q262 PolarHBondContact O-N 3.37Å; H259-A263 WeakPolarHBondContact O-CB 3.5Å; H259-A263 PolarHBondContact O-N 3.49Å
260	R	98.4	Very high	97.6	Very high	132 Å²	132	99.3 Å²	99.3	50%	0.498	49%	0.487	S	S	.	.	H	α-helix	trans	-60.9	-43.2	172.4	-71.7	166.9	-166.6	118.4	9.5	111.6	E256 Q257 L258 A264	E256-R260 VanDerWaalsContact O-CG 3.24Å; E256-R260 WeakPolarHBondContact O-CG 3.22Å; E256-R260 PolarHBondContact O-N 2.91Å; E256-R260 IonicContact OE2-CZ 2.72Å; E256-R260 IonicContact OE2-NH1 2.76Å; E256-R260 IonicContact OE2-NH2 3.98Å; E256-R260 PolarHBondContact OE2-NH2 2.98Å; Q257-R260 PolarHBondContact O-N 3.16Å; L258-R260 PolarHBondContact O-N 3.36Å; R260-A264 WeakPolarHBondContact O-CB 3.37Å; R260-A264 PolarHBondContact O-N 3.03Å
261	S	97.7	Very high	97.3	Very high	55 Å²	55	94.2 Å²	94.2	39%	0.385	47%	0.473	S	S	.	.	H	α-helix	trans	-71.7	-39.7	178.9	75.1	0	0	0	0	112.4	Q257 L258 A263 A264 V265	Q257-S261 PolarHBondContact O-N 2.94Å; L258-S261 PolarHBondContact O-N 3.06Å; L258-S261 PolarHBondContact O-OG 3.07Å; S261-A263 PolarHBondContact O-N 3.26Å; S261-A264 WeakPolarHBondContact O-CB 3.48Å; S261-A264 PolarHBondContact O-N 2.94Å; S261-V265 WeakPolarHBondContact O-CG2 3.38Å; S261-V265 PolarHBondContact O-N 2.96Å
262	Q	98.3	Very high	96.9	Very high	89 Å²	89	93.1 Å²	93.1	42%	0.416	47%	0.47	S	S	.	.	H	α-helix	trans	-57.8	-47.5	171.2	-74.5	169.5	-9.5	0	0	111.4	L258 H259 A264 V265 V266	L258-Q262 HydrophobicContact CD1-CG 4.23Å; L258-Q262 HydrophobicContact CG-CG 4.41Å; L258-Q262 WeakPolarHBondContact O-CB 3.27Å; L258-Q262 WeakPolarHBondContact O-CG 3.33Å; L258-Q262 PolarHBondContact O-N 3.45Å; H259-Q262 PolarHBondContact ND1-OE1 3.19Å; H259-Q262 PolarHBondContact O-N 3.37Å; Q262-A264 VanDerWaalsContact C-N 3.32Å; Q262-A264 PolarHBondContact O-N 2.96Å; Q262-V265 PolarHBondContact O-N 3.45Å; Q262-V266 WeakPolarHBondContact O-CG2 3.4Å; Q262-V266 PolarHBondContact O-N 2.81Å
263	A	98.1	Very high	96.3	Very high	64 Å²	64	91.4 Å²	91.4	53%	0.529	47%	0.467	S	S	.	.	H	α-helix	trans	-62.1	-39	176.2	0	0	0	0	0	112.2	H259 S261 V266 R267	H259-A263 WeakPolarHBondContact O-CB 3.5Å; H259-A263 PolarHBondContact O-N 3.49Å; S261-A263 PolarHBondContact O-N 3.26Å; A263-V266 PolarHBondContact O-N 2.93Å; A263-R267 WeakPolarHBondContact O-CB 3.21Å; A263-R267 PolarHBondContact O-N 2.98Å
264	A	98	Very high	95.6	Very high	37 Å²	37	92 Å²	92	31%	0.306	47%	0.469	S	S	.	.	H	α-helix	trans	-65	-41.9	173.5	0	0	0	0	0	112.4	R260 S261 Q262 R267 L268	R260-A264 WeakPolarHBondContact O-CB 3.37Å; R260-A264 PolarHBondContact O-N 3.03Å; S261-A264 WeakPolarHBondContact O-CB 3.48Å; S261-A264 PolarHBondContact O-N 2.94Å; Q262-A264 VanDerWaalsContact C-N 3.32Å; Q262-A264 PolarHBondContact O-N 2.96Å; A264-R267 PolarHBondContact O-N 3.01Å; A264-L268 WeakPolarHBondContact O-CB 3.46Å; A264-L268 VanDerWaalsContact O-CG 3.32Å; A264-L268 WeakPolarHBondContact O-CG 3.32Å; A264-L268 PolarHBondContact O-N 3Å
265	V	97.7	Very high	94.7	Very high	76 Å²	76	96.1 Å²	96.1	46%	0.461	48%	0.481	S	S	.	.	H	α-helix	trans	-64.8	-42.8	175.3	168.9	0	0	0	0	111.4	S261 Q262 R267 L268 K269	S261-V265 WeakPolarHBondContact O-CG2 3.38Å; S261-V265 PolarHBondContact O-N 2.96Å; Q262-V265 PolarHBondContact O-N 3.45Å; V265-R267 VanDerWaalsContact C-N 3.32Å; V265-R267 PolarHBondContact O-N 3.27Å; V265-L268 PolarHBondContact O-N 3.48Å; V265-K269 WeakPolarHBondContact O-CG 3.47Å; V265-K269 PolarHBondContact O-N 2.86Å
266	V	97.9	Very high	93.2	Very high	78 Å²	78	96.6 Å²	96.6	47%	0.473	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-38.8	175.2	170	0	0	0	0	111.3	Q262 A263 K270	Q262-V266 WeakPolarHBondContact O-CG2 3.4Å; Q262-V266 PolarHBondContact O-N 2.81Å; A263-V266 PolarHBondContact O-N 2.93Å; V266-K270 WeakPolarHBondContact O-CG 3.22Å; V266-K270 PolarHBondContact O-N 3.01Å; V266-K270 VanDerWaalsContact O-N 3.17Å
267	R	97.4	Very high	91.6	Very high	138 Å²	138	97.5 Å²	97.5	52%	0.521	49%	0.49	S	S	.	.	H	α-helix	trans	-65.8	-41	173.2	-175.1	-172.4	62.2	74.4	2.9	112.1	A263 A264 V265 L271	A263-R267 WeakPolarHBondContact O-CB 3.21Å; A263-R267 PolarHBondContact O-N 2.98Å; A264-R267 PolarHBondContact O-N 3.01Å; V265-R267 VanDerWaalsContact C-N 3.32Å; V265-R267 PolarHBondContact O-N 3.27Å; R267-L271 WeakPolarHBondContact O-CG 3.38Å; R267-L271 PolarHBondContact O-N 2.94Å
268	L	95.4	Very high	90.2	Very high	91 Å²	91	93.8 Å²	93.8	48%	0.476	48%	0.483	S	S	.	.	H	α-helix	trans	-68.2	-42.5	178.2	-74.2	169.9	0	0	0	111.9	A264 V265 K270 L271 V272	A264-L268 WeakPolarHBondContact O-CB 3.46Å; A264-L268 VanDerWaalsContact O-CG 3.32Å; A264-L268 WeakPolarHBondContact O-CG 3.32Å; A264-L268 PolarHBondContact O-N 3Å; V265-L268 PolarHBondContact O-N 3.48Å; L268-K270 PolarHBondContact O-N 3.28Å; L268-L271 WeakPolarHBondContact O-CB 3.3Å; L268-L271 PolarHBondContact O-N 3.29Å; L268-L271 VanDerWaalsContact O-N 3.08Å; L268-V272 PolarHBondContact O-N 2.9Å
269	K	94.6	Very high	89.1	Confident	133 Å²	133	93.6 Å²	93.6	58%	0.578	49%	0.485	S	S	*	.	H	α-helix	trans	-54.1	-53.1	172.3	-76.3	-173.8	173.3	-167	0	111	V265 L271 V272 D273	V265-K269 WeakPolarHBondContact O-CG 3.47Å; V265-K269 PolarHBondContact O-N 2.86Å; K269-L271 PolarHBondContact O-N 3.43Å; K269-V272 WeakPolarHBondContact O-CA 3.41Å; K269-V272 WeakPolarHBondContact O-CB 3.46Å; K269-V272 PolarHBondContact O-N 3.39Å; K269-D273 VanDerWaalsContact C-OD2 3.25Å; K269-D273 PolarHBondContact O-N 3.44Å; K269-D273 VanDerWaalsContact O-OD2 3.07Å
270	K	93.1	Very high	88.2	Confident	122 Å²	122	95.4 Å²	95.4	53%	0.53	49%	0.487	S	S	.	.	H	α-helix	trans	-54.7	-30.9	176.4	-73.2	177.6	177.7	-173.1	0	114.2	V266 L268 D273 Q274	V266-K270 WeakPolarHBondContact O-CG 3.22Å; V266-K270 PolarHBondContact O-N 3.01Å; V266-K270 VanDerWaalsContact O-N 3.17Å; L268-K270 PolarHBondContact O-N 3.28Å; K270-D273 WeakPolarHBondContact CA-OD2 3.32Å; K270-D273 PolarHBondContact N-OD2 2.84Å; K270-Q274 VanDerWaalsContact O-CB 3.28Å; K270-Q274 WeakPolarHBondContact O-CB 3.38Å; K270-Q274 VanDerWaalsContact O-CD 3.22Å; K270-Q274 WeakPolarHBondContact O-CG 3.4Å; K270-Q274 PolarHBondContact O-N 2.91Å; K270-Q274 VanDerWaalsContact O-N 3.12Å; K270-Q274 PolarHBondContact O-OE1 3.49Å
271	L	92.3	Very high	87.4	Confident	68 Å²	68	92.5 Å²	92.5	36%	0.356	48%	0.482	S	S	.	.	H	α-helix	trans	-78.3	-36.2	175.7	-71.6	168.7	0	0	0	112.6	R267 L268 K269 Q275	R267-L271 WeakPolarHBondContact O-CG 3.38Å; R267-L271 PolarHBondContact O-N 2.94Å; L268-L271 WeakPolarHBondContact O-CB 3.3Å; L268-L271 PolarHBondContact O-N 3.29Å; L268-L271 VanDerWaalsContact O-N 3.08Å; K269-L271 PolarHBondContact O-N 3.43Å; L271-Q275 WeakPolarHBondContact O-CB 3.46Å; L271-Q275 VanDerWaalsContact O-CG 3.32Å; L271-Q275 WeakPolarHBondContact O-CG 3.39Å; L271-Q275 PolarHBondContact O-N 3.01Å
272	V	88.9	Confident	86.9	Confident	71 Å²	71	95.3 Å²	95.3	43%	0.43	49%	0.489	S	S	.	.	H	α-helix	trans	-65.4	-49.5	171.7	173.7	0	0	0	0	110	L268 K269 Q274 Q275 E276	L268-V272 PolarHBondContact O-N 2.9Å; K269-V272 WeakPolarHBondContact O-CA 3.41Å; K269-V272 WeakPolarHBondContact O-CB 3.46Å; K269-V272 PolarHBondContact O-N 3.39Å; V272-Q274 VanDerWaalsContact C-N 3.26Å; V272-Q274 PolarHBondContact O-N 3.24Å; V272-Q275 PolarHBondContact O-N 3.32Å; V272-E276 HydrophobicContact CG1-CG 4.46Å; V272-E276 WeakPolarHBondContact CG1-OE1 3.33Å; V272-E276 PolarHBondContact O-N 2.88Å
273	D	86.4	Confident	86.3	Confident	88 Å²	88	96.9 Å²	96.9	47%	0.471	50%	0.499	S	S	.	.	H	α-helix	trans	-52	-47.3	175.2	-53.1	-34.1	0	0	0	110.2	K269 K270 Q275 L277	K269-D273 VanDerWaalsContact C-OD2 3.25Å; K269-D273 PolarHBondContact O-N 3.44Å; K269-D273 VanDerWaalsContact O-OD2 3.07Å; K270-D273 WeakPolarHBondContact CA-OD2 3.32Å; K270-D273 PolarHBondContact N-OD2 2.84Å; D273-Q275 PolarHBondContact O-N 3.22Å; D273-L277 WeakPolarHBondContact O-CB 3.37Å; D273-L277 VanDerWaalsContact O-CD1 3.32Å; D273-L277 WeakPolarHBondContact O-CD1 3.28Å; D273-L277 WeakPolarHBondContact O-CG 3.07Å; D273-L277 PolarHBondContact O-N 2.83Å
274	Q	84.8	Confident	85.8	Confident	135 Å²	135	96.6 Å²	96.6	63%	0.631	49%	0.493	S	S	*	.	H	α-helix	trans	-67.7	-29.2	177.8	-77.4	168.4	-0.2	0	0	114.7	K270 V272	K270-Q274 VanDerWaalsContact O-CB 3.28Å; K270-Q274 WeakPolarHBondContact O-CB 3.38Å; K270-Q274 VanDerWaalsContact O-CD 3.22Å; K270-Q274 WeakPolarHBondContact O-CG 3.4Å; K270-Q274 PolarHBondContact O-N 2.91Å; K270-Q274 VanDerWaalsContact O-N 3.12Å; K270-Q274 PolarHBondContact O-OE1 3.49Å; V272-Q274 VanDerWaalsContact C-N 3.26Å; V272-Q274 PolarHBondContact O-N 3.24Å
275	Q	77.4	Confident	85.5	Confident	152 Å²	152	101.3 Å²	101.3	71%	0.71	50%	0.503	S	S	*	.	H	α-helix	trans	-79.9	-37.5	177.5	-78.8	-179.5	0.2	0	0	112.3	L271 V272 D273	L271-Q275 WeakPolarHBondContact O-CB 3.46Å; L271-Q275 VanDerWaalsContact O-CG 3.32Å; L271-Q275 WeakPolarHBondContact O-CG 3.39Å; L271-Q275 PolarHBondContact O-N 3.01Å; V272-Q275 PolarHBondContact O-N 3.32Å; D273-Q275 PolarHBondContact O-N 3.22Å
276	E	67.8	Low	85.2	Confident	102 Å²	102	100.4 Å²	100.4	48%	0.477	50%	0.5	S	S	.	.	H	α-helix	trans	-79.9	-35.6	-179	-69.1	-173.8	-156.2	0	0	112.7	V272 G278 T279 R280	V272-E276 HydrophobicContact CG1-CG 4.46Å; V272-E276 WeakPolarHBondContact CG1-OE1 3.33Å; V272-E276 PolarHBondContact O-N 2.88Å; E276-G278 PolarHBondContact O-N 3.45Å; E276-T279 PolarHBondContact O-OG1 3.27Å; E276-R280 WeakPolarHBondContact O-CB 3.45Å; E276-R280 PolarHBondContact O-N 3.16Å
277	L	65.6	Low	85	Confident	92 Å²	92	103 Å²	103	48%	0.482	51%	0.506	S	S	.	.	H	α-helix	trans	-51.8	-52.9	-175.2	-87.2	164.8	0	0	0	113.7	D273 D281	D273-L277 WeakPolarHBondContact O-CB 3.37Å; D273-L277 VanDerWaalsContact O-CD1 3.32Å; D273-L277 WeakPolarHBondContact O-CD1 3.28Å; D273-L277 WeakPolarHBondContact O-CG 3.07Å; D273-L277 PolarHBondContact O-N 2.83Å; L277-D281 WeakPolarHBondContact O-CB 3.32Å; L277-D281 PolarHBondContact O-N 2.93Å
278	G	67.8	Low	84.9	Confident	37 Å²	37	100.6 Å²	100.6	38%	0.381	50%	0.5	S	S	.	.	H	α-helix	trans	-59.6	-58.6	-174.3	0	0	0	0	0	112.8	E276 R280 D281 E282	E276-G278 PolarHBondContact O-N 3.45Å; G278-R280 PolarHBondContact O-N 3.39Å; G278-D281 PolarHBondContact O-N 2.77Å; G278-E282 WeakPolarHBondContact O-CB 3.47Å; G278-E282 WeakPolarHBondContact O-CG 3.49Å; G278-E282 PolarHBondContact O-N 3.02Å; G278-E282 VanDerWaalsContact O-N 3.08Å
279	T	75.5	Confident	84.9	Confident	87 Å²	87	101.7 Å²	101.7	53%	0.534	50%	0.503	S	S	.	.	H	α-helix	trans	-67.7	-36.2	-177.5	54.4	0	0	0	0	112.2	E276 L283	E276-T279 PolarHBondContact O-OG1 3.27Å; T279-L283 VanDerWaalsContact O-CB 3.27Å; T279-L283 WeakPolarHBondContact O-CB 3.38Å; T279-L283 WeakPolarHBondContact O-CD1 3.47Å; T279-L283 VanDerWaalsContact O-CG 3.22Å; T279-L283 WeakPolarHBondContact O-CG 3.48Å; T279-L283 PolarHBondContact O-N 3.19Å
280	R	79.4	Confident	84.9	Confident	156 Å²	156	100 Å²	100	59%	0.589	50%	0.497	S	S	*	.	H	α-helix	trans	-69.2	-42.8	178	-174.9	-179.1	178.7	134.6	3.5	112.5	E276 G278 E282 L283 S284	E276-R280 WeakPolarHBondContact O-CB 3.45Å; E276-R280 PolarHBondContact O-N 3.16Å; G278-R280 PolarHBondContact O-N 3.39Å; R280-E282 VanDerWaalsContact C-N 3.32Å; R280-L283 PolarHBondContact O-N 2.97Å; R280-S284 VanDerWaalsContact O-CB 3.26Å; R280-S284 WeakPolarHBondContact O-CB 3.19Å; R280-S284 PolarHBondContact O-N 2.67Å; R280-S284 PolarHBondContact O-OG 3.12Å
281	D	82.3	Confident	85.1	Confident	71 Å²	71	98.1 Å²	98.1	38%	0.38	49%	0.489	S	S	.	.	H	α-helix	trans	-76.1	-23.7	-178.7	-66.7	-12	0	0	0	111.8	L277 G278 R285	L277-D281 WeakPolarHBondContact O-CB 3.32Å; L277-D281 PolarHBondContact O-N 2.93Å; G278-D281 PolarHBondContact O-N 2.77Å; D281-R285 WeakPolarHBondContact O-CB 3.48Å; D281-R285 WeakPolarHBondContact O-CG 3.49Å; D281-R285 PolarHBondContact O-N 3.17Å; D281-R285 VanDerWaalsContact O-N 3.13Å; D281-R285 PolarHBondContact O-NE 2.94Å
282	E	85.9	Confident	85.2	Confident	115 Å²	115	98.2 Å²	98.2	54%	0.537	49%	0.492	S	S	.	.	H	α-helix	trans	-77	-43	169.9	-72.3	169.8	-175.5	0	0	112	G278 R280 S284 R285 S286	G278-E282 WeakPolarHBondContact O-CB 3.47Å; G278-E282 WeakPolarHBondContact O-CG 3.49Å; G278-E282 PolarHBondContact O-N 3.02Å; G278-E282 VanDerWaalsContact O-N 3.08Å; R280-E282 VanDerWaalsContact C-N 3.32Å; E282-S284 VanDerWaalsContact C-N 3.31Å; E282-S284 PolarHBondContact O-N 3.5Å; E282-R285 VanDerWaalsContact CG-NH2 3.29Å; E282-R285 PolarHBondContact O-N 3.47Å; E282-S286 WeakPolarHBondContact O-CB 3.45Å; E282-S286 PolarHBondContact O-N 3.07Å; E282-S286 PolarHBondContact O-OG 2.84Å
283	L	85.9	Confident	85.6	Confident	121 Å²	121	102 Å²	102	63%	0.634	50%	0.499	S	S	*	.	H	α-helix	trans	-62.7	-37.8	171	-76.8	167.4	0	0	0	111.7	T279 R280 S286 F287	T279-L283 VanDerWaalsContact O-CB 3.27Å; T279-L283 WeakPolarHBondContact O-CB 3.38Å; T279-L283 WeakPolarHBondContact O-CD1 3.47Å; T279-L283 VanDerWaalsContact O-CG 3.22Å; T279-L283 WeakPolarHBondContact O-CG 3.48Å; T279-L283 PolarHBondContact O-N 3.19Å; R280-L283 PolarHBondContact O-N 2.97Å; L283-S286 WeakPolarHBondContact CA-OG 3.48Å; L283-S286 PolarHBondContact O-OG 2.73Å; L283-F287 WeakPolarHBondContact O-CB 3.48Å; L283-F287 PolarHBondContact O-N 3.22Å
284	S	88.3	Confident	86.1	Confident	58 Å²	58	100.3 Å²	100.3	41%	0.406	50%	0.497	S	S	.	.	H	α-helix	trans	-70	-39.7	178	-57.8	0	0	0	0	112	R280 E282 E288	R280-S284 VanDerWaalsContact O-CB 3.26Å; R280-S284 WeakPolarHBondContact O-CB 3.19Å; R280-S284 PolarHBondContact O-N 2.67Å; R280-S284 PolarHBondContact O-OG 3.12Å; E282-S284 VanDerWaalsContact C-N 3.31Å; E282-S284 PolarHBondContact O-N 3.5Å; S284-E288 PolarHBondContact O-N 2.98Å; S284-E288 VanDerWaalsContact O-N 3.15Å
285	R	91.3	Very high	86.7	Confident	136 Å²	136	97.9 Å²	97.9	51%	0.513	49%	0.486	S	S	.	.	H	α-helix	trans	-66	-51.6	173.4	-85.1	176	-74.6	156	-3.8	112	D281 E282 F287 E288 E289	D281-R285 WeakPolarHBondContact O-CB 3.48Å; D281-R285 WeakPolarHBondContact O-CG 3.49Å; D281-R285 PolarHBondContact O-N 3.17Å; D281-R285 VanDerWaalsContact O-N 3.13Å; D281-R285 PolarHBondContact O-NE 2.94Å; E282-R285 VanDerWaalsContact CG-NH2 3.29Å; E282-R285 PolarHBondContact O-N 3.47Å; R285-F287 VanDerWaalsContact C-N 3.26Å; R285-F287 PolarHBondContact O-N 3.45Å; R285-E288 PolarHBondContact O-N 3.08Å; R285-E288 VanDerWaalsContact O-N 3.09Å; R285-E289 WeakPolarHBondContact O-CB 3.45Å; R285-E289 WeakPolarHBondContact O-CG 3.49Å; R285-E289 PolarHBondContact O-N 3.26Å
286	S	91.3	Very high	87.7	Confident	57 Å²	57	95.3 Å²	95.3	40%	0.399	47%	0.474	S	S	.	.	H	α-helix	trans	-62.1	-31.8	179	52.6	0	0	0	0	112.9	E282 L283 E290	E282-S286 WeakPolarHBondContact O-CB 3.45Å; E282-S286 PolarHBondContact O-N 3.07Å; E282-S286 PolarHBondContact O-OG 2.84Å; L283-S286 WeakPolarHBondContact CA-OG 3.48Å; L283-S286 PolarHBondContact O-OG 2.73Å; S286-E290 WeakPolarHBondContact O-CB 3.26Å; S286-E290 PolarHBondContact O-N 2.86Å
287	F	93.4	Very high	89	Confident	134 Å²	134	92.8 Å²	92.8	59%	0.588	47%	0.47	S	S	*	.	H	α-helix	trans	-64.3	-47.1	170	176.8	-99	0	0	0	112.7	L283 R285 E290 K291	L283-F287 WeakPolarHBondContact O-CB 3.48Å; L283-F287 PolarHBondContact O-N 3.22Å; R285-F287 VanDerWaalsContact C-N 3.26Å; R285-F287 PolarHBondContact O-N 3.45Å; F287-E290 PolarHBondContact O-N 3.3Å; F287-K291 HydrophobicContact CE1-CD 4.05Å; F287-K291 WeakPolarHBondContact O-CB 3.31Å; F287-K291 PolarHBondContact O-N 3.49Å
288	E	95.6	Very high	90.5	Very high	87 Å²	87	93.8 Å²	93.8	41%	0.407	47%	0.473	S	S	.	.	H	α-helix	trans	-69.6	-32.8	177.1	-68.9	-65.4	133.4	0	0	112.7	S284 R285 K291 T292	S284-E288 PolarHBondContact O-N 2.98Å; S284-E288 VanDerWaalsContact O-N 3.15Å; R285-E288 PolarHBondContact O-N 3.08Å; R285-E288 VanDerWaalsContact O-N 3.09Å; E288-K291 WeakPolarHBondContact OE1-CD 3.29Å; E288-K291 IonicContact OE1-NZ 2.7Å; E288-K291 PolarHBondContact OE1-NZ 3.23Å; E288-K291 WeakPolarHBondContact OE2-CD 3.45Å; E288-K291 IonicContact OE2-NZ 3.62Å; E288-K291 PolarHBondContact OE2-NZ 2.93Å; E288-T292 WeakPolarHBondContact O-CB 3.47Å; E288-T292 WeakPolarHBondContact O-CG2 3.46Å; E288-T292 PolarHBondContact O-N 2.96Å; E288-T292 PolarHBondContact O-OG1 2.77Å
289	E	95.6	Very high	91.9	Very high	114 Å²	114	99.1 Å²	99.1	53%	0.533	48%	0.481	S	S	.	.	H	α-helix	trans	-64.5	-47	171.5	-73.2	170.4	-151.9	0	0	112	R285 T292 R293	R285-E289 WeakPolarHBondContact O-CB 3.45Å; R285-E289 WeakPolarHBondContact O-CG 3.49Å; R285-E289 PolarHBondContact O-N 3.26Å; E289-T292 WeakPolarHBondContact CA-OG1 3.39Å; E289-T292 PolarHBondContact O-N 3.49Å; E289-T292 PolarHBondContact O-OG1 2.87Å; E289-R293 WeakPolarHBondContact O-CB 3.3Å; E289-R293 PolarHBondContact O-N 3.42Å
290	E	95.3	Very high	93	Very high	96 Å²	96	100.5 Å²	100.5	45%	0.449	48%	0.48	S	S	.	.	H	α-helix	trans	-71	-35.1	177.5	-168.1	56.6	-135.4	0	0	111.7	S286 F287 R293 A294	S286-E290 WeakPolarHBondContact O-CB 3.26Å; S286-E290 PolarHBondContact O-N 2.86Å; F287-E290 PolarHBondContact O-N 3.3Å; E290-R293 PolarHBondContact O-N 3.03Å; E290-R293 WeakPolarHBondContact OE1-CD 3.37Å; E290-R293 WeakPolarHBondContact OE2-CD 3.49Å; E290-R293 IonicContact OE2-CZ 3.74Å; E290-R293 IonicContact OE2-NE 2.8Å; E290-R293 IonicContact OE2-NH1 3.21Å; E290-R293 PolarHBondContact OE2-NH1 3.47Å; E290-A294 VanDerWaalsContact O-CB 3.27Å; E290-A294 WeakPolarHBondContact O-CB 3.43Å; E290-A294 PolarHBondContact O-N 3.02Å
291	K	95.8	Very high	93.9	Very high	84 Å²	84	96.6 Å²	96.6	37%	0.365	47%	0.473	S	S	.	.	H	α-helix	trans	-63	-39.8	172.3	175.3	-171.5	173.4	-159.2	0	112.2	F287 E288 Q295	F287-K291 HydrophobicContact CE1-CD 4.05Å; F287-K291 WeakPolarHBondContact O-CB 3.31Å; F287-K291 PolarHBondContact O-N 3.49Å; E288-K291 WeakPolarHBondContact OE1-CD 3.29Å; E288-K291 IonicContact OE1-NZ 2.7Å; E288-K291 PolarHBondContact OE1-NZ 3.23Å; E288-K291 WeakPolarHBondContact OE2-CD 3.45Å; E288-K291 IonicContact OE2-NZ 3.62Å; E288-K291 PolarHBondContact OE2-NZ 2.93Å; K291-Q295 WeakPolarHBondContact O-CG 3.44Å; K291-Q295 PolarHBondContact O-N 2.8Å
292	T	96.1	Very high	94.6	Very high	69 Å²	69	97.9 Å²	97.9	42%	0.423	48%	0.475	S	S	.	.	H	α-helix	trans	-71.7	-41.2	174.3	44.7	0	0	0	0	111.6	E288 E289 A294 Q295 E296	E288-T292 WeakPolarHBondContact O-CB 3.47Å; E288-T292 WeakPolarHBondContact O-CG2 3.46Å; E288-T292 PolarHBondContact O-N 2.96Å; E288-T292 PolarHBondContact O-OG1 2.77Å; E289-T292 WeakPolarHBondContact CA-OG1 3.39Å; E289-T292 PolarHBondContact O-N 3.49Å; E289-T292 PolarHBondContact O-OG1 2.87Å; T292-A294 VanDerWaalsContact C-N 3.32Å; T292-A294 PolarHBondContact O-N 3.22Å; T292-Q295 PolarHBondContact O-N 3.47Å; T292-E296 PolarHBondContact O-N 2.84Å
293	R	97.3	Very high	95.2	Very high	151 Å²	151	96.3 Å²	96.3	57%	0.57	47%	0.47	S	S	*	.	H	α-helix	trans	-56.4	-43.4	170.5	-176.8	-179.2	-67.4	155.7	-3.1	112.1	E289 E290 E296 A297	E289-R293 WeakPolarHBondContact O-CB 3.3Å; E289-R293 PolarHBondContact O-N 3.42Å; E290-R293 PolarHBondContact O-N 3.03Å; E290-R293 WeakPolarHBondContact OE1-CD 3.37Å; E290-R293 WeakPolarHBondContact OE2-CD 3.49Å; E290-R293 IonicContact OE2-CZ 3.74Å; E290-R293 IonicContact OE2-NE 2.8Å; E290-R293 IonicContact OE2-NH1 3.21Å; E290-R293 PolarHBondContact OE2-NH1 3.47Å; R293-E296 PolarHBondContact O-N 3.29Å; R293-A297 WeakPolarHBondContact O-CB 3.22Å; R293-A297 PolarHBondContact O-N 3.31Å
294	A	96.4	Very high	95.7	Very high	53 Å²	53	95.8 Å²	95.8	44%	0.438	47%	0.468	S	S	.	.	H	α-helix	trans	-65.8	-39.9	176	0	0	0	0	0	112.4	E290 T292 A297 Q298	E290-A294 VanDerWaalsContact O-CB 3.27Å; E290-A294 WeakPolarHBondContact O-CB 3.43Å; E290-A294 PolarHBondContact O-N 3.02Å; T292-A294 VanDerWaalsContact C-N 3.32Å; T292-A294 PolarHBondContact O-N 3.22Å; A294-A297 PolarHBondContact O-N 2.82Å; A294-Q298 WeakPolarHBondContact O-CB 3.23Å; A294-Q298 PolarHBondContact O-N 3.01Å
295	Q	97.1	Very high	96.1	Very high	83 Å²	83	98.4 Å²	98.4	39%	0.388	47%	0.474	S	S	.	.	H	α-helix	trans	-64.2	-40.2	172.4	-74.8	-179.1	28.8	0	0	112.3	K291 T292 Q298 R299	K291-Q295 WeakPolarHBondContact O-CG 3.44Å; K291-Q295 PolarHBondContact O-N 2.8Å; T292-Q295 PolarHBondContact O-N 3.47Å; Q295-Q298 PolarHBondContact O-N 2.96Å; Q295-R299 VanDerWaalsContact O-CG 3.31Å; Q295-R299 WeakPolarHBondContact O-CG 3.35Å; Q295-R299 PolarHBondContact O-N 3.48Å
296	E	97.4	Very high	96.4	Very high	98 Å²	98	97.8 Å²	97.8	46%	0.458	47%	0.471	S	S	.	.	H	α-helix	trans	-64.7	-43	173.4	-77.7	-167.3	-163.4	0	0	112.5	T292 R293 Q298 R299 K300	T292-E296 PolarHBondContact O-N 2.84Å; R293-E296 PolarHBondContact O-N 3.29Å; E296-Q298 VanDerWaalsContact C-N 3.31Å; E296-Q298 PolarHBondContact O-N 2.89Å; E296-R299 PolarHBondContact O-N 3.4Å; E296-K300 WeakPolarHBondContact O-CB 3.32Å; E296-K300 WeakPolarHBondContact O-CD 3.38Å; E296-K300 VanDerWaalsContact O-CG 3.28Å; E296-K300 WeakPolarHBondContact O-CG 3.48Å; E296-K300 PolarHBondContact O-N 2.84Å; E296-K300 IonicContact OE2-NZ 3.9Å; E296-K300 PolarHBondContact OE2-NZ 2.87Å
297	A	96	Very high	96.7	Very high	49 Å²	49	98.5 Å²	98.5	41%	0.405	48%	0.476	S	S	.	.	H	α-helix	trans	-59.7	-43.7	174.7	0	0	0	0	0	110.7	R293 A294 R299 K300 V301	R293-A297 WeakPolarHBondContact O-CB 3.22Å; R293-A297 PolarHBondContact O-N 3.31Å; A294-A297 PolarHBondContact O-N 2.82Å; A297-R299 VanDerWaalsContact C-N 3.33Å; A297-R299 PolarHBondContact O-N 2.81Å; A297-K300 PolarHBondContact O-N 2.98Å; A297-V301 WeakPolarHBondContact O-CG2 3.44Å; A297-V301 PolarHBondContact O-N 3.5Å
298	Q	96.9	Very high	96.9	Very high	114 Å²	114	97.4 Å²	97.4	53%	0.533	48%	0.475	S	S	.	.	H	α-helix	trans	-64.2	-34.6	176	-162.3	-170.4	44.2	0	0	112.8	A294 Q295 E296 K302	A294-Q298 WeakPolarHBondContact O-CB 3.23Å; A294-Q298 PolarHBondContact O-N 3.01Å; Q295-Q298 PolarHBondContact O-N 2.96Å; E296-Q298 VanDerWaalsContact C-N 3.31Å; E296-Q298 PolarHBondContact O-N 2.89Å; Q298-K302 WeakPolarHBondContact O-CG 3.47Å; Q298-K302 PolarHBondContact O-N 3.49Å; Q298-K302 VanDerWaalsContact O-N 3.11Å
299	R	97.6	Very high	96.9	Very high	149 Å²	149	99.8 Å²	99.8	56%	0.562	49%	0.486	S	S	*	.	H	α-helix	trans	-66	-50.6	172	-69.4	170.1	-160.6	-178.9	8.1	110.7	Q295 E296 A297 V301 K302 D303	Q295-R299 VanDerWaalsContact O-CG 3.31Å; Q295-R299 WeakPolarHBondContact O-CG 3.35Å; Q295-R299 PolarHBondContact O-N 3.48Å; E296-R299 PolarHBondContact O-N 3.4Å; A297-R299 VanDerWaalsContact C-N 3.33Å; A297-R299 PolarHBondContact O-N 2.81Å; R299-V301 VanDerWaalsContact C-N 3.32Å; R299-V301 PolarHBondContact O-N 3.49Å; R299-K302 CarbonylContact O-C 3.51Å; R299-K302 WeakPolarHBondContact O-CA 3.41Å; R299-K302 WeakPolarHBondContact O-CB 3.35Å; R299-K302 PolarHBondContact O-N 2.86Å; R299-D303 PolarHBondContact O-N 3.22Å; R299-D303 VanDerWaalsContact O-OD2 3.11Å
300	K	98.1	Very high	97	Very high	116 Å²	116	100.4 Å²	100.4	50%	0.504	49%	0.493	S	S	.	.	H	α-helix	trans	-56.2	-42.9	177.7	-70.2	161	-171.2	160.5	0	111.8	E296 A297 D303 L304	E296-K300 WeakPolarHBondContact O-CB 3.32Å; E296-K300 WeakPolarHBondContact O-CD 3.38Å; E296-K300 VanDerWaalsContact O-CG 3.28Å; E296-K300 WeakPolarHBondContact O-CG 3.48Å; E296-K300 PolarHBondContact O-N 2.84Å; E296-K300 IonicContact OE2-NZ 3.9Å; E296-K300 PolarHBondContact OE2-NZ 2.87Å; A297-K300 PolarHBondContact O-N 2.98Å; K300-D303 PolarHBondContact O-N 2.92Å; K300-L304 WeakPolarHBondContact O-CB 3.48Å; K300-L304 VanDerWaalsContact O-CG 3.3Å; K300-L304 WeakPolarHBondContact O-CG 3.28Å; K300-L304 PolarHBondContact O-N 3.33Å
301	V	97.6	Very high	97	Very high	73 Å²	73	98 Å²	98	44%	0.442	49%	0.486	S	S	.	.	H	α-helix	trans	-59.2	-50.9	172.1	169	0	0	0	0	110.8	A297 R299 D303 L304 E305	A297-V301 WeakPolarHBondContact O-CG2 3.44Å; A297-V301 PolarHBondContact O-N 3.5Å; R299-V301 VanDerWaalsContact C-N 3.32Å; R299-V301 PolarHBondContact O-N 3.49Å; V301-D303 VanDerWaalsContact C-N 3.26Å; V301-D303 PolarHBondContact O-N 3.43Å; V301-L304 PolarHBondContact O-N 3.06Å; V301-L304 VanDerWaalsContact O-N 3.12Å; V301-E305 HydrophobicContact CG1-CG 4.21Å; V301-E305 WeakPolarHBondContact CG1-OE1 3.36Å; V301-E305 WeakPolarHBondContact O-CB 3.45Å; V301-E305 VanDerWaalsContact O-CG 3.31Å; V301-E305 WeakPolarHBondContact O-CG 3.46Å; V301-E305 PolarHBondContact O-N 3.1Å
302	K	97.8	Very high	97.1	Very high	99 Å²	99	97.9 Å²	97.9	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-62.9	-27.5	178.3	-73.2	173.6	178.4	177.2	0	114.4	Q298 R299 E305 R306	Q298-K302 WeakPolarHBondContact O-CG 3.47Å; Q298-K302 PolarHBondContact O-N 3.49Å; Q298-K302 VanDerWaalsContact O-N 3.11Å; R299-K302 CarbonylContact O-C 3.51Å; R299-K302 WeakPolarHBondContact O-CA 3.41Å; R299-K302 WeakPolarHBondContact O-CB 3.35Å; R299-K302 PolarHBondContact O-N 2.86Å; K302-E305 WeakPolarHBondContact CA-OE2 3.44Å; K302-R306 PolarHBondContact O-N 2.95Å; K302-R306 PolarHBondContact O-NE 3.34Å; K302-R306 PolarHBondContact O-NH2 2.85Å
303	D	97.7	Very high	97.1	Very high	81 Å²	81	98.5 Å²	98.5	43%	0.433	49%	0.49	S	S	.	.	H	α-helix	trans	-76.1	-40.6	173.6	-70	-48.3	0	0	0	111.3	R299 K300 V301 R306 S307	R299-D303 PolarHBondContact O-N 3.22Å; R299-D303 VanDerWaalsContact O-OD2 3.11Å; K300-D303 PolarHBondContact O-N 2.92Å; V301-D303 VanDerWaalsContact C-N 3.26Å; V301-D303 PolarHBondContact O-N 3.43Å; D303-R306 IonicContact OD1-CZ 3.21Å; D303-R306 IonicContact OD1-NH1 2.68Å; D303-R306 PolarHBondContact OD1-NH1 2.96Å; D303-R306 IonicContact OD1-NH2 3.13Å; D303-R306 PolarHBondContact OD1-NH2 3.32Å; D303-S307 WeakPolarHBondContact O-CB 3.31Å; D303-S307 PolarHBondContact O-N 2.88Å
304	L	97.4	Very high	97.1	Very high	110 Å²	110	94.5 Å²	94.5	58%	0.576	49%	0.486	S	S	*	.	H	α-helix	trans	-66.5	-42.2	174.5	-70.8	170.1	0	0	0	112.2	K300 V301 R306 S307 I308	K300-L304 WeakPolarHBondContact O-CB 3.48Å; K300-L304 VanDerWaalsContact O-CG 3.3Å; K300-L304 WeakPolarHBondContact O-CG 3.28Å; K300-L304 PolarHBondContact O-N 3.33Å; V301-L304 PolarHBondContact O-N 3.06Å; V301-L304 VanDerWaalsContact O-N 3.12Å; L304-R306 PolarHBondContact O-N 3.36Å; L304-S307 WeakPolarHBondContact O-CB 3.38Å; L304-S307 PolarHBondContact O-N 3.43Å; L304-S307 VanDerWaalsContact O-N 3.15Å; L304-I308 WeakPolarHBondContact O-CB 3.45Å; L304-I308 VanDerWaalsContact O-CG1 3.31Å; L304-I308 WeakPolarHBondContact O-CG1 3.48Å; L304-I308 PolarHBondContact O-N 3.14Å
305	E	96.7	Very high	97.1	Very high	113 Å²	113	97.7 Å²	97.7	53%	0.528	49%	0.49	S	S	.	.	H	α-helix	trans	-54.4	-51	173.8	-74.7	169	162.9	0	0	111	V301 K302 S307 I308 E309	V301-E305 HydrophobicContact CG1-CG 4.21Å; V301-E305 WeakPolarHBondContact CG1-OE1 3.36Å; V301-E305 WeakPolarHBondContact O-CB 3.45Å; V301-E305 VanDerWaalsContact O-CG 3.31Å; V301-E305 WeakPolarHBondContact O-CG 3.46Å; V301-E305 PolarHBondContact O-N 3.1Å; K302-E305 WeakPolarHBondContact CA-OE2 3.44Å; E305-S307 PolarHBondContact O-N 2.93Å; E305-I308 PolarHBondContact O-N 2.66Å; E305-E309 WeakPolarHBondContact O-CB 3.23Å; E305-E309 PolarHBondContact O-N 2.91Å
306	R	97.4	Very high	97.1	Very high	124 Å²	124	99 Å²	99	47%	0.468	50%	0.496	S	S	.	.	H	α-helix	trans	-62.3	-38.2	175.2	-84.6	175.4	-80	124.7	-1.8	112.9	K302 D303 L304 E309 L310	K302-R306 PolarHBondContact O-N 2.95Å; K302-R306 PolarHBondContact O-NE 3.34Å; K302-R306 PolarHBondContact O-NH2 2.85Å; D303-R306 IonicContact OD1-CZ 3.21Å; D303-R306 IonicContact OD1-NH1 2.68Å; D303-R306 PolarHBondContact OD1-NH1 2.96Å; D303-R306 IonicContact OD1-NH2 3.13Å; D303-R306 PolarHBondContact OD1-NH2 3.32Å; L304-R306 PolarHBondContact O-N 3.36Å; R306-E309 PolarHBondContact O-N 2.97Å; R306-L310 WeakPolarHBondContact O-CB 3.36Å; R306-L310 VanDerWaalsContact O-CG 3.23Å; R306-L310 WeakPolarHBondContact O-CG 3.39Å; R306-L310 PolarHBondContact O-N 3.49Å
307	S	97.6	Very high	97	Very high	71 Å²	71	102.4 Å²	102.4	50%	0.497	51%	0.505	S	S	.	.	H	α-helix	trans	-65.6	-40.9	176.8	-169.6	0	0	0	0	112.1	D303 L304 E305 S311	D303-S307 WeakPolarHBondContact O-CB 3.31Å; D303-S307 PolarHBondContact O-N 2.88Å; L304-S307 WeakPolarHBondContact O-CB 3.38Å; L304-S307 PolarHBondContact O-N 3.43Å; L304-S307 VanDerWaalsContact O-N 3.15Å; E305-S307 PolarHBondContact O-N 2.93Å; S307-S311 WeakPolarHBondContact O-CB 3.34Å; S307-S311 PolarHBondContact O-N 2.95Å; S307-S311 PolarHBondContact O-OG 2.75Å
308	I	97.1	Very high	97.1	Very high	111 Å²	111	105.2 Å²	105.2	57%	0.569	51%	0.509	S	S	*	.	H	α-helix	trans	-67	-42.4	175.1	-68.3	165.7	0	0	0	110.5	L304 E305 S311 N312	L304-I308 WeakPolarHBondContact O-CB 3.45Å; L304-I308 VanDerWaalsContact O-CG1 3.31Å; L304-I308 WeakPolarHBondContact O-CG1 3.48Å; L304-I308 PolarHBondContact O-N 3.14Å; E305-I308 PolarHBondContact O-N 2.66Å; I308-S311 WeakPolarHBondContact CA-OG 3.48Å; I308-S311 PolarHBondContact O-OG 2.67Å; I308-S311 VanDerWaalsContact O-OG 3.12Å; I308-N312 WeakPolarHBondContact O-CB 3.49Å; I308-N312 PolarHBondContact O-N 2.98Å
309	E	97.3	Very high	97	Very high	138 Å²	138	104.8 Å²	104.8	65%	0.645	51%	0.51	S	S	*	.	H	α-helix	trans	-62.1	-47.6	176.2	-174.2	177.9	-158.8	0	0	112.1	E305 R306 N312 N313	E305-E309 WeakPolarHBondContact O-CB 3.23Å; E305-E309 PolarHBondContact O-N 2.91Å; R306-E309 PolarHBondContact O-N 2.97Å; E309-N312 PolarHBondContact O-N 3.33Å; E309-N313 WeakPolarHBondContact O-CB 3.45Å; E309-N313 PolarHBondContact O-N 2.81Å
310	L	95.8	Very high	96.9	Very high	126 Å²	126	100 Å²	100	66%	0.66	50%	0.503	S	S	*	.	H	α-helix	trans	-65.1	-43.3	178.8	-72.4	170.3	0	0	0	112.4	R306 N313 S314	R306-L310 WeakPolarHBondContact O-CB 3.36Å; R306-L310 VanDerWaalsContact O-CG 3.23Å; R306-L310 WeakPolarHBondContact O-CG 3.39Å; R306-L310 PolarHBondContact O-N 3.49Å; L310-N313 PolarHBondContact O-N 3.25Å; L310-S314 WeakPolarHBondContact O-CB 3.43Å; L310-S314 PolarHBondContact O-N 3.31Å
311	S	96.3	Very high	96.9	Very high	46 Å²	46	96.7 Å²	96.7	32%	0.322	50%	0.497	S	S	.	.	H	α-helix	trans	-67.5	-40.5	176.6	55.5	0	0	0	0	111.8	S307 I308 S314 F315	S307-S311 WeakPolarHBondContact O-CB 3.34Å; S307-S311 PolarHBondContact O-N 2.95Å; S307-S311 PolarHBondContact O-OG 2.75Å; I308-S311 WeakPolarHBondContact CA-OG 3.48Å; I308-S311 PolarHBondContact O-OG 2.67Å; I308-S311 VanDerWaalsContact O-OG 3.12Å; S311-S314 WeakPolarHBondContact O-CB 3.45Å; S311-S314 PolarHBondContact O-N 3.39Å; S311-S314 VanDerWaalsContact O-N 3.17Å; S311-F315 WeakPolarHBondContact O-CD2 3.44Å; S311-F315 WeakPolarHBondContact O-CG 3.34Å; S311-F315 PolarHBondContact O-N 2.93Å
312	N	97.1	Very high	96.7	Very high	81 Å²	81	97.1 Å²	97.1	43%	0.433	49%	0.494	S	S	.	.	H	α-helix	trans	-62	-42.6	173.2	-169.6	4.2	0	0	0	111.7	I308 E309 S314 F315 Q316	I308-N312 WeakPolarHBondContact O-CB 3.49Å; I308-N312 PolarHBondContact O-N 2.98Å; E309-N312 PolarHBondContact O-N 3.33Å; N312-S314 VanDerWaalsContact C-N 3.31Å; N312-S314 PolarHBondContact O-N 3.19Å; N312-F315 PolarHBondContact O-N 3.43Å; N312-Q316 WeakPolarHBondContact O-CB 3.4Å; N312-Q316 VanDerWaalsContact O-CG 3.25Å; N312-Q316 WeakPolarHBondContact O-CG 3.42Å; N312-Q316 PolarHBondContact O-N 3.42Å; N312-Q316 PolarHBondContact OD1-NE2 2.94Å
313	N	97.2	Very high	96.7	Very high	82 Å²	82	99.1 Å²	99.1	44%	0.439	50%	0.503	S	S	.	.	H	α-helix	trans	-60.1	-40.6	172.8	-166.3	-79.6	0	0	0	112	E309 L310 R317	E309-N313 WeakPolarHBondContact O-CB 3.45Å; E309-N313 PolarHBondContact O-N 2.81Å; L310-N313 PolarHBondContact O-N 3.25Å; N313-R317 VanDerWaalsContact O-CB 3.29Å; N313-R317 WeakPolarHBondContact O-CB 3.16Å; N313-R317 PolarHBondContact O-N 2.8Å; N313-R317 PolarHBondContact OD1-NH2 2.96Å
314	S	96.9	Very high	96.6	Very high	67 Å²	67	102.7 Å²	102.7	47%	0.469	52%	0.515	S	S	.	.	H	α-helix	trans	-63.8	-48.6	175.6	-165	0	0	0	0	112	L310 S311 N312 Q316 R317 Q318	L310-S314 WeakPolarHBondContact O-CB 3.43Å; L310-S314 PolarHBondContact O-N 3.31Å; S311-S314 WeakPolarHBondContact O-CB 3.45Å; S311-S314 PolarHBondContact O-N 3.39Å; S311-S314 VanDerWaalsContact O-N 3.17Å; N312-S314 VanDerWaalsContact C-N 3.31Å; N312-S314 PolarHBondContact O-N 3.19Å; S314-Q316 PolarHBondContact O-N 2.84Å; S314-R317 WeakPolarHBondContact O-CB 3.42Å; S314-R317 PolarHBondContact O-N 3.48Å; S314-Q318 PolarHBondContact O-N 2.79Å
315	F	96.6	Very high	96.5	Very high	121 Å²	121	103.1 Å²	103.1	53%	0.531	51%	0.512	S	S	.	.	H	α-helix	trans	-63.6	-40.9	176.7	-67.5	-52.2	0	0	0	112.2	S311 N312 R317 Q318 L319	S311-F315 WeakPolarHBondContact O-CD2 3.44Å; S311-F315 WeakPolarHBondContact O-CG 3.34Å; S311-F315 PolarHBondContact O-N 2.93Å; N312-F315 PolarHBondContact O-N 3.43Å; F315-R317 VanDerWaalsContact C-N 3.33Å; F315-R317 PolarHBondContact O-N 3.23Å; F315-Q318 PolarHBondContact O-N 3.13Å; F315-L319 WeakPolarHBondContact O-CB 3.46Å; F315-L319 VanDerWaalsContact O-CG 3.25Å; F315-L319 WeakPolarHBondContact O-CG 3.36Å; F315-L319 PolarHBondContact O-N 3.24Å
316	Q	96.9	Very high	96.4	Very high	110 Å²	110	101.3 Å²	101.3	51%	0.514	51%	0.508	S	S	.	.	H	α-helix	trans	-61.7	-40.5	174.1	-73.3	175.5	32.4	0	0	111.9	N312 S314 L319 A320	N312-Q316 WeakPolarHBondContact O-CB 3.4Å; N312-Q316 VanDerWaalsContact O-CG 3.25Å; N312-Q316 WeakPolarHBondContact O-CG 3.42Å; N312-Q316 PolarHBondContact O-N 3.42Å; N312-Q316 PolarHBondContact OD1-NE2 2.94Å; S314-Q316 PolarHBondContact O-N 2.84Å; Q316-L319 PolarHBondContact O-N 2.94Å; Q316-A320 VanDerWaalsContact O-CB 3.29Å; Q316-A320 WeakPolarHBondContact O-CB 3.24Å; Q316-A320 PolarHBondContact O-N 3.34Å
317	R	96	Very high	96.3	Very high	169 Å²	169	99.5 Å²	99.5	64%	0.638	51%	0.507	S	S	*	.	H	α-helix	trans	-64.7	-42.1	175	-173.3	-175.3	-53.5	-99.9	-7.8	111.9	N313 S314 F315 A320 A321	N313-R317 VanDerWaalsContact O-CB 3.29Å; N313-R317 WeakPolarHBondContact O-CB 3.16Å; N313-R317 PolarHBondContact O-N 2.8Å; N313-R317 PolarHBondContact OD1-NH2 2.96Å; S314-R317 WeakPolarHBondContact O-CB 3.42Å; S314-R317 PolarHBondContact O-N 3.48Å; F315-R317 VanDerWaalsContact C-N 3.33Å; F315-R317 PolarHBondContact O-N 3.23Å; R317-A320 PolarHBondContact O-N 3.02Å; R317-A321 WeakPolarHBondContact O-CB 3.39Å; R317-A321 PolarHBondContact O-N 3.21Å
318	Q	96.2	Very high	96.3	Very high	108 Å²	108	101.9 Å²	101.9	51%	0.505	51%	0.51	S	S	.	.	H	α-helix	trans	-64.8	-47.5	175	-172.3	178.2	4.1	0	0	111.3	S314 F315 A320 A321 E322	S314-Q318 PolarHBondContact O-N 2.79Å; F315-Q318 PolarHBondContact O-N 3.13Å; Q318-A320 VanDerWaalsContact C-N 3.3Å; Q318-A320 PolarHBondContact O-N 3.21Å; Q318-A321 WeakPolarHBondContact O-CB 3.39Å; Q318-A321 PolarHBondContact O-N 2.97Å; Q318-A321 VanDerWaalsContact O-N 3.11Å; Q318-E322 PolarHBondContact O-N 3.01Å
319	L	95.8	Very high	96.1	Very high	105 Å²	105	99.3 Å²	99.3	55%	0.55	50%	0.502	S	S	.	.	H	α-helix	trans	-60.5	-37.3	175.3	-72.6	169.1	0	0	0	112.2	F315 Q316 K323	F315-L319 WeakPolarHBondContact O-CB 3.46Å; F315-L319 VanDerWaalsContact O-CG 3.25Å; F315-L319 WeakPolarHBondContact O-CG 3.36Å; F315-L319 PolarHBondContact O-N 3.24Å; Q316-L319 PolarHBondContact O-N 2.94Å; L319-K323 VanDerWaalsContact O-CB 3.27Å; L319-K323 WeakPolarHBondContact O-CB 3.34Å; L319-K323 WeakPolarHBondContact O-CG 3.43Å; L319-K323 PolarHBondContact O-N 2.93Å
320	A	96.1	Very high	96	Very high	50 Å²	50	97.7 Å²	97.7	41%	0.413	50%	0.495	S	S	.	.	H	α-helix	trans	-69.2	-36.3	174.1	0	0	0	0	0	112.5	Q316 R317 Q318 K324	Q316-A320 VanDerWaalsContact O-CB 3.29Å; Q316-A320 WeakPolarHBondContact O-CB 3.24Å; Q316-A320 PolarHBondContact O-N 3.34Å; R317-A320 PolarHBondContact O-N 3.02Å; Q318-A320 VanDerWaalsContact C-N 3.3Å; Q318-A320 PolarHBondContact O-N 3.21Å; A320-K324 WeakPolarHBondContact O-CG 2.77Å; A320-K324 PolarHBondContact O-N 3.22Å; A320-K324 VanDerWaalsContact O-N 3.09Å
321	A	96.4	Very high	96	Very high	45 Å²	45	96.7 Å²	96.7	37%	0.372	49%	0.487	S	S	.	.	H	α-helix	trans	-68.2	-46.9	175.1	0	0	0	0	0	111.9	R317 Q318 K324 K325	R317-A321 WeakPolarHBondContact O-CB 3.39Å; R317-A321 PolarHBondContact O-N 3.21Å; Q318-A321 WeakPolarHBondContact O-CB 3.39Å; Q318-A321 PolarHBondContact O-N 2.97Å; Q318-A321 VanDerWaalsContact O-N 3.11Å; A321-K324 WeakPolarHBondContact O-CB 3.47Å; A321-K324 PolarHBondContact O-N 2.98Å; A321-K325 PolarHBondContact O-N 3.47Å
322	E	95.1	Very high	95.9	Very high	82 Å²	82	99.3 Å²	99.3	38%	0.383	49%	0.494	S	S	.	.	H	α-helix	trans	-64.7	-43.3	176.2	-64.1	-47.6	129.5	0	0	111.5	Q318 K324 K325 T326	Q318-E322 PolarHBondContact O-N 3.01Å; E322-K324 VanDerWaalsContact C-N 3.27Å; E322-K324 PolarHBondContact O-N 2.78Å; E322-K325 VanDerWaalsContact CD-NZ 3.33Å; E322-K325 WeakPolarHBondContact O-CB 3.49Å; E322-K325 PolarHBondContact O-N 2.93Å; E322-K325 WeakPolarHBondContact OE1-CE 3.29Å; E322-K325 IonicContact OE1-NZ 2.65Å; E322-K325 PolarHBondContact OE1-NZ 3.24Å; E322-K325 WeakPolarHBondContact OE2-CD 3.32Å; E322-K325 IonicContact OE2-NZ 2.66Å; E322-K325 PolarHBondContact OE2-NZ 3.45Å; E322-T326 PolarHBondContact O-N 3.25Å; E322-T326 PolarHBondContact O-OG1 2.9Å
323	K	96.1	Very high	95.8	Very high	141 Å²	141	100 Å²	100	61%	0.613	50%	0.501	S	S	*	.	H	α-helix	trans	-55.9	-40.6	172.8	-78.4	174.8	179.9	-177.1	0	112.4	L319 T326 I327	L319-K323 VanDerWaalsContact O-CB 3.27Å; L319-K323 WeakPolarHBondContact O-CB 3.34Å; L319-K323 WeakPolarHBondContact O-CG 3.43Å; L319-K323 PolarHBondContact O-N 2.93Å; K323-T326 PolarHBondContact O-N 3.1Å; K323-I327 WeakPolarHBondContact O-CD1 3.28Å; K323-I327 VanDerWaalsContact O-CG1 3.28Å; K323-I327 WeakPolarHBondContact O-CG1 3.45Å; K323-I327 PolarHBondContact O-N 2.96Å
324	K	96.6	Very high	95.7	Very high	157 Å²	157	101.9 Å²	101.9	68%	0.683	51%	0.505	S	S	*	.	H	α-helix	trans	-64.1	-42.2	174.5	-78.9	180	175.9	-170.8	0	112.4	A320 A321 E322 I327 H328	A320-K324 WeakPolarHBondContact O-CG 2.77Å; A320-K324 PolarHBondContact O-N 3.22Å; A320-K324 VanDerWaalsContact O-N 3.09Å; A321-K324 WeakPolarHBondContact O-CB 3.47Å; A321-K324 PolarHBondContact O-N 2.98Å; E322-K324 VanDerWaalsContact C-N 3.27Å; E322-K324 PolarHBondContact O-N 2.78Å; K324-I327 PolarHBondContact O-N 3.38Å; K324-H328 WeakPolarHBondContact O-CB 3.49Å; K324-H328 PolarHBondContact O-N 3.45Å
325	K	96.3	Very high	95.7	Very high	118 Å²	118	101.5 Å²	101.5	51%	0.513	50%	0.502	S	S	.	.	H	α-helix	trans	-61.9	-45.5	173.2	-65.6	179.2	-167.2	163.8	0	111.7	A321 E322 I327 H328 S329	A321-K325 PolarHBondContact O-N 3.47Å; E322-K325 VanDerWaalsContact CD-NZ 3.33Å; E322-K325 WeakPolarHBondContact O-CB 3.49Å; E322-K325 PolarHBondContact O-N 2.93Å; E322-K325 WeakPolarHBondContact OE1-CE 3.29Å; E322-K325 IonicContact OE1-NZ 2.65Å; E322-K325 PolarHBondContact OE1-NZ 3.24Å; E322-K325 WeakPolarHBondContact OE2-CD 3.32Å; E322-K325 IonicContact OE2-NZ 2.66Å; E322-K325 PolarHBondContact OE2-NZ 3.45Å; K325-I327 VanDerWaalsContact C-N 3.32Å; K325-I327 PolarHBondContact O-N 2.95Å; K325-H328 PolarHBondContact O-N 2.93Å; K325-S329 PolarHBondContact O-N 2.93Å; K325-S329 PolarHBondContact O-OG 2.81Å
326	T	93.7	Very high	95.5	Very high	75 Å²	75	100 Å²	100	46%	0.46	50%	0.499	S	S	.	.	H	α-helix	trans	-60.4	-41.9	178.5	-50.2	0	0	0	0	111.6	E322 K323 Q330	E322-T326 PolarHBondContact O-N 3.25Å; E322-T326 PolarHBondContact O-OG1 2.9Å; K323-T326 PolarHBondContact O-N 3.1Å; T326-Q330 WeakPolarHBondContact O-CB 3.28Å; T326-Q330 VanDerWaalsContact O-CG 3.23Å; T326-Q330 WeakPolarHBondContact O-CG 3.45Å; T326-Q330 PolarHBondContact O-N 2.85Å
327	I	95.9	Very high	95.4	Very high	87 Å²	87	99.2 Å²	99.2	45%	0.446	50%	0.495	S	S	.	.	H	α-helix	trans	-62.9	-47.6	174.4	-69.8	164	0	0	0	110.4	K323 K324 K325 S329 Q330 E331	K323-I327 WeakPolarHBondContact O-CD1 3.28Å; K323-I327 VanDerWaalsContact O-CG1 3.28Å; K323-I327 WeakPolarHBondContact O-CG1 3.45Å; K323-I327 PolarHBondContact O-N 2.96Å; K324-I327 PolarHBondContact O-N 3.38Å; K325-I327 VanDerWaalsContact C-N 3.32Å; K325-I327 PolarHBondContact O-N 2.95Å; I327-S329 PolarHBondContact O-N 3.48Å; I327-Q330 CarbonylContact O-C 3.59Å; I327-Q330 WeakPolarHBondContact O-CA 3.31Å; I327-Q330 WeakPolarHBondContact O-CB 3.46Å; I327-Q330 PolarHBondContact O-N 3.08Å; I327-Q330 VanDerWaalsContact O-N 3.07Å; I327-E331 HydrophobicContact CG2-CG 4.45Å; I327-E331 WeakPolarHBondContact CG2-OE1 3.49Å; I327-E331 WeakPolarHBondContact O-CG 3.43Å; I327-E331 PolarHBondContact O-N 2.7Å
328	H	95.9	Very high	95.3	Very high	120 Å²	120	97.7 Å²	97.7	56%	0.556	50%	0.495	S	S	*	.	H	α-helix	trans	-60.3	-45	179.3	-176	42.8	0	0	0	112.7	K324 K325 Q330 E331 E332	K324-H328 WeakPolarHBondContact O-CB 3.49Å; K324-H328 PolarHBondContact O-N 3.45Å; K325-H328 PolarHBondContact O-N 2.93Å; H328-Q330 VanDerWaalsContact C-N 3.31Å; H328-Q330 PolarHBondContact O-N 2.61Å; H328-E331 WeakPolarHBondContact O-CB 3.27Å; H328-E331 PolarHBondContact O-N 3.45Å; H328-E332 PolarHBondContact O-N 3.37Å
329	S	94.2	Very high	95.2	Very high	58 Å²	58	98.1 Å²	98.1	41%	0.406	50%	0.497	S	S	.	.	H	α-helix	trans	-69.1	-26.1	174.5	-61.5	0	0	0	0	113	K325 I327 V333	K325-S329 PolarHBondContact O-N 2.93Å; K325-S329 PolarHBondContact O-OG 2.81Å; I327-S329 PolarHBondContact O-N 3.48Å; S329-V333 WeakPolarHBondContact O-CB 3.46Å; S329-V333 WeakPolarHBondContact O-CG2 3.49Å; S329-V333 PolarHBondContact O-N 3.27Å
330	Q	94.5	Very high	95	Very high	104 Å²	104	97.7 Å²	97.7	49%	0.486	50%	0.495	S	S	.	.	H	α-helix	trans	-72.9	-32.5	169.8	-77	175.3	8.1	0	0	112.5	T326 I327 H328 K334	T326-Q330 WeakPolarHBondContact O-CB 3.28Å; T326-Q330 VanDerWaalsContact O-CG 3.23Å; T326-Q330 WeakPolarHBondContact O-CG 3.45Å; T326-Q330 PolarHBondContact O-N 2.85Å; I327-Q330 CarbonylContact O-C 3.59Å; I327-Q330 WeakPolarHBondContact O-CA 3.31Å; I327-Q330 WeakPolarHBondContact O-CB 3.46Å; I327-Q330 PolarHBondContact O-N 3.08Å; I327-Q330 VanDerWaalsContact O-N 3.07Å; H328-Q330 VanDerWaalsContact C-N 3.31Å; H328-Q330 PolarHBondContact O-N 2.61Å; Q330-K334 WeakPolarHBondContact O-CB 3.38Å; Q330-K334 WeakPolarHBondContact O-CD 3.39Å; Q330-K334 WeakPolarHBondContact O-CG 3.32Å; Q330-K334 PolarHBondContact O-N 3.11Å
331	E	95.4	Very high	94.9	Very high	105 Å²	105	99 Å²	99	49%	0.491	50%	0.495	S	S	.	.	H	α-helix	trans	-69.4	-43.1	172.1	-69.4	163.3	170.8	0	0	110.7	I327 H328 K334 S335	I327-E331 HydrophobicContact CG2-CG 4.45Å; I327-E331 WeakPolarHBondContact CG2-OE1 3.49Å; I327-E331 WeakPolarHBondContact O-CG 3.43Å; I327-E331 PolarHBondContact O-N 2.7Å; H328-E331 WeakPolarHBondContact O-CB 3.27Å; H328-E331 PolarHBondContact O-N 3.45Å; E331-K334 PolarHBondContact O-N 2.87Å; E331-S335 PolarHBondContact O-N 2.88Å
332	E	95.6	Very high	94.9	Very high	101 Å²	101	105.1 Å²	105.1	47%	0.472	51%	0.509	S	S	.	.	H	α-helix	trans	-59	-51.2	172.4	-174	176.6	-154.4	0	0	111.4	H328 K334 S335 L336	H328-E332 PolarHBondContact O-N 3.37Å; E332-K334 VanDerWaalsContact C-N 3.3Å; E332-K334 PolarHBondContact O-N 3.49Å; E332-S335 PolarHBondContact O-N 3.38Å; E332-S335 VanDerWaalsContact O-N 3.08Å; E332-S335 PolarHBondContact O-OG 3.35Å; E332-L336 HydrophobicContact CG-CD1 4.24Å; E332-L336 WeakPolarHBondContact O-CG 3.46Å; E332-L336 PolarHBondContact O-N 3.39Å
333	V	93.9	Very high	94.8	Very high	95 Å²	95	106 Å²	106	58%	0.576	52%	0.516	S	S	*	.	H	α-helix	trans	-59.7	-36.5	176.3	166.1	0	0	0	0	112.4	S329 Q337	S329-V333 WeakPolarHBondContact O-CB 3.46Å; S329-V333 WeakPolarHBondContact O-CG2 3.49Å; S329-V333 PolarHBondContact O-N 3.27Å; V333-Q337 WeakPolarHBondContact O-CB 3.26Å; V333-Q337 PolarHBondContact O-N 2.9Å
334	K	96.6	Very high	94.6	Very high	122 Å²	122	101.7 Å²	101.7	53%	0.53	50%	0.501	S	S	.	.	H	α-helix	trans	-64.5	-46.1	172.4	-75.1	164.1	-171.9	170.1	0	111.5	Q330 E331 E332 L336 Q337 E338	Q330-K334 WeakPolarHBondContact O-CB 3.38Å; Q330-K334 WeakPolarHBondContact O-CD 3.39Å; Q330-K334 WeakPolarHBondContact O-CG 3.32Å; Q330-K334 PolarHBondContact O-N 3.11Å; E331-K334 PolarHBondContact O-N 2.87Å; E332-K334 VanDerWaalsContact C-N 3.3Å; E332-K334 PolarHBondContact O-N 3.49Å; K334-L336 VanDerWaalsContact C-N 3.33Å; K334-L336 PolarHBondContact O-N 2.82Å; K334-Q337 WeakPolarHBondContact O-CB 3.44Å; K334-Q337 PolarHBondContact O-N 3.06Å; K334-Q337 VanDerWaalsContact O-N 3.13Å; K334-E338 WeakPolarHBondContact O-CG 3.41Å; K334-E338 PolarHBondContact O-N 2.82Å
335	S	95.1	Very high	94.4	Very high	58 Å²	58	98.8 Å²	98.8	41%	0.406	49%	0.493	S	S	.	.	H	α-helix	trans	-62.3	-39.4	178.4	71.8	0	0	0	0	112.3	E331 E332 E338 E339	E331-S335 PolarHBondContact O-N 2.88Å; E332-S335 PolarHBondContact O-N 3.38Å; E332-S335 VanDerWaalsContact O-N 3.08Å; E332-S335 PolarHBondContact O-OG 3.35Å; S335-E338 PolarHBondContact O-N 3.02Å; S335-E339 WeakPolarHBondContact O-CG 3.48Å; S335-E339 PolarHBondContact O-N 3.38Å
336	L	94.1	Very high	94.3	Very high	89 Å²	89	98.6 Å²	98.6	47%	0.466	49%	0.492	S	S	.	.	H	α-helix	trans	-67.5	-34.4	173.7	-67.9	171.7	0	0	0	112.7	E332 K334 E339 L340	E332-L336 HydrophobicContact CG-CD1 4.24Å; E332-L336 WeakPolarHBondContact O-CG 3.46Å; E332-L336 PolarHBondContact O-N 3.39Å; K334-L336 VanDerWaalsContact C-N 3.33Å; K334-L336 PolarHBondContact O-N 2.82Å; L336-E339 PolarHBondContact O-N 3.21Å; L336-L340 WeakPolarHBondContact O-CB 3.47Å; L336-L340 WeakPolarHBondContact O-CG 3.45Å; L336-L340 PolarHBondContact O-N 2.95Å
337	Q	94.3	Very high	94	Very high	94 Å²	94	99.9 Å²	99.9	44%	0.439	50%	0.496	S	S	.	.	H	α-helix	trans	-67.6	-43	172.4	-178.4	58.9	50.6	0	0	111.4	V333 K334 E339 L340 D341	V333-Q337 WeakPolarHBondContact O-CB 3.26Å; V333-Q337 PolarHBondContact O-N 2.9Å; K334-Q337 WeakPolarHBondContact O-CB 3.44Å; K334-Q337 PolarHBondContact O-N 3.06Å; K334-Q337 VanDerWaalsContact O-N 3.13Å; Q337-E339 VanDerWaalsContact C-N 3.31Å; Q337-E339 PolarHBondContact O-N 3.08Å; Q337-L340 PolarHBondContact O-N 3.48Å; Q337-D341 PolarHBondContact NE2-OD1 2.81Å; Q337-D341 VanDerWaalsContact NE2-OD1 3.16Å; Q337-D341 PolarHBondContact NE2-OD2 3.41Å; Q337-D341 PolarHBondContact O-N 2.9Å
338	E	94.3	Very high	93.8	Very high	137 Å²	137	100.7 Å²	100.7	64%	0.64	50%	0.496	S	S	*	.	H	α-helix	trans	-61.2	-38.4	174.1	-72.1	173.1	-153.7	0	0	111.7	K334 S335 R342	K334-E338 WeakPolarHBondContact O-CG 3.41Å; K334-E338 PolarHBondContact O-N 2.82Å; S335-E338 PolarHBondContact O-N 3.02Å; E338-R342 WeakPolarHBondContact O-CB 3.36Å; E338-R342 PolarHBondContact O-N 3.02Å
339	E	94.2	Very high	93.3	Very high	117 Å²	117	100.4 Å²	100.4	55%	0.547	50%	0.495	S	S	.	.	H	α-helix	trans	-67.7	-42.5	171.6	-72.5	-160.7	159.8	0	0	113	S335 L336 Q337 R342 L343	S335-E339 WeakPolarHBondContact O-CG 3.48Å; S335-E339 PolarHBondContact O-N 3.38Å; L336-E339 PolarHBondContact O-N 3.21Å; Q337-E339 VanDerWaalsContact C-N 3.31Å; Q337-E339 PolarHBondContact O-N 3.08Å; E339-R342 PolarHBondContact O-N 3.06Å; E339-L343 WeakPolarHBondContact O-CB 3.32Å; E339-L343 WeakPolarHBondContact O-CG 3.41Å; E339-L343 PolarHBondContact O-N 2.78Å
340	L	91.6	Very high	93.1	Very high	96 Å²	96	103.3 Å²	103.3	50%	0.503	50%	0.5	S	S	.	.	H	α-helix	trans	-61.1	-42.7	175	-83.7	171.5	0	0	0	112.1	L336 Q337 R342 L343 T344	L336-L340 WeakPolarHBondContact O-CB 3.47Å; L336-L340 WeakPolarHBondContact O-CG 3.45Å; L336-L340 PolarHBondContact O-N 2.95Å; Q337-L340 PolarHBondContact O-N 3.48Å; L340-R342 VanDerWaalsContact C-N 3.35Å; L340-L343 PolarHBondContact O-N 2.85Å; L340-T344 WeakPolarHBondContact O-CB 3.47Å; L340-T344 PolarHBondContact O-N 3.39Å; L340-T344 PolarHBondContact O-OG1 3.27Å
341	D	93.8	Very high	92.7	Very high	77 Å²	77	103.2 Å²	103.2	41%	0.412	50%	0.5	S	S	.	.	H	α-helix	trans	-67.1	-38.3	176	-73.3	-36.1	0	0	0	111.1	Q337 T344 N345	Q337-D341 PolarHBondContact NE2-OD1 2.81Å; Q337-D341 VanDerWaalsContact NE2-OD1 3.16Å; Q337-D341 PolarHBondContact NE2-OD2 3.41Å; Q337-D341 PolarHBondContact O-N 2.9Å; D341-T344 PolarHBondContact O-N 2.79Å; D341-N345 WeakPolarHBondContact O-CB 3.32Å; D341-N345 PolarHBondContact O-N 3.19Å; D341-N345 PolarHBondContact O-ND2 3.26Å
342	R	94.9	Very high	92.2	Very high	174 Å²	174	106.2 Å²	106.2	66%	0.657	51%	0.507	S	S	*	.	H	α-helix	trans	-66.4	-36.2	174.9	-164.7	176.9	-163.5	173.8	6.1	112.7	E338 E339 L340 K346	E338-R342 WeakPolarHBondContact O-CB 3.36Å; E338-R342 PolarHBondContact O-N 3.02Å; E339-R342 PolarHBondContact O-N 3.06Å; L340-R342 VanDerWaalsContact C-N 3.35Å; R342-K346 WeakPolarHBondContact O-CG 3.45Å; R342-K346 PolarHBondContact O-N 3.11Å
343	L	92.9	Very high	91.7	Very high	102 Å²	102	105 Å²	105	53%	0.534	50%	0.501	S	S	.	.	H	α-helix	trans	-72.8	-41.2	172.6	-72.2	171.4	0	0	0	111.6	E339 L340 N345 K346 L347	E339-L343 WeakPolarHBondContact O-CB 3.32Å; E339-L343 WeakPolarHBondContact O-CG 3.41Å; E339-L343 PolarHBondContact O-N 2.78Å; L340-L343 PolarHBondContact O-N 2.85Å; L343-N345 VanDerWaalsContact C-N 3.33Å; L343-N345 PolarHBondContact O-N 3.28Å; L343-K346 HydrophobicContact CD2-CD 4.48Å; L343-K346 WeakPolarHBondContact O-CB 3.43Å; L343-K346 PolarHBondContact O-N 3.04Å; L343-L347 PolarHBondContact O-N 2.94Å
344	T	92.4	Very high	90.9	Very high	50 Å²	50	105.9 Å²	105.9	31%	0.307	50%	0.502	S	S	.	.	H	α-helix	trans	-63.6	-37.9	176.8	-62.3	0	0	0	0	111.5	L340 D341 L347 K348	L340-T344 WeakPolarHBondContact O-CB 3.47Å; L340-T344 PolarHBondContact O-N 3.39Å; L340-T344 PolarHBondContact O-OG1 3.27Å; D341-T344 PolarHBondContact O-N 2.79Å; T344-L347 WeakPolarHBondContact O-CB 3.4Å; T344-L347 PolarHBondContact O-N 2.89Å; T344-K348 HydrophobicContact CG2-CD 4.21Å; T344-K348 WeakPolarHBondContact O-CG 3.44Å; T344-K348 PolarHBondContact O-N 2.92Å
345	N	91.8	Very high	90.2	Very high	95 Å²	95	104.3 Å²	104.3	51%	0.508	50%	0.499	S	S	.	.	H	α-helix	trans	-69.8	-37	175.1	-72.6	-33.8	0	0	0	112.3	D341 L343 L347 K348 E349	D341-N345 WeakPolarHBondContact O-CB 3.32Å; D341-N345 PolarHBondContact O-N 3.19Å; D341-N345 PolarHBondContact O-ND2 3.26Å; L343-N345 VanDerWaalsContact C-N 3.33Å; L343-N345 PolarHBondContact O-N 3.28Å; N345-L347 VanDerWaalsContact C-N 3.35Å; N345-K348 PolarHBondContact O-N 3.06Å; N345-E349 WeakPolarHBondContact O-CB 3.44Å; N345-E349 PolarHBondContact O-N 3.39Å
346	K	94.1	Very high	89.4	Confident	114 Å²	114	103.7 Å²	103.7	50%	0.496	50%	0.497	S	S	.	.	H	α-helix	trans	-63.5	-38.1	168.8	-71.4	168.8	-179.9	177.3	0	112.1	R342 L343 E349 K350	R342-K346 WeakPolarHBondContact O-CG 3.45Å; R342-K346 PolarHBondContact O-N 3.11Å; L343-K346 HydrophobicContact CD2-CD 4.48Å; L343-K346 WeakPolarHBondContact O-CB 3.43Å; L343-K346 PolarHBondContact O-N 3.04Å; K346-E349 PolarHBondContact O-N 3.11Å; K346-K350 WeakPolarHBondContact O-CG 3.45Å; K346-K350 PolarHBondContact O-N 2.8Å
347	L	88.3	Confident	88.7	Confident	102 Å²	102	104.9 Å²	104.9	53%	0.534	50%	0.499	S	S	.	.	H	α-helix	trans	-61.8	-52.7	174.5	-167.7	88.5	0	0	0	110.2	L343 T344 N345 E349 K350 E351	L343-L347 PolarHBondContact O-N 2.94Å; T344-L347 WeakPolarHBondContact O-CB 3.4Å; T344-L347 PolarHBondContact O-N 2.89Å; N345-L347 VanDerWaalsContact C-N 3.35Å; L347-E349 PolarHBondContact O-N 2.99Å; L347-K350 CarbonylContact O-C 3.58Å; L347-K350 WeakPolarHBondContact O-CA 3.33Å; L347-K350 PolarHBondContact O-N 3.36Å; L347-E351 HydrophobicContact CG-CG 4.47Å; L347-E351 WeakPolarHBondContact O-CG 3.34Å; L347-E351 PolarHBondContact O-N 2.85Å
348	K	91.5	Very high	87.7	Confident	104 Å²	104	104.1 Å²	104.1	45%	0.452	50%	0.498	S	S	.	.	H	α-helix	trans	-60.8	-24.8	176.4	-70.2	168.2	-178.8	169.7	0	113.9	T344 N345 E351 R352	T344-K348 HydrophobicContact CG2-CD 4.21Å; T344-K348 WeakPolarHBondContact O-CG 3.44Å; T344-K348 PolarHBondContact O-N 2.92Å; N345-K348 PolarHBondContact O-N 3.06Å; K348-E351 WeakPolarHBondContact CA-OE2 3.49Å; K348-R352 WeakPolarHBondContact O-CG 3.34Å; K348-R352 PolarHBondContact O-N 3.18Å; K348-R352 PolarHBondContact O-NE 3.42Å
349	E	86.8	Confident	86.5	Confident	115 Å²	115	102.2 Å²	102.2	54%	0.537	49%	0.491	S	S	.	.	H	α-helix	trans	-74.5	-44.5	170	-174.7	173.7	-146.2	0	0	111.5	N345 K346 L347 R352 E353	N345-E349 WeakPolarHBondContact O-CB 3.44Å; N345-E349 PolarHBondContact O-N 3.39Å; K346-E349 PolarHBondContact O-N 3.11Å; L347-E349 PolarHBondContact O-N 2.99Å; E349-R352 PolarHBondContact O-N 2.87Å; E349-E353 PolarHBondContact O-N 2.94Å
350	K	89.1	Confident	85	Confident	118 Å²	118	104.6 Å²	104.6	51%	0.513	50%	0.496	S	S	.	.	H	α-helix	trans	-67.6	-33.9	174.8	-69.5	-71.8	159.3	-165.2	0	113.2	K346 L347 E353 L354	K346-K350 WeakPolarHBondContact O-CG 3.45Å; K346-K350 PolarHBondContact O-N 2.8Å; L347-K350 CarbonylContact O-C 3.58Å; L347-K350 WeakPolarHBondContact O-CA 3.33Å; L347-K350 PolarHBondContact O-N 3.36Å; K350-E353 WeakPolarHBondContact CD-OE2 3.2Å; K350-E353 WeakPolarHBondContact CE-OE2 3.41Å; K350-E353 IonicContact NZ-OE2 2.91Å; K350-E353 PolarHBondContact NZ-OE2 3.4Å; K350-E353 PolarHBondContact O-N 2.88Å; K350-L354 WeakPolarHBondContact O-CB 3.35Å; K350-L354 VanDerWaalsContact O-CG 3.31Å; K350-L354 WeakPolarHBondContact O-CG 3.32Å; K350-L354 PolarHBondContact O-N 3.22Å
351	E	85.4	Confident	83.4	Confident	103 Å²	103	104 Å²	104	48%	0.481	50%	0.5	S	S	.	.	H	α-helix	trans	-63.4	-43.4	171.7	-72.3	171.6	154.5	0	0	111	L347 K348 L354 D355	L347-E351 HydrophobicContact CG-CG 4.47Å; L347-E351 WeakPolarHBondContact O-CG 3.34Å; L347-E351 PolarHBondContact O-N 2.85Å; K348-E351 WeakPolarHBondContact CA-OE2 3.49Å; E351-L354 PolarHBondContact O-N 3.18Å; E351-D355 WeakPolarHBondContact O-CB 3.34Å; E351-D355 PolarHBondContact O-N 3.07Å
352	R	85.8	Confident	81.8	Confident	168 Å²	168	106.1 Å²	106.1	63%	0.634	51%	0.511	S	S	*	.	H	α-helix	trans	-66.5	-36.1	173	-74.7	178.6	-67.5	152.5	2	112.9	K348 E349 A356	K348-R352 WeakPolarHBondContact O-CG 3.34Å; K348-R352 PolarHBondContact O-N 3.18Å; K348-R352 PolarHBondContact O-NE 3.42Å; E349-R352 PolarHBondContact O-N 2.87Å; R352-A356 WeakPolarHBondContact O-CB 3.33Å; R352-A356 PolarHBondContact O-N 2.71Å
353	E	84.1	Confident	80.1	Confident	75 Å²	75	107.3 Å²	107.3	35%	0.35	52%	0.516	S	S	.	.	H	α-helix	trans	-64.9	-40.3	173.1	-166.7	-165.4	140.8	0	0	111.6	E349 K350 K357	E349-E353 PolarHBondContact O-N 2.94Å; K350-E353 WeakPolarHBondContact CD-OE2 3.2Å; K350-E353 WeakPolarHBondContact CE-OE2 3.41Å; K350-E353 IonicContact NZ-OE2 2.91Å; K350-E353 PolarHBondContact NZ-OE2 3.4Å; K350-E353 PolarHBondContact O-N 2.88Å; E353-K357 VanDerWaalsContact O-CG 3.28Å; E353-K357 WeakPolarHBondContact O-CG 3.2Å; E353-K357 PolarHBondContact O-N 3.42Å; E353-K357 VanDerWaalsContact O-N 3.16Å; E353-K357 WeakPolarHBondContact OE1-CE 3.21Å; E353-K357 IonicContact OE1-NZ 2.6Å; E353-K357 PolarHBondContact OE1-NZ 3.47Å
354	L	78.3	Confident	78.3	Confident	113 Å²	113	110.2 Å²	110.2	59%	0.592	53%	0.531	S	S	*	.	H	α-helix	trans	-70.8	-40.8	175.6	-75	173.5	0	0	0	112.2	K350 E351 K357 N358	K350-L354 WeakPolarHBondContact O-CB 3.35Å; K350-L354 VanDerWaalsContact O-CG 3.31Å; K350-L354 WeakPolarHBondContact O-CG 3.32Å; K350-L354 PolarHBondContact O-N 3.22Å; E351-L354 PolarHBondContact O-N 3.18Å; L354-K357 CarbonylContact O-C 3.58Å; L354-K357 WeakPolarHBondContact O-CB 3.46Å; L354-K357 PolarHBondContact O-N 2.92Å; L354-N358 VanDerWaalsContact O-CB 3.25Å; L354-N358 WeakPolarHBondContact O-CB 3.24Å; L354-N358 PolarHBondContact O-N 2.96Å
355	D	80.9	Confident	76	Confident	90 Å²	90	111.5 Å²	111.5	48%	0.481	55%	0.547	S	S	.	.	H	α-helix	trans	-64.2	-44.5	177.2	-175.9	53.7	0	0	0	111.5	E351 K357 N358 I359	E351-D355 WeakPolarHBondContact O-CB 3.34Å; E351-D355 PolarHBondContact O-N 3.07Å; D355-K357 VanDerWaalsContact C-N 3.32Å; D355-K357 PolarHBondContact O-N 3.1Å; D355-N358 WeakPolarHBondContact O-CA 3.32Å; D355-N358 WeakPolarHBondContact O-CB 3.46Å; D355-N358 PolarHBondContact O-N 3.25Å; D355-I359 WeakPolarHBondContact O-CG1 3.4Å; D355-I359 PolarHBondContact O-N 2.91Å
356	A	79.2	Confident	73.4	Confident	44 Å²	44	116.8 Å²	116.8	36%	0.364	57%	0.566	S	S	.	*	H	α-helix	trans	-55	-47.3	170.6	0	0	0	0	0	111.5	R352 N358 I359 Y360	R352-A356 WeakPolarHBondContact O-CB 3.33Å; R352-A356 PolarHBondContact O-N 2.71Å; A356-N358 VanDerWaalsContact C-N 3.32Å; A356-N358 PolarHBondContact O-N 3.46Å; A356-I359 PolarHBondContact O-N 3.25Å; A356-Y360 WeakPolarHBondContact O-CD2 3.3Å; A356-Y360 PolarHBondContact O-N 3.36Å; A356-Y360 VanDerWaalsContact O-N 3.16Å
357	K	78.1	Confident	71.4	Confident	114 Å²	114	117.4 Å²	117.4	50%	0.496	58%	0.581	S	S	.	*	H	α-helix	trans	-64.5	-32.9	175.1	-72.4	170.8	-175.3	175.7	0	113	E353 L354 D355 Y360 S361	E353-K357 VanDerWaalsContact O-CG 3.28Å; E353-K357 WeakPolarHBondContact O-CG 3.2Å; E353-K357 PolarHBondContact O-N 3.42Å; E353-K357 VanDerWaalsContact O-N 3.16Å; E353-K357 WeakPolarHBondContact OE1-CE 3.21Å; E353-K357 IonicContact OE1-NZ 2.6Å; E353-K357 PolarHBondContact OE1-NZ 3.47Å; L354-K357 CarbonylContact O-C 3.58Å; L354-K357 WeakPolarHBondContact O-CB 3.46Å; L354-K357 PolarHBondContact O-N 2.92Å; D355-K357 VanDerWaalsContact C-N 3.32Å; D355-K357 PolarHBondContact O-N 3.1Å; K357-Y360 PolarHBondContact O-N 2.85Å; K357-S361 WeakPolarHBondContact O-CB 3.29Å; K357-S361 PolarHBondContact O-N 2.99Å
358	N	73.8	Confident	68.8	Low	79 Å²	79	117.6 Å²	117.6	42%	0.422	60%	0.598	S	S	.	*	H	α-helix	trans	-69.7	-42.4	178.2	-164.7	-9.1	0	0	0	110.9	L354 D355 A356 Y360 S361 N362	L354-N358 VanDerWaalsContact O-CB 3.25Å; L354-N358 WeakPolarHBondContact O-CB 3.24Å; L354-N358 PolarHBondContact O-N 2.96Å; D355-N358 WeakPolarHBondContact O-CA 3.32Å; D355-N358 WeakPolarHBondContact O-CB 3.46Å; D355-N358 PolarHBondContact O-N 3.25Å; A356-N358 VanDerWaalsContact C-N 3.32Å; A356-N358 PolarHBondContact O-N 3.46Å; N358-Y360 VanDerWaalsContact C-N 3.3Å; N358-Y360 PolarHBondContact O-N 3.03Å; N358-S361 PolarHBondContact O-N 3.01Å; N358-S361 VanDerWaalsContact O-N 3.17Å; N358-N362 PolarHBondContact O-N 3.17Å; N358-N362 PolarHBondContact OD1-ND2 3.07Å
359	I	70.6	Confident	66.2	Low	96 Å²	96	120 Å²	120	49%	0.492	61%	0.614	S	S	.	*	H	α-helix	trans	-58.8	-39.8	171.2	-68	166.5	0	0	0	111.1	D355 A356 R363	D355-I359 WeakPolarHBondContact O-CG1 3.4Å; D355-I359 PolarHBondContact O-N 2.91Å; A356-I359 PolarHBondContact O-N 3.25Å; I359-R363 WeakPolarHBondContact O-CB 3.49Å
360	Y	62.6	Low	63.8	Low	168 Å²	168	125.1 Å²	125.1	66%	0.659	63%	0.629	S	S	*	*	H	α-helix	trans	-69.9	-42.1	172.6	-72.8	-65.9	0	0	0	112.8	A356 K357 N358 R363	A356-Y360 WeakPolarHBondContact O-CD2 3.3Å; A356-Y360 PolarHBondContact O-N 3.36Å; A356-Y360 VanDerWaalsContact O-N 3.16Å; K357-Y360 PolarHBondContact O-N 2.85Å; N358-Y360 VanDerWaalsContact C-N 3.3Å; N358-Y360 PolarHBondContact O-N 3.03Å; Y360-R363 PolarHBondContact O-N 3.43Å
361	S	56.5	Low	61.2	Low	84 Å²	84	127 Å²	127	59%	0.587	64%	0.637	S	S	*	*	H	α-helix	trans	-62.8	-46.9	-179	-167.7	0	0	0	0	112.7	K357 N358 R363	K357-S361 WeakPolarHBondContact O-CB 3.29Å; K357-S361 PolarHBondContact O-N 2.99Å; N358-S361 PolarHBondContact O-N 3.01Å; N358-S361 VanDerWaalsContact O-N 3.17Å; S361-R363 PolarHBondContact O-N 3.2Å
362	N	60	Low	58.5	Low	120 Å²	120	129 Å²	129	64%	0.642	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-9.3	-178.4	-70.6	-26	0	0	0	114	N358	N358-N362 PolarHBondContact O-N 3.17Å; N358-N362 PolarHBondContact OD1-ND2 3.07Å
363	R	60.6	Low	56.3	Low	199 Å²	199	124.5 Å²	124.5	75%	0.751	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-7.2	-176.1	-160.4	167.6	-175.8	176.3	1	114	I359 Y360 S361	I359-R363 WeakPolarHBondContact O-CB 3.49Å; Y360-R363 PolarHBondContact O-N 3.43Å; S361-R363 PolarHBondContact O-N 3.2Å
364	L	54.5	Low	53.9	Low	163 Å²	163	130.8 Å²	130.8	85%	0.853	69%	0.686	S	S	*	*	S	Bend	trans	-111.5	5.3	-175.5	-69.5	176	0	0	0	115.3
365	A	43.8	Very low	52.3	Low	78 Å²	78	130.3 Å²	130.3	65%	0.645	69%	0.692	S	S	*	*			trans	-136.2	102.5	-173.9	0	0	0	0	0	115.2
366	K	36.6	Very low	50	Low	206 Å²	206	131.4 Å²	131.4	90%	0.896	71%	0.707	S	S	*	*			trans	-155.4	153	158	-71	-165.4	179.7	-177.2	0	109.6
367	P	53.1	Low	48	Very low	126 Å²	126	132.9 Å²	132.9	82%	0.818	72%	0.72	S	S	*	*			cis	-130.6	166.4	-46.7	38	-24	0	0	0	111.7
368	A	34.7	Very low	46	Very low	107 Å²	107	137 Å²	137	88%	0.884	74%	0.737	S	S	*	*			trans	-143.1	147.5	172.6	0	0	0	0	0	112.7
369	L	36.7	Very low	44.5	Very low	153 Å²	153	144 Å²	144	80%	0.801	76%	0.758	S	S	*	*			trans	-122.5	109.1	-168.1	169.7	72.2	0	0	0	111.9
370	R	35.2	Very low	43	Very low	224 Å²	224	147.7 Å²	147.7	85%	0.845	77%	0.77	S	S	*	*			trans	-170.1	169	157.3	-71.8	-45	172	-168	-0.4	108
371	K	36	Very low	41.7	Very low	158 Å²	158	146.6 Å²	146.6	69%	0.687	78%	0.775	S	S	*	*			cis	173.7	127.6	-40.3	172.1	177.9	172.1	-178.8	0	105.2
372	D	28	Very low	40.8	Very low	144 Å²	144	148.1 Å²	148.1	77%	0.77	78%	0.781	S	S	*	*			trans	47.8	141.5	164.7	-50.7	-13.5	0	0	0	120.3
373	G	38.8	Very low	39.6	Very low	74 Å²	74	147.8 Å²	147.8	76%	0.763	78%	0.783	S	S	*	*			trans	177.7	59.3	179.4	0	0	0	0	0	115.1	S375	G373-S375 PolarHBondContact O-N 3.44Å
374	E	33.6	Very low	38.7	Very low	207 Å²	207	145.5 Å²	145.5	97%	0.967	79%	0.785	S	S	*	*			trans	-70	110.9	172.9	-72.4	-169.7	114	0	0	112.3
375	S	44.7	Very low	38.2	Very low	102 Å²	102	148.1 Å²	148.1	71%	0.713	79%	0.785	S	S	*	*			trans	-152.4	115.7	158.5	56.3	0	0	0	0	109.1	G373	G373-S375 PolarHBondContact O-N 3.44Å
376	S	32.5	Very low	37.8	Very low	113 Å²	113	148.9 Å²	148.9	79%	0.79	79%	0.786	S	S	*	*			cis	97.3	153.1	36.4	82.6	0	0	0	0	113.8
377	A	38.2	Very low	37.6	Very low	76 Å²	76	144.5 Å²	144.5	63%	0.628	78%	0.776	S	S	*	*			trans	56.6	103.7	179.7	0	0	0	0	0	117.2
378	K	35.3	Very low	37	Very low	199 Å²	199	147.5 Å²	147.5	87%	0.865	78%	0.777	S	S	*	*				51.3	85.4	76.8	-59.8	-179.6	178.2	175.7	0	114.7
379	R	42.3	Very low	36.9	Very low	228 Å²	228	147.1 Å²	147.1	86%	0.86	77%	0.773	S	S	*	*			trans	-144.6	119.9	144.9	-107.6	168.1	-84.5	158.8	-5.3	107.1
380	K	39.5	Very low	37	Very low	172 Å²	172	145.7 Å²	145.7	75%	0.748	77%	0.771	S	S	*	*			cis	103	129.9	31.2	-90.5	-169.7	159	-168.8	0	111
381	L	35.7	Very low	37	Very low	146 Å²	146	142.8 Å²	142.8	76%	0.764	77%	0.767	S	S	*	*			trans	68.6	157.4	153.8	-87.5	88.9	0	0	0	115
382	T	36.2	Very low	37.4	Very low	115 Å²	115	141.4 Å²	141.4	71%	0.706	77%	0.771	S	S	*	*			cis	-179.2	157	-10.6	-106.7	0	0	0	0	107.7
383	V	36.9	Very low	37.9	Very low	113 Å²	113	141.4 Å²	141.4	69%	0.685	77%	0.767	S	S	*	*			cis	-163.1	165.3	-16.7	115.3	0	0	0	0	109.1
384	L	40.8	Very low	37.7	Very low	152 Å²	152	145 Å²	145	80%	0.796	77%	0.769	S	S	*	*			trans	-23.7	145.2	162	-43.4	165.3	0	0	0	117.8
385	Y	43.6	Very low	37.8	Very low	218 Å²	218	145.3 Å²	145.3	86%	0.855	76%	0.761	S	S	*	*				-154.5	130.4	114.6	57.8	-100	0	0	0	109
386	S	35.5	Very low	37.4	Very low	94 Å²	94	146.2 Å²	146.2	66%	0.657	76%	0.763	S	S	*	*				86.8	132.1	74.9	-148.4	0	0	0	0	111
387	T	33.5	Very low	37.7	Very low	114 Å²	114	146.2 Å²	146.2	70%	0.699	76%	0.762	S	S	*	*			cis	-163.1	166.3	9.3	-10.2	0	0	0	0	114.1
388	K	39.4	Very low	37.9	Very low	189 Å²	189	147.7 Å²	147.7	82%	0.822	77%	0.768	S	S	*	*			trans	71.8	124.8	151.1	-73.9	-178.3	-178.6	-175	0	119.8
389	A	32.9	Very low	38.1	Very low	99 Å²	99	146.8 Å²	146.8	82%	0.818	77%	0.767	S	S	*	*			trans	-94.4	152.2	150.1	0	0	0	0	0	110.3
390	V	38.1	Very low	37.7	Very low	123 Å²	123	142.6 Å²	142.6	75%	0.745	76%	0.762	S	S	*	*			trans	-151.7	101.7	167	172.3	0	0	0	0	103.5
391	Q	36.1	Very low	38.1	Very low	162 Å²	162	143.3 Å²	143.3	76%	0.757	77%	0.765	S	S	*	*				42.1	101.5	88.5	-77.2	-172	-49.3	0	0	114.5
392	T	43.4	Very low	38.9	Very low	129 Å²	129	142.1 Å²	142.1	79%	0.791	77%	0.766	S	S	*	*				-168.6	122.2	116.8	37.2	0	0	0	0	111.2
393	E	39.4	Very low	38.8	Very low	144 Å²	144	142 Å²	142	67%	0.673	77%	0.77	S	S	*	*			trans	19.3	147.1	132.8	-21	-46.3	111.1	0	0	121.5
394	D	33.4	Very low	39.4	Very low	150 Å²	150	141.4 Å²	141.4	80%	0.802	77%	0.768	S	S	*	*			trans	80.2	133.5	143.6	-83.5	-9.8	0	0	0	124.4
395	R	36	Very low	39.5	Very low	213 Å²	213	140.3 Å²	140.3	80%	0.804	77%	0.771	S	S	*	*			trans	73.8	109.6	146.8	-75.5	-177.1	128.6	154.6	-1.9	122.5
396	T	36.8	Very low	39.9	Very low	122 Å²	122	135.7 Å²	135.7	75%	0.748	77%	0.767	S	S	*	*				84.4	160.4	124.9	59.9	0	0	0	0	121.8
397	S	39.2	Very low	39.8	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	77%	0.773	S	S	*	*			trans	86.7	91.5	172	66.6	0	0	0	0	118.8
398	S	41.6	Very low	40.1	Very low	107 Å²	107	138.4 Å²	138.4	75%	0.748	78%	0.781	S	S	*	*			trans	47	109.4	136.3	-54.9	0	0	0	0	121.2
399	Q	40.8	Very low	39.9	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	77%	0.774	S	S	*	*			trans	-92.2	116.3	154.3	175.8	-177.2	10.8	0	0	108.1
400	D	32.9	Very low	40	Very low	141 Å²	141	137.2 Å²	137.2	75%	0.754	77%	0.77	S	S	*	*			trans	-123.9	124.7	177.6	-84.8	-59.3	0	0	0	111.7
401	F	47.7	Very low	39.8	Very low	186 Å²	186	137.8 Å²	137.8	82%	0.816	77%	0.774	S	S	*	*			trans	-110.7	163	169.8	-104.7	-108.5	0	0	0	108.8	S403	F401-S403 PolarHBondContact O-N 2.81Å
402	P	53.4	Low	39.8	Very low	121 Å²	121	136 Å²	136	79%	0.786	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-69.5	133.6	-162.7	28.1	-35	0	0	0	113.1
403	S	33.5	Very low	39.5	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-100.4	134.5	179.7	-168.4	0	0	0	0	112.2	F401	F401-S403 PolarHBondContact O-N 2.81Å
404	P	48.6	Very low	39	Very low	100 Å²	100	139.9 Å²	139.9	65%	0.649	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-78.7	159.8	169.1	34.5	-34.9	0	0	0	111.5	P406	P404-P406 WeakPolarHBondContact O-CD 3.47Å
405	P	44.4	Very low	39	Very low	130 Å²	130	136.4 Å²	136.4	84%	0.844	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-76.7	122.7	177.4	30.2	-33.2	0	0	0	112.1
406	P	50.6	Low	38.6	Very low	120 Å²	120	129.6 Å²	129.6	78%	0.779	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-89.1	167.5	174.9	36.4	-34.7	0	0	0	112.8	P404	P404-P406 WeakPolarHBondContact O-CD 3.47Å
407	A	34.2	Very low	38.4	Very low	94 Å²	94	133.4 Å²	133.4	78%	0.777	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-78.2	169.3	173.8	0	0	0	0	0	113
408	I	40.2	Very low	37.8	Very low	171 Å²	171	133.1 Å²	133.1	88%	0.877	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-97.5	140.2	174.2	-40.4	175.1	0	0	0	108.8
409	N	35.4	Very low	37.3	Very low	126 Å²	126	133 Å²	133	67%	0.674	78%	0.78	S	S	*	*			trans	-123.9	161.5	-176	-121	61.1	0	0	0	112.1
410	D	35.2	Very low	36.8	Very low	138 Å²	138	127.7 Å²	127.7	74%	0.738	77%	0.774	S	S	*	*			trans	68.8	137.2	164.3	-47.6	-29.3	0	0	0	116.4
411	T	33.3	Very low	36.9	Very low	135 Å²	135	130 Å²	130	83%	0.828	78%	0.78	S	S	*	*				-137	122.1	51	54.2	0	0	0	0	117.5
412	N	35.8	Very low	36.1	Very low	125 Å²	125	131.5 Å²	131.5	67%	0.668	78%	0.782	S	S	*	*				62.6	137.6	128.1	-148.9	34.5	0	0	0	124.9
413	E	37.1	Very low	35.2	Very low	144 Å²	144	134 Å²	134	67%	0.673	79%	0.788	S	S	*	*			trans	60.2	137.3	156.2	-87.6	166.5	-126.5	0	0	120.1
414	Y	29.1	Very low	35.1	Very low	209 Å²	209	133.6 Å²	133.6	82%	0.82	79%	0.785	S	S	*	*			cis	-158	130.9	29.4	-152.4	-90.2	0	0	0	113.4
415	G	32.7	Very low	34.3	Very low	78 Å²	78	137.3 Å²	137.3	80%	0.804	80%	0.798	S	S	*	*			trans	73	108.5	145	0	0	0	0	0	124.2
416	G	28.8	Very low	33.5	Very low	70 Å²	70	138.6 Å²	138.6	72%	0.722	79%	0.79	S	S	*	*				126	113.1	124.1	0	0	0	0	0	121.4
417	Q	32.5	Very low	32.6	Very low	202 Å²	202	142.3 Å²	142.3	94%	0.944	79%	0.79	S	S	*	*			trans	66.7	153.5	153.4	-59.7	177.9	8.6	0	0	118.5
418	S	25.9	Very low	32.4	Very low	106 Å²	106	144.3 Å²	144.3	74%	0.741	79%	0.788	S	S	*	*			cis	-169.3	122.4	-24.1	171.8	0	0	0	0	110.4
419	A	30.7	Very low	31.9	Very low	103 Å²	103	142.2 Å²	142.2	85%	0.851	78%	0.783	S	S	*	*			trans	57.9	152.6	173.1	0	0	0	0	0	117.7
420	G	31.6	Very low	31.7	Very low	69 Å²	69	145.9 Å²	145.9	71%	0.711	80%	0.796	S	S	*	*			cis	120.6	89.6	-14.5	0	0	0	0	0	115.2
421	E	33.4	Very low	31.4	Very low	189 Å²	189	142.9 Å²	142.9	88%	0.883	80%	0.798	S	S	*	*			trans	-152.9	115.3	166.5	-129.5	156	-125.8	0	0	114.2
422	Y	31.3	Very low	31.1	Very low	218 Å²	218	146.7 Å²	146.7	86%	0.855	80%	0.803	S	S	*	*			trans	33.5	117.2	157.1	-71.8	-88.5	0	0	0	123.9
423	L	34.4	Very low	30.8	Very low	174 Å²	174	148.3 Å²	148.3	91%	0.911	81%	0.812	S	S	*	*			trans	-73.5	139.8	135.9	-75.6	167.4	0	0	0	110
424	S	31.7	Very low	30.6	Very low	104 Å²	104	152.2 Å²	152.2	73%	0.727	82%	0.82	S	S	*	*			trans	-150.2	109	163.8	-172.1	0	0	0	0	110.7
425	L	32.4	Very low	30.6	Very low	179 Å²	179	148.6 Å²	148.6	94%	0.937	82%	0.82	S	S	*	*			trans	-137.1	105.5	166	-152.2	79.6	0	0	0	108
426	K	28	Very low	30.5	Very low	156 Å²	156	152.1 Å²	152.1	68%	0.678	82%	0.82	S	S	*	*			trans	-107	136.1	-176.9	-170.1	-161.4	164.7	-116.5	0	109.3	D428	K426-D428 IonicContact NZ-OD1 2.78Å; K426-D428 PolarHBondContact NZ-OD1 2.88Å; K426-D428 IonicContact NZ-OD2 2.81Å; K426-D428 PolarHBondContact NZ-OD2 2.78Å
427	Y	31.9	Very low	30.7	Very low	198 Å²	198	157.6 Å²	157.6	78%	0.776	82%	0.824	S	S	*	*			trans	-69.2	148.3	167.9	-67.3	-102	0	0	0	110.8
428	D	28.6	Very low	31.3	Very low	137 Å²	137	153.5 Å²	153.5	73%	0.733	82%	0.815	S	S	*	*			trans	-131.2	137.2	148.6	-78.5	-50.4	0	0	0	108.8	K426	K426-D428 IonicContact NZ-OD1 2.78Å; K426-D428 PolarHBondContact NZ-OD1 2.88Å; K426-D428 IonicContact NZ-OD2 2.81Å; K426-D428 PolarHBondContact NZ-OD2 2.78Å
429	V	31	Very low	31.5	Very low	126 Å²	126	153.2 Å²	153.2	76%	0.764	82%	0.819	S	S	*	*			trans	-138.5	104.3	-175	174.5	0	0	0	0	108.8
430	Q	31	Very low	31.4	Very low	204 Å²	204	157 Å²	157	95%	0.953	82%	0.819	S	S	*	*			trans	-167	137.2	167.5	-109.5	163.1	4.8	0	0	107.9
431	G	27.7	Very low	31.4	Very low	75 Å²	75	158.7 Å²	158.7	77%	0.773	82%	0.82	S	S	*	*			cis	-168.5	149.3	-10.5	0	0	0	0	0	108.7
432	F	28.8	Very low	31.6	Very low	214 Å²	214	158.2 Å²	158.2	94%	0.939	82%	0.818	S	S	*	*			trans	-94.5	133.3	175.9	-107.2	-80	0	0	0	110.3
433	D	27.6	Very low	31.6	Very low	159 Å²	159	157.6 Å²	157.6	85%	0.85	82%	0.819	S	S	*	*			trans	-143.3	169	151.3	-132.6	-37.5	0	0	0	111.3
434	R	32.9	Very low	31.8	Very low	226 Å²	226	156.2 Å²	156.2	85%	0.853	82%	0.818	S	S	*	*			trans	-108.4	-174.5	-160.7	-89.7	-178.7	162.2	-158.8	-1.4	114.8
435	V	30	Very low	32.2	Very low	133 Å²	133	156.9 Å²	156.9	81%	0.806	82%	0.823	S	S	*	*			trans	88.6	124.6	167.4	-172.7	0	0	0	0	112.6
436	D	31.2	Very low	32.5	Very low	153 Å²	153	156.8 Å²	156.8	82%	0.818	82%	0.817	S	S	*	*			cis	-145.6	-177.6	6.9	-136.8	-28.1	0	0	0	115
437	K	32.3	Very low	32.8	Very low	184 Å²	184	158 Å²	158	80%	0.8	82%	0.823	S	S	*	*			trans	-100.4	178.3	171.3	-103.1	-175.6	178.6	-176	0	111.4
438	P	45.4	Very low	33	Very low	117 Å²	117	152.5 Å²	152.5	76%	0.76	81%	0.813	S	S	*	*			cis	-132.1	171.4	-26.6	38.4	-23.4	0	0	0	113.9
439	A	28.8	Very low	33.6	Very low	99 Å²	99	151.1 Å²	151.1	82%	0.818	81%	0.806	S	S	*	*			trans	-161.1	129.2	151	0	0	0	0	0	114.4
440	E	29.2	Very low	34	Very low	183 Å²	183	151.9 Å²	151.9	86%	0.855	80%	0.801	S	S	*	*			trans	17.2	114.8	148.7	-68.7	-178.9	166.7	0	0	123.7
441	S	31.9	Very low	34.5	Very low	104 Å²	104	150 Å²	150	73%	0.727	79%	0.792	S	S	*	*				45.8	138.3	127.4	44.8	0	0	0	0	124.9
442	E	37.2	Very low	35.5	Very low	179 Å²	179	154.6 Å²	154.6	84%	0.836	79%	0.791	S	S	*	*			trans	63.9	96.6	152.2	-66.7	-168.7	169.5	0	0	120.5
443	K	32.1	Very low	36.3	Very low	205 Å²	205	148.9 Å²	148.9	89%	0.891	77%	0.773	S	S	*	*				-165.4	104.9	113.3	-101.8	147.9	-170.1	167.3	0	112.5
444	V	39.2	Very low	37.3	Very low	145 Å²	145	149.6 Å²	149.6	88%	0.879	76%	0.764	S	S	*	*			trans	-103.1	87.6	174.1	-179.8	0	0	0	0	109.3
445	S	39.4	Very low	37.9	Very low	118 Å²	118	140.7 Å²	140.7	83%	0.825	74%	0.742	S	S	*	*			trans	-175.5	59.5	161.5	-81.9	0	0	0	0	111.4
446	Q	37.5	Very low	38.8	Very low	177 Å²	177	141.9 Å²	141.9	83%	0.827	73%	0.732	S	S	*	*	S	Bend	trans	-157.7	44.4	177.4	-134.8	168	8.3	0	0	114.1
447	K	36	Very low	39.7	Very low	182 Å²	182	140.2 Å²	140.2	79%	0.791	72%	0.719	S	S	*	*	S	Bend	trans	-140.3	3.7	176.4	-71.5	-160.6	173.4	-169	0	116.2
448	S	34.5	Very low	40.8	Very low	82 Å²	82	136.4 Å²	136.4	57%	0.573	70%	0.704	S	S	*	*	S	Bend	trans	-84.9	-28.9	177.1	48.8	0	0	0	0	113.8
449	D	41.3	Very low	41.3	Very low	108 Å²	108	136.3 Å²	136.3	58%	0.578	69%	0.694	S	S	*	*	S	Bend	trans	-99.7	-28.1	-158.1	-57.1	-18.5	0	0	0	113.3	H451 K452 T453	D449-H451 PolarHBondContact O-N 3.06Å; D449-K452 PolarHBondContact O-N 3.38Å; D449-T453 PolarHBondContact O-N 2.89Å
450	E	40.7	Very low	43	Very low	142 Å²	142	135.8 Å²	135.8	66%	0.664	67%	0.674	S	S	*	*	H	α-helix	trans	-62.7	-28.1	177.5	-63.4	-173.6	126.2	0	0	113.2	K452 T453	E450-K452 VanDerWaalsContact C-N 3.34Å; E450-T453 PolarHBondContact O-OG1 2.91Å
451	H	41.7	Very low	44.8	Very low	165 Å²	165	131.6 Å²	131.6	76%	0.764	66%	0.657	S	S	*	*	H	α-helix	trans	-78.7	-15.8	175	-75.9	-73.7	0	0	0	113.6	D449	D449-H451 PolarHBondContact O-N 3.06Å
452	K	46.8	Very low	46.6	Very low	172 Å²	172	131 Å²	131	75%	0.748	65%	0.649	S	S	*	*	H	α-helix	trans	-90.2	-34	174.5	-98.2	-178	174.7	177.2	0	113	D449 E450	D449-K452 PolarHBondContact O-N 3.38Å; E450-K452 VanDerWaalsContact C-N 3.34Å
453	T	47.1	Very low	48	Very low	93 Å²	93	130 Å²	130	57%	0.571	64%	0.638	S	S	*	*	H	α-helix	trans	-69.2	-41.1	178.9	51	0	0	0	0	112	D449 E450 R456 H457	D449-T453 PolarHBondContact O-N 2.89Å; E450-T453 PolarHBondContact O-OG1 2.91Å; T453-R456 PolarHBondContact O-N 3.17Å; T453-H457 PolarHBondContact O-N 2.95Å; T453-H457 VanDerWaalsContact O-N 3.15Å
454	R	47.5	Very low	49.7	Very low	175 Å²	175	125.2 Å²	125.2	66%	0.66	62%	0.619	S	S	*	*	H	α-helix	trans	-61.1	-50.5	-177.6	-174.6	172.7	176.6	162.4	2.3	113.6	R456 H457 E458	R454-R456 VanDerWaalsContact C-N 3.27Å; R454-R456 PolarHBondContact O-N 3.14Å; R454-H457 PolarHBondContact O-N 3.37Å; R454-H457 VanDerWaalsContact O-N 3.15Å; R454-E458 WeakPolarHBondContact CG-OE1 3.49Å; R454-E458 IonicContact CZ-OE1 2.75Å; R454-E458 IonicContact NE-OE1 2.61Å; R454-E458 PolarHBondContact NE-OE1 2.91Å; R454-E458 VanDerWaalsContact NE-OE1 3.07Å; R454-E458 IonicContact NH2-OE1 2.67Å; R454-E458 PolarHBondContact O-N 3.32Å; R454-E458 VanDerWaalsContact O-N 3.17Å
455	G	46.7	Very low	51	Low	38 Å²	38	124.1 Å²	124.1	39%	0.392	60%	0.604	S	S	.	*	H	α-helix	trans	-63.5	-32.2	179.6	0	0	0	0	0	113.4	E459	G455-E459 PolarHBondContact O-N 3.37Å
456	R	48.9	Very low	52.5	Low	159 Å²	159	123.7 Å²	123.7	60%	0.6	59%	0.589	S	S	*	*	H	α-helix	trans	-65.3	-42.3	174	-165.7	-175.6	-167.5	-78.1	1.7	111.5	T453 R454 E458 E459 E460	T453-R456 PolarHBondContact O-N 3.17Å; R454-R456 VanDerWaalsContact C-N 3.27Å; R454-R456 PolarHBondContact O-N 3.14Å; R456-E458 VanDerWaalsContact C-N 3.33Å; R456-E458 PolarHBondContact O-N 2.73Å; R456-E459 PolarHBondContact O-N 3.15Å; R456-E460 IonicContact CZ-OE1 3.58Å; R456-E460 IonicContact CZ-OE2 2.67Å; R456-E460 IonicContact NH1-OE1 3.73Å; R456-E460 PolarHBondContact NH1-OE1 3.15Å; R456-E460 IonicContact NH1-OE2 3.92Å; R456-E460 PolarHBondContact NH1-OE2 3.48Å; R456-E460 WeakPolarHBondContact O-CB 3.34Å; R456-E460 PolarHBondContact O-N 3.35Å
457	H	49.6	Very low	53.7	Low	117 Å²	117	118.6 Å²	118.6	54%	0.542	57%	0.57	S	S	.	*	H	α-helix	trans	-69.2	-31.3	-178.3	-154	-36.4	0	0	0	112.7	T453 R454 L461	T453-H457 PolarHBondContact O-N 2.95Å; T453-H457 VanDerWaalsContact O-N 3.15Å; R454-H457 PolarHBondContact O-N 3.37Å; R454-H457 VanDerWaalsContact O-N 3.15Å; H457-L461 WeakPolarHBondContact O-CD1 3.32Å; H457-L461 WeakPolarHBondContact O-CG 3.27Å; H457-L461 PolarHBondContact O-N 3.48Å; H457-L461 VanDerWaalsContact O-N 3.14Å
458	E	54.4	Low	55.3	Low	105 Å²	105	116 Å²	116	49%	0.491	56%	0.56	S	S	.	*	H	α-helix	trans	-71.3	-40.9	174.2	-70	171	-165.9	0	0	111.2	R454 R456 V462	R454-E458 WeakPolarHBondContact CG-OE1 3.49Å; R454-E458 IonicContact CZ-OE1 2.75Å; R454-E458 IonicContact NE-OE1 2.61Å; R454-E458 PolarHBondContact NE-OE1 2.91Å; R454-E458 VanDerWaalsContact NE-OE1 3.07Å; R454-E458 IonicContact NH2-OE1 2.67Å; R454-E458 PolarHBondContact O-N 3.32Å; R454-E458 VanDerWaalsContact O-N 3.17Å; R456-E458 VanDerWaalsContact C-N 3.33Å; R456-E458 PolarHBondContact O-N 2.73Å; E458-V462 WeakPolarHBondContact O-CG2 3.47Å; E458-V462 PolarHBondContact O-N 3.27Å
459	E	56.4	Low	56.9	Low	114 Å²	114	117.9 Å²	117.9	53%	0.533	56%	0.56	S	S	.	*	H	α-helix	trans	-65.1	-38	170.4	-84.3	-166.3	-160.9	0	0	113.4	G455 R456 V462 R463	G455-E459 PolarHBondContact O-N 3.37Å; R456-E459 PolarHBondContact O-N 3.15Å; E459-V462 PolarHBondContact O-N 2.9Å; E459-R463 VanDerWaalsContact O-CG 3.24Å; E459-R463 WeakPolarHBondContact O-CG 3.27Å; E459-R463 PolarHBondContact O-N 3.47Å; E459-R463 IonicContact OE2-CZ 2.75Å; E459-R463 IonicContact OE2-NE 3.13Å; E459-R463 IonicContact OE2-NH2 3.36Å; E459-R463 PolarHBondContact OE2-NH2 3.3Å
460	E	65.6	Low	58.1	Low	89 Å²	89	119.9 Å²	119.9	42%	0.416	56%	0.56	S	S	.	*	H	α-helix	trans	-66.7	-42.7	-177.4	-157.4	147.3	-145.9	0	0	110.6	R456 R463 E464	R456-E460 IonicContact CZ-OE1 3.58Å; R456-E460 IonicContact CZ-OE2 2.67Å; R456-E460 IonicContact NH1-OE1 3.73Å; R456-E460 PolarHBondContact NH1-OE1 3.15Å; R456-E460 IonicContact NH1-OE2 3.92Å; R456-E460 PolarHBondContact NH1-OE2 3.48Å; R456-E460 WeakPolarHBondContact O-CB 3.34Å; R456-E460 PolarHBondContact O-N 3.35Å; E460-R463 PolarHBondContact O-N 3.35Å; E460-E464 PolarHBondContact O-N 3.39Å
461	L	65.5	Low	59.5	Low	94 Å²	94	118.8 Å²	118.8	49%	0.492	56%	0.555	S	S	.	*	H	α-helix	trans	-62	-41	172.7	-76.2	166.1	0	0	0	113.3	H457 E464 Q465	H457-L461 WeakPolarHBondContact O-CD1 3.32Å; H457-L461 WeakPolarHBondContact O-CG 3.27Å; H457-L461 PolarHBondContact O-N 3.48Å; H457-L461 VanDerWaalsContact O-N 3.14Å; L461-E464 PolarHBondContact O-N 2.7Å; L461-Q465 WeakPolarHBondContact O-CB 3.46Å; L461-Q465 PolarHBondContact O-N 3.43Å
462	V	70.8	Confident	61	Low	93 Å²	93	112.5 Å²	112.5	56%	0.564	53%	0.534	S	S	*	.	H	α-helix	trans	-65.8	-40.2	177.3	170.6	0	0	0	0	111.1	E458 E459 Q465 E466	E458-V462 WeakPolarHBondContact O-CG2 3.47Å; E458-V462 PolarHBondContact O-N 3.27Å; E459-V462 PolarHBondContact O-N 2.9Å; V462-Q465 PolarHBondContact O-N 3.07Å; V462-E466 PolarHBondContact O-N 3.34Å
463	R	66.5	Low	62.2	Low	156 Å²	156	109.6 Å²	109.6	59%	0.589	53%	0.526	S	S	*	.	H	α-helix	trans	-66.3	-43	177	-67.9	166.9	-166.5	-136.9	9.6	111.9	E459 E460 Q465 E466 T467	E459-R463 VanDerWaalsContact O-CG 3.24Å; E459-R463 WeakPolarHBondContact O-CG 3.27Å; E459-R463 PolarHBondContact O-N 3.47Å; E459-R463 IonicContact OE2-CZ 2.75Å; E459-R463 IonicContact OE2-NE 3.13Å; E459-R463 IonicContact OE2-NH2 3.36Å; E459-R463 PolarHBondContact OE2-NH2 3.3Å; E460-R463 PolarHBondContact O-N 3.35Å; R463-Q465 VanDerWaalsContact C-N 3.3Å; R463-Q465 PolarHBondContact O-N 3.21Å; R463-E466 PolarHBondContact O-N 3.33Å; R463-T467 PolarHBondContact O-N 3.01Å; R463-T467 PolarHBondContact O-OG1 3.38Å
464	E	68.4	Low	63.4	Low	106 Å²	106	110.2 Å²	110.2	50%	0.495	53%	0.526	S	S	.	.	H	α-helix	trans	-62.1	-37.7	173.6	-73.6	-168.7	141.1	0	0	112.2	E460 L461 T467 Q468	E460-E464 PolarHBondContact O-N 3.39Å; L461-E464 PolarHBondContact O-N 2.7Å; E464-T467 WeakPolarHBondContact CA-OG1 3.49Å; E464-T467 PolarHBondContact O-N 3.47Å; E464-T467 PolarHBondContact O-OG1 3.31Å; E464-T467 VanDerWaalsContact O-OG1 3.05Å; E464-Q468 WeakPolarHBondContact O-CB 3.48Å; E464-Q468 WeakPolarHBondContact O-CG 3.38Å; E464-Q468 PolarHBondContact O-N 3.07Å
465	Q	65.5	Low	64.7	Low	122 Å²	122	108 Å²	108	57%	0.57	52%	0.523	S	S	*	.	H	α-helix	trans	-71	-30.9	177.2	-165.1	172.4	49.9	0	0	112.6	L461 V462 R463 Q469	L461-Q465 WeakPolarHBondContact O-CB 3.46Å; L461-Q465 PolarHBondContact O-N 3.43Å; V462-Q465 PolarHBondContact O-N 3.07Å; R463-Q465 VanDerWaalsContact C-N 3.3Å; R463-Q465 PolarHBondContact O-N 3.21Å; Q465-Q469 WeakPolarHBondContact O-CG 3.16Å; Q465-Q469 PolarHBondContact O-N 2.89Å; Q465-Q469 PolarHBondContact O-NE2 3.41Å
466	E	70.1	Confident	66.3	Low	108 Å²	108	112 Å²	112	51%	0.505	53%	0.532	S	S	.	.	H	α-helix	trans	-72.5	-42	171.9	-163.3	-166.4	148.7	0	0	111.9	V462 R463 Q469 R470	V462-E466 PolarHBondContact O-N 3.34Å; R463-E466 PolarHBondContact O-N 3.33Å; E466-Q469 PolarHBondContact O-N 3.48Å; E466-R470 PolarHBondContact O-N 2.96Å; E466-R470 IonicContact OE1-NE 3.84Å
467	T	63.8	Low	67.6	Low	71 Å²	71	109.9 Å²	109.9	44%	0.436	53%	0.532	S	S	.	.	H	α-helix	trans	-66	-41.8	177.2	55	0	0	0	0	111.8	R463 E464 Q469 R470 E471	R463-T467 PolarHBondContact O-N 3.01Å; R463-T467 PolarHBondContact O-OG1 3.38Å; E464-T467 WeakPolarHBondContact CA-OG1 3.49Å; E464-T467 PolarHBondContact O-N 3.47Å; E464-T467 PolarHBondContact O-OG1 3.31Å; E464-T467 VanDerWaalsContact O-OG1 3.05Å; T467-Q469 VanDerWaalsContact C-N 3.31Å; T467-Q469 PolarHBondContact O-N 2.95Å; T467-R470 PolarHBondContact O-N 3.3Å; T467-E471 WeakPolarHBondContact O-CG 3.28Å; T467-E471 PolarHBondContact O-N 3.4Å
468	Q	69.9	Low	68.9	Low	126 Å²	126	109.2 Å²	109.2	59%	0.589	53%	0.532	S	S	*	.	H	α-helix	trans	-61.9	-37.3	175	-72.1	172	30.6	0	0	112.3	E464 G472	E464-Q468 WeakPolarHBondContact O-CB 3.48Å; E464-Q468 WeakPolarHBondContact O-CG 3.38Å; E464-Q468 PolarHBondContact O-N 3.07Å; Q468-G472 PolarHBondContact O-N 3.36Å
469	Q	66.7	Low	70.3	Confident	122 Å²	122	107.4 Å²	107.4	57%	0.57	53%	0.528	S	S	*	.	H	α-helix	trans	-68.6	-40.4	173.3	-78.7	179.6	70.1	0	0	112.6	Q465 E466 T467 G472 L473	Q465-Q469 WeakPolarHBondContact O-CG 3.16Å; Q465-Q469 PolarHBondContact O-N 2.89Å; Q465-Q469 PolarHBondContact O-NE2 3.41Å; E466-Q469 PolarHBondContact O-N 3.48Å; T467-Q469 VanDerWaalsContact C-N 3.31Å; T467-Q469 PolarHBondContact O-N 2.95Å; Q469-G472 PolarHBondContact O-N 3.45Å; Q469-L473 WeakPolarHBondContact O-CG 3.25Å; Q469-L473 PolarHBondContact O-N 3.19Å
470	R	68.4	Low	71.3	Confident	151 Å²	151	108 Å²	108	57%	0.57	53%	0.529	S	S	*	.	H	α-helix	trans	-61.1	-48.6	173.3	-81.6	174.5	163.5	-89.7	1.6	112.1	E466 T467 G472 L473 D474	E466-R470 PolarHBondContact O-N 2.96Å; E466-R470 IonicContact OE1-NE 3.84Å; T467-R470 PolarHBondContact O-N 3.3Å; R470-G472 VanDerWaalsContact C-N 3.3Å; R470-G472 PolarHBondContact O-N 2.83Å; R470-L473 PolarHBondContact O-N 2.88Å; R470-D474 WeakPolarHBondContact O-CB 3.41Å; R470-D474 PolarHBondContact O-N 3.18Å
471	E	68.8	Low	72	Confident	119 Å²	119	110.4 Å²	110.4	56%	0.556	54%	0.538	S	S	*	.	H	α-helix	trans	-64.4	-34.2	179	-72.5	-179.4	-173.1	0	0	112.3	T467 Q475	T467-E471 WeakPolarHBondContact O-CG 3.28Å; T467-E471 PolarHBondContact O-N 3.4Å; E471-Q475 WeakPolarHBondContact O-CB 3.47Å; E471-Q475 WeakPolarHBondContact O-CG 3.48Å; E471-Q475 PolarHBondContact O-N 2.72Å; E471-Q475 PolarHBondContact O-NE2 2.9Å
472	G	72.7	Confident	72.7	Confident	32 Å²	32	110.3 Å²	110.3	33%	0.33	54%	0.535	S	S	.	.	H	α-helix	trans	-63.5	-49	170.6	0	0	0	0	0	112.6	Q468 Q469 R470 Q475 E476	Q468-G472 PolarHBondContact O-N 3.36Å; Q469-G472 PolarHBondContact O-N 3.45Å; R470-G472 VanDerWaalsContact C-N 3.3Å; R470-G472 PolarHBondContact O-N 2.83Å; G472-Q475 PolarHBondContact O-N 3Å; G472-E476 PolarHBondContact O-N 2.76Å
473	L	73.7	Confident	73.3	Confident	112 Å²	112	111.7 Å²	111.7	59%	0.586	53%	0.534	S	S	*	.	H	α-helix	trans	-64.2	-40.3	178.2	-71.8	171	0	0	0	112.6	Q469 R470 Q475 E476 L477	Q469-L473 WeakPolarHBondContact O-CG 3.25Å; Q469-L473 PolarHBondContact O-N 3.19Å; R470-L473 PolarHBondContact O-N 2.88Å; L473-Q475 VanDerWaalsContact C-N 3.35Å; L473-E476 PolarHBondContact O-N 3.3Å; L473-L477 WeakPolarHBondContact O-CB 3.44Å; L473-L477 PolarHBondContact O-N 2.76Å
474	D	71.7	Confident	74	Confident	105 Å²	105	110 Å²	110	56%	0.561	54%	0.536	S	S	*	.	H	α-helix	trans	-67	-35.8	176.3	-80.6	-30.6	0	0	0	111.7	R470 N478	R470-D474 WeakPolarHBondContact O-CB 3.41Å; R470-D474 PolarHBondContact O-N 3.18Å; D474-N478 WeakPolarHBondContact O-CB 3.39Å; D474-N478 PolarHBondContact O-N 3.42Å
475	Q	74.3	Confident	74.3	Confident	130 Å²	130	107.6 Å²	107.6	61%	0.607	53%	0.531	S	S	*	.	H	α-helix	trans	-65.4	-48.1	171.4	-77.3	172.5	70	0	0	112	E471 G472 L473 L477 N478 V479	E471-Q475 WeakPolarHBondContact O-CB 3.47Å; E471-Q475 WeakPolarHBondContact O-CG 3.48Å; E471-Q475 PolarHBondContact O-N 2.72Å; E471-Q475 PolarHBondContact O-NE2 2.9Å; G472-Q475 PolarHBondContact O-N 3Å; L473-Q475 VanDerWaalsContact C-N 3.35Å; Q475-L477 VanDerWaalsContact C-N 3.33Å; Q475-L477 PolarHBondContact O-N 2.88Å; Q475-N478 PolarHBondContact O-N 3.3Å; Q475-V479 WeakPolarHBondContact O-CG2 3.47Å; Q475-V479 PolarHBondContact O-N 2.82Å
476	E	80.4	Confident	74.9	Confident	122 Å²	122	109 Å²	109	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-59.9	-42.5	175.9	-74.9	-164.1	168.7	0	0	112	G472 L473 N478 V479 F480	G472-E476 PolarHBondContact O-N 2.76Å; L473-E476 PolarHBondContact O-N 3.3Å; E476-N478 VanDerWaalsContact C-N 3.34Å; E476-N478 PolarHBondContact O-N 3.15Å; E476-V479 PolarHBondContact O-N 3.49Å; E476-F480 WeakPolarHBondContact O-CB 3.49Å; E476-F480 WeakPolarHBondContact O-CD2 3.5Å; E476-F480 PolarHBondContact O-N 3.2Å
477	L	76.2	Confident	75.2	Confident	113 Å²	113	108.8 Å²	108.8	59%	0.592	53%	0.533	S	S	*	.	H	α-helix	trans	-66.5	-35.8	179.5	-167.5	143.9	0	0	0	111.7	L473 Q475 K481	L473-L477 WeakPolarHBondContact O-CB 3.44Å; L473-L477 PolarHBondContact O-N 2.76Å; Q475-L477 VanDerWaalsContact C-N 3.33Å; Q475-L477 PolarHBondContact O-N 2.88Å; L477-K481 WeakPolarHBondContact O-CB 3.44Å; L477-K481 PolarHBondContact O-N 2.87Å
478	N	77.2	Confident	75.9	Confident	103 Å²	103	112.9 Å²	112.9	55%	0.551	54%	0.544	S	S	*	.	H	α-helix	trans	-67.4	-42.5	171.3	-122	-5.1	0	0	0	111.9	D474 Q475 E476 F480 K481 E482	D474-N478 WeakPolarHBondContact O-CB 3.39Å; D474-N478 PolarHBondContact O-N 3.42Å; Q475-N478 PolarHBondContact O-N 3.3Å; E476-N478 VanDerWaalsContact C-N 3.34Å; E476-N478 PolarHBondContact O-N 3.15Å; N478-F480 PolarHBondContact O-N 3.08Å; N478-K481 WeakPolarHBondContact O-CB 3.41Å; N478-K481 PolarHBondContact O-N 3.44Å; N478-E482 PolarHBondContact O-N 3.21Å
479	V	84.1	Confident	76	Confident	67 Å²	67	111.1 Å²	111.1	41%	0.406	54%	0.539	S	S	.	.	H	α-helix	trans	-63.9	-39.5	175.9	168.6	0	0	0	0	111.5	Q475 E476 E482 K483	Q475-V479 WeakPolarHBondContact O-CG2 3.47Å; Q475-V479 PolarHBondContact O-N 2.82Å; E476-V479 PolarHBondContact O-N 3.49Å; V479-E482 PolarHBondContact O-N 3.09Å; V479-K483 HydrophobicContact CG1-CD 4.07Å; V479-K483 VanDerWaalsContact CG1-CE 3.5Å; V479-K483 WeakPolarHBondContact O-CB 3.42Å; V479-K483 VanDerWaalsContact O-CG 3.26Å; V479-K483 WeakPolarHBondContact O-CG 3.27Å; V479-K483 PolarHBondContact O-N 2.97Å
480	F	76.3	Confident	76.4	Confident	128 Å²	128	108.6 Å²	108.6	56%	0.561	53%	0.529	S	S	*	.	H	α-helix	trans	-64.9	-43.4	172.6	-98.3	-77.2	0	0	0	112.1	E476 N478 E482 K483 L484	E476-F480 WeakPolarHBondContact O-CB 3.49Å; E476-F480 WeakPolarHBondContact O-CD2 3.5Å; E476-F480 PolarHBondContact O-N 3.2Å; N478-F480 PolarHBondContact O-N 3.08Å; F480-E482 VanDerWaalsContact C-N 3.33Å; F480-E482 PolarHBondContact O-N 3.46Å; F480-K483 PolarHBondContact O-N 2.7Å; F480-L484 WeakPolarHBondContact O-CB 3.32Å; F480-L484 PolarHBondContact O-N 2.81Å
481	K	81.1	Confident	76.7	Confident	139 Å²	139	105.7 Å²	105.7	60%	0.604	52%	0.524	S	S	*	.	H	α-helix	trans	-62.4	-38	176.4	-176.8	-179.6	179.2	-175.7	0	112.3	L477 N478 S485	L477-K481 WeakPolarHBondContact O-CB 3.44Å; L477-K481 PolarHBondContact O-N 2.87Å; N478-K481 WeakPolarHBondContact O-CB 3.41Å; N478-K481 PolarHBondContact O-N 3.44Å; K481-S485 PolarHBondContact O-N 3.31Å
482	E	80.6	Confident	76.8	Confident	91 Å²	91	105.6 Å²	105.6	43%	0.425	52%	0.522	S	S	.	.	H	α-helix	trans	-69.3	-44.9	173.5	-157.5	-156.6	140	0	0	111.9	N478 V479 F480 L484 S485 R486	N478-E482 PolarHBondContact O-N 3.21Å; V479-E482 PolarHBondContact O-N 3.09Å; F480-E482 VanDerWaalsContact C-N 3.33Å; F480-E482 PolarHBondContact O-N 3.46Å; E482-L484 VanDerWaalsContact C-N 3.28Å; E482-L484 PolarHBondContact O-N 3.36Å; E482-S485 PolarHBondContact O-N 2.89Å; E482-S485 VanDerWaalsContact O-N 3.1Å; E482-S485 PolarHBondContact O-OG 3.23Å; E482-R486 WeakPolarHBondContact O-CG 3.5Å; E482-R486 PolarHBondContact O-N 3.37Å; E482-R486 IonicContact OE1-CZ 3.97Å; E482-R486 IonicContact OE1-NE 3.77Å; E482-R486 PolarHBondContact OE1-NE 2.89Å; E482-R486 IonicContact OE1-NH2 3.58Å; E482-R486 PolarHBondContact OE1-NH2 2.93Å
483	K	84	Confident	76.7	Confident	122 Å²	122	110.1 Å²	110.1	53%	0.53	53%	0.532	S	S	.	.	H	α-helix	trans	-58	-40.8	173.7	-73.7	167.1	-178.6	172	0	111.8	V479 F480 R486 L487	V479-K483 HydrophobicContact CG1-CD 4.07Å; V479-K483 VanDerWaalsContact CG1-CE 3.5Å; V479-K483 WeakPolarHBondContact O-CB 3.42Å; V479-K483 VanDerWaalsContact O-CG 3.26Å; V479-K483 WeakPolarHBondContact O-CG 3.27Å; V479-K483 PolarHBondContact O-N 2.97Å; F480-K483 PolarHBondContact O-N 2.7Å; K483-R486 PolarHBondContact O-N 3.47Å; K483-L487 WeakPolarHBondContact O-CB 3.44Å; K483-L487 PolarHBondContact O-N 3.02Å
484	L	80.1	Confident	76.2	Confident	122 Å²	122	111.3 Å²	111.3	64%	0.639	54%	0.535	S	S	*	.	H	α-helix	trans	-64.1	-39.1	174.8	-121.8	100.3	0	0	0	112.4	F480 E482 K488	F480-L484 WeakPolarHBondContact O-CB 3.32Å; F480-L484 PolarHBondContact O-N 2.81Å; E482-L484 VanDerWaalsContact C-N 3.28Å; E482-L484 PolarHBondContact O-N 3.36Å; L484-K488 VanDerWaalsContact O-CB 3.23Å; L484-K488 WeakPolarHBondContact O-CB 3.47Å; L484-K488 PolarHBondContact O-N 2.91Å
485	S	74	Confident	75.4	Confident	55 Å²	55	112.8 Å²	112.8	39%	0.385	54%	0.539	S	S	.	.	H	α-helix	trans	-71.2	-38.1	179.4	80.5	0	0	0	0	111.9	K481 E482 N489	K481-S485 PolarHBondContact O-N 3.31Å; E482-S485 PolarHBondContact O-N 2.89Å; E482-S485 VanDerWaalsContact O-N 3.1Å; E482-S485 PolarHBondContact O-OG 3.23Å; S485-N489 WeakPolarHBondContact O-CB 3.37Å; S485-N489 PolarHBondContact O-N 2.91Å; S485-N489 PolarHBondContact O-ND2 2.98Å; S485-N489 VanDerWaalsContact O-ND2 3.1Å
486	R	78.7	Confident	74.5	Confident	150 Å²	150	112.1 Å²	112.1	57%	0.566	54%	0.536	S	S	*	.	H	α-helix	trans	-58.9	-57.2	170	-69.5	175	179.6	-120.4	6.9	110.8	E482 K483 K488 N489 D490	E482-R486 WeakPolarHBondContact O-CG 3.5Å; E482-R486 PolarHBondContact O-N 3.37Å; E482-R486 IonicContact OE1-CZ 3.97Å; E482-R486 IonicContact OE1-NE 3.77Å; E482-R486 PolarHBondContact OE1-NE 2.89Å; E482-R486 IonicContact OE1-NH2 3.58Å; E482-R486 PolarHBondContact OE1-NH2 2.93Å; K483-R486 PolarHBondContact O-N 3.47Å; R486-K488 VanDerWaalsContact C-N 3.29Å; R486-K488 PolarHBondContact O-N 3.21Å; R486-N489 WeakPolarHBondContact O-CA 3.22Å; R486-N489 WeakPolarHBondContact O-CB 3.46Å; R486-N489 PolarHBondContact O-N 2.86Å; R486-D490 PolarHBondContact O-N 3.46Å
487	L	76.5	Confident	73.2	Confident	105 Å²	105	107.2 Å²	107.2	55%	0.55	52%	0.518	S	S	.	.	H	α-helix	trans	-55.7	-41.4	179.1	-176.7	64	0	0	0	112.6	K483 D490 I491	K483-L487 WeakPolarHBondContact O-CB 3.44Å; K483-L487 PolarHBondContact O-N 3.02Å; L487-D490 PolarHBondContact O-N 3.34Å; L487-I491 HydrophobicContact CD1-CD1 4.19Å; L487-I491 HydrophobicContact CD1-CG1 4.41Å; L487-I491 HydrophobicContact CG-CD1 3.95Å; L487-I491 WeakPolarHBondContact O-CB 3.23Å; L487-I491 VanDerWaalsContact O-CG1 3.28Å; L487-I491 WeakPolarHBondContact O-CG1 3.49Å; L487-I491 PolarHBondContact O-N 2.77Å
488	K	77.6	Confident	72.1	Confident	157 Å²	157	107.9 Å²	107.9	68%	0.683	52%	0.518	S	S	*	.	H	α-helix	trans	-64.1	-38.5	175.5	-178.5	177.2	178.7	179.3	0	112.9	L484 R486 K492	L484-K488 VanDerWaalsContact O-CB 3.23Å; L484-K488 WeakPolarHBondContact O-CB 3.47Å; L484-K488 PolarHBondContact O-N 2.91Å; R486-K488 VanDerWaalsContact C-N 3.29Å; R486-K488 PolarHBondContact O-N 3.21Å; K488-K492 WeakPolarHBondContact O-CB 3.47Å; K488-K492 PolarHBondContact O-N 2.86Å
489	N	73.6	Confident	70.7	Confident	88 Å²	88	108.6 Å²	108.6	47%	0.471	52%	0.521	S	S	.	.	H	α-helix	trans	-71.5	-34.2	176.6	-71.3	-28.3	0	0	0	111.9	S485 R486 K492 K493	S485-N489 WeakPolarHBondContact O-CB 3.37Å; S485-N489 PolarHBondContact O-N 2.91Å; S485-N489 PolarHBondContact O-ND2 2.98Å; S485-N489 VanDerWaalsContact O-ND2 3.1Å; R486-N489 WeakPolarHBondContact O-CA 3.22Å; R486-N489 WeakPolarHBondContact O-CB 3.46Å; R486-N489 PolarHBondContact O-N 2.86Å; N489-K492 PolarHBondContact O-N 3.4Å; N489-K493 VanDerWaalsContact O-CG 3.32Å; N489-K493 WeakPolarHBondContact O-CG 3.25Å; N489-K493 PolarHBondContact O-N 2.9Å; N489-K493 VanDerWaalsContact O-N 3.08Å
490	D	75.6	Confident	69.1	Low	70 Å²	70	108.2 Å²	108.2	37%	0.374	52%	0.522	S	S	.	.	H	α-helix	trans	-77.4	-42.3	-178.8	-61.6	-33.7	0	0	0	111.4	R486 L487 K492 K493 E494	R486-D490 PolarHBondContact O-N 3.46Å; L487-D490 PolarHBondContact O-N 3.34Å; D490-K492 PolarHBondContact O-N 2.79Å; D490-K493 PolarHBondContact O-N 3.44Å; D490-K493 IonicContact OD1-NZ 3.82Å; D490-K493 PolarHBondContact OD1-NZ 2.83Å; D490-E494 PolarHBondContact O-N 3.33Å
491	I	73.7	Confident	67.9	Low	90 Å²	90	110.3 Å²	110.3	46%	0.462	53%	0.531	S	S	.	.	H	α-helix	trans	-53.9	-42.5	167.7	-70	166.5	0	0	0	110.9	L487 E494 Q495	L487-I491 HydrophobicContact CD1-CD1 4.19Å; L487-I491 HydrophobicContact CD1-CG1 4.41Å; L487-I491 HydrophobicContact CG-CD1 3.95Å; L487-I491 WeakPolarHBondContact O-CB 3.23Å; L487-I491 VanDerWaalsContact O-CG1 3.28Å; L487-I491 WeakPolarHBondContact O-CG1 3.49Å; L487-I491 PolarHBondContact O-N 2.77Å; I491-E494 PolarHBondContact O-N 2.93Å; I491-Q495 WeakPolarHBondContact O-CB 3.44Å; I491-Q495 PolarHBondContact O-N 2.98Å
492	K	71.6	Confident	66.4	Low	117 Å²	117	111.7 Å²	111.7	51%	0.509	54%	0.537	S	S	.	.	H	α-helix	trans	-63.1	-42.3	177.3	-176.2	179.4	170.6	-172.2	0	112.1	K488 N489 D490 Q495 E496	K488-K492 WeakPolarHBondContact O-CB 3.47Å; K488-K492 PolarHBondContact O-N 2.86Å; N489-K492 PolarHBondContact O-N 3.4Å; D490-K492 PolarHBondContact O-N 2.79Å; K492-Q495 PolarHBondContact O-N 3.12Å; K492-E496 VanDerWaalsContact CE-CD 3.4Å; K492-E496 WeakPolarHBondContact CE-OE1 3.47Å; K492-E496 IonicContact NZ-OE1 3.16Å; K492-E496 PolarHBondContact NZ-OE1 3.01Å; K492-E496 WeakPolarHBondContact O-CG 3.39Å; K492-E496 PolarHBondContact O-N 2.74Å
493	K	69.5	Low	64.6	Low	126 Å²	126	110.6 Å²	110.6	55%	0.548	54%	0.539	S	S	.	.	H	α-helix	trans	-68.8	-34	177.2	-69.7	167.3	-162.9	157.5	0	112.9	N489 D490 G497	N489-K493 VanDerWaalsContact O-CG 3.32Å; N489-K493 WeakPolarHBondContact O-CG 3.25Å; N489-K493 PolarHBondContact O-N 2.9Å; N489-K493 VanDerWaalsContact O-N 3.08Å; D490-K493 PolarHBondContact O-N 3.44Å; D490-K493 IonicContact OD1-NZ 3.82Å; D490-K493 PolarHBondContact OD1-NZ 2.83Å; K493-G497 WeakPolarHBondContact O-CA 3.46Å; K493-G497 PolarHBondContact O-N 3.07Å
494	E	64.6	Low	62.6	Low	137 Å²	137	110.2 Å²	110.2	64%	0.64	54%	0.543	S	S	*	.	H	α-helix	trans	-66	-43.7	174.2	-72	-178.1	159	0	0	110.3	D490 I491 G497 E498	D490-E494 PolarHBondContact O-N 3.33Å; I491-E494 PolarHBondContact O-N 2.93Å; E494-G497 CarbonylContact O-C 3.56Å; E494-G497 PolarHBondContact O-N 3.12Å; E494-G497 VanDerWaalsContact O-N 3.1Å; E494-E498 PolarHBondContact O-N 3.41Å
495	Q	55	Low	60.7	Low	137 Å²	137	109.9 Å²	109.9	64%	0.64	55%	0.55	S	S	*	*	H	α-helix	trans	-65.5	-45.2	177.7	-161	159.3	28.8	0	0	112.6	I491 K492 G497	I491-Q495 WeakPolarHBondContact O-CB 3.44Å; I491-Q495 PolarHBondContact O-N 2.98Å; K492-Q495 PolarHBondContact O-N 3.12Å; Q495-G497 PolarHBondContact O-N 2.88Å
496	E	53.9	Low	59.2	Low	116 Å²	116	115.1 Å²	115.1	54%	0.542	57%	0.573	S	S	.	*	H	α-helix	trans	-66.9	-24.4	171.4	-70.4	175.8	166	0	0	112.4	K492 S500	K492-E496 VanDerWaalsContact CE-CD 3.4Å; K492-E496 WeakPolarHBondContact CE-OE1 3.47Å; K492-E496 IonicContact NZ-OE1 3.16Å; K492-E496 PolarHBondContact NZ-OE1 3.01Å; K492-E496 WeakPolarHBondContact O-CG 3.39Å; K492-E496 PolarHBondContact O-N 2.74Å; E496-S500 WeakPolarHBondContact O-CB 3.34Å
497	G	53.1	Low	57.3	Low	19 Å²	19	113.8 Å²	113.8	20%	0.196	57%	0.572	C	S	.	*	H	α-helix	trans	-89.2	-20.5	-174.5	0	0	0	0	0	116	K493 E494 Q495 K501	K493-G497 WeakPolarHBondContact O-CA 3.46Å; K493-G497 PolarHBondContact O-N 3.07Å; E494-G497 CarbonylContact O-C 3.56Å; E494-G497 PolarHBondContact O-N 3.12Å; E494-G497 VanDerWaalsContact O-N 3.1Å; Q495-G497 PolarHBondContact O-N 2.88Å; G497-K501 WeakPolarHBondContact O-CD 3.36Å; G497-K501 WeakPolarHBondContact O-CE 3.34Å; G497-K501 WeakPolarHBondContact O-CG 3.47Å; G497-K501 PolarHBondContact O-NZ 3.33Å
498	E	53.1	Low	56	Low	127 Å²	127	112.4 Å²	112.4	59%	0.593	57%	0.571	S	S	*	*	H	α-helix	trans	-84.5	-44.9	172.1	-76.8	-138.3	97.4	0	0	112.3	E494 S500 K501 K502	E494-E498 PolarHBondContact O-N 3.41Å; E498-S500 PolarHBondContact O-N 3.47Å; E498-K501 PolarHBondContact O-N 2.99Å; E498-K502 IonicContact OE1-NZ 3.85Å
499	D	48.9	Very low	54.5	Low	117 Å²	117	113.7 Å²	113.7	63%	0.626	58%	0.579	S	S	*	*	H	α-helix	trans	-66.9	-37.8	-177.2	-76.8	-21.3	0	0	0	112.1	K501 S503	D499-K501 VanDerWaalsContact C-N 3.26Å; D499-K501 PolarHBondContact O-N 2.88Å; D499-S503 PolarHBondContact O-OG 3.22Å
500	S	49.8	Very low	53.3	Low	59 Å²	59	116.1 Å²	116.1	41%	0.413	59%	0.586	S	S	.	*	H	α-helix	trans	-64.1	-25.5	178.6	-177.7	0	0	0	0	114	E496 E498 S503 N504	E496-S500 WeakPolarHBondContact O-CB 3.34Å; E498-S500 PolarHBondContact O-N 3.47Å; S500-S503 PolarHBondContact O-OG 3.11Å; S500-N504 PolarHBondContact O-ND2 3.05Å; S500-N504 PolarHBondContact OG-ND2 2.7Å
501	K	50.7	Low	52.2	Low	172 Å²	172	118 Å²	118	75%	0.748	59%	0.592	S	S	*	*	H	α-helix	trans	-89.1	-6.1	-173.6	-68.9	174.6	-169	152.4	0	114.5	G497 E498 D499	G497-K501 WeakPolarHBondContact O-CD 3.36Å; G497-K501 WeakPolarHBondContact O-CE 3.34Å; G497-K501 WeakPolarHBondContact O-CG 3.47Å; G497-K501 PolarHBondContact O-NZ 3.33Å; E498-K501 PolarHBondContact O-N 2.99Å; D499-K501 VanDerWaalsContact C-N 3.26Å; D499-K501 PolarHBondContact O-N 2.88Å
502	K	49.1	Very low	51.2	Low	169 Å²	169	119.1 Å²	119.1	74%	0.735	60%	0.599	S	S	*	*	H	α-helix	trans	-107.3	-10.2	-179.6	-70.1	167.5	-174	151.7	0	113.9	E498	E498-K502 IonicContact OE1-NZ 3.85Å
503	S	44.7	Very low	50.2	Low	67 Å²	67	118.4 Å²	118.4	47%	0.469	60%	0.601	S	S	.	*	H	α-helix	trans	-104	-32.9	-176.5	51.2	0	0	0	0	114.7	D499 S500 S505	D499-S503 PolarHBondContact O-OG 3.22Å; S500-S503 PolarHBondContact O-OG 3.11Å; S503-S505 VanDerWaalsContact C-N 3.26Å; S503-S505 PolarHBondContact O-N 3.06Å
504	N	41.8	Very low	49.4	Very low	115 Å²	115	117 Å²	117	62%	0.615	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	41.7	-165.1	-83.1	-47	0	0	0	116.7	S500	S500-N504 PolarHBondContact O-ND2 3.05Å; S500-N504 PolarHBondContact OG-ND2 2.7Å
505	S	38.8	Very low	48.8	Very low	114 Å²	114	119.7 Å²	119.7	80%	0.797	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.7	0.3	175.8	-171.5	0	0	0	0	115.7	S503	S503-S505 VanDerWaalsContact C-N 3.26Å; S503-S505 PolarHBondContact O-N 3.06Å
506	L	43.1	Very low	48.5	Very low	165 Å²	165	123.3 Å²	123.3	86%	0.864	61%	0.613	S	S	*	*	S	Bend	trans	-148.1	10	-176.4	-147.2	79.5	0	0	0	116.1
507	F	37.9	Very low	48.7	Very low	122 Å²	122	124 Å²	124	54%	0.535	61%	0.614	S	S	.	*			trans	-116.9	-29.3	-170.7	-112.5	-100.6	0	0	0	116.5	Q509 K510 E511	F507-Q509 PolarHBondContact O-N 3.31Å; F507-K510 PolarHBondContact O-N 2.99Å; F507-E511 HydrophobicContact CD1-CG 4.28Å
508	S	49.3	Very low	48.7	Very low	76 Å²	76	132 Å²	132	53%	0.531	64%	0.639	S	S	.	*	H	α-helix	trans	-58.1	-25.6	-167.5	-44.8	0	0	0	0	115.4	K510	S508-K510 PolarHBondContact O-N 2.87Å
509	Q	47.3	Very low	49.2	Very low	184 Å²	184	127.5 Å²	127.5	86%	0.86	63%	0.626	S	S	*	*	H	α-helix	trans	-77.7	-2.5	177.7	-158.5	172.3	21.1	0	0	114.2	F507	F507-Q509 PolarHBondContact O-N 3.31Å
510	K	48.3	Very low	49.8	Very low	140 Å²	140	126.9 Å²	126.9	61%	0.609	62%	0.619	S	S	*	*	H	α-helix	trans	-112.4	-13.3	178.8	-72.5	-177.1	177.4	176.6	0	114.3	F507 S508 N514	F507-K510 PolarHBondContact O-N 2.99Å; S508-K510 PolarHBondContact O-N 2.87Å; K510-N514 PolarHBondContact O-ND2 3.09Å
511	E	51.4	Low	50.7	Low	108 Å²	108	128 Å²	128	51%	0.505	62%	0.623	S	S	.	*	H	α-helix	trans	-88	-37	-173.2	-68.4	176.2	142.1	0	0	111.4	F507 D513 N514 Y515	F507-E511 HydrophobicContact CD1-CG 4.28Å; E511-D513 PolarHBondContact O-N 3.43Å; E511-N514 PolarHBondContact O-N 3.03Å; E511-N514 VanDerWaalsContact O-N 3.08Å; E511-Y515 PolarHBondContact O-N 2.98Å
512	D	52.8	Low	51.4	Low	114 Å²	114	126.5 Å²	126.5	61%	0.61	62%	0.619	S	S	*	*	H	α-helix	trans	-56.3	-49.9	174.2	-64.2	-17.4	0	0	0	112.3	N514 Y515 W516	D512-N514 PolarHBondContact O-N 2.84Å; D512-Y515 PolarHBondContact O-N 3.29Å; D512-Y515 VanDerWaalsContact O-N 3.09Å; D512-W516 VanDerWaalsContact O-CD1 3.26Å; D512-W516 PolarHBondContact O-N 2.86Å
513	D	52.3	Low	52.5	Low	103 Å²	103	123.4 Å²	123.4	55%	0.551	61%	0.61	S	S	*	*	H	α-helix	trans	-55.2	-34.1	175.4	-96.9	17.8	0	0	0	113.1	E511 K517	E511-D513 PolarHBondContact O-N 3.43Å; D513-K517 WeakPolarHBondContact O-CD 3.38Å; D513-K517 WeakPolarHBondContact O-CG 3.19Å; D513-K517 PolarHBondContact O-N 3.07Å
514	N	51.5	Low	54	Low	97 Å²	97	124.6 Å²	124.6	52%	0.519	61%	0.608	S	S	.	*	H	α-helix	trans	-84.5	-24.8	-179.4	-80.1	-63.1	0	0	0	112.6	K510 E511 D512 R518	K510-N514 PolarHBondContact O-ND2 3.09Å; E511-N514 PolarHBondContact O-N 3.03Å; E511-N514 VanDerWaalsContact O-N 3.08Å; D512-N514 PolarHBondContact O-N 2.84Å; N514-R518 WeakPolarHBondContact O-CB 3.49Å; N514-R518 PolarHBondContact O-N 3.38Å
515	Y	52.6	Low	55.6	Low	192 Å²	192	122.9 Å²	122.9	75%	0.753	60%	0.602	S	S	*	*	H	α-helix	trans	-68	-47.5	175.2	-140.3	-87.7	0	0	0	111	E511 D512 R518 G519	E511-Y515 PolarHBondContact O-N 2.98Å; D512-Y515 PolarHBondContact O-N 3.29Å; D512-Y515 VanDerWaalsContact O-N 3.09Å; Y515-R518 PolarHBondContact O-N 2.86Å; Y515-G519 PolarHBondContact O-N 2.65Å
516	W	49	Very low	57.5	Low	214 Å²	214	119.3 Å²	119.3	81%	0.811	58%	0.579	S	S	*	*	H	α-helix	trans	-62.8	-43	175.7	-69.3	108.4	0	0	0	112.8	D512 R518 G519 H520	D512-W516 VanDerWaalsContact O-CD1 3.26Å; D512-W516 PolarHBondContact O-N 2.86Å; W516-R518 PolarHBondContact O-N 2.97Å; W516-G519 PolarHBondContact O-N 2.86Å; W516-H520 PolarHBondContact O-N 2.82Å
517	K	56.8	Low	59.1	Low	129 Å²	129	117.1 Å²	117.1	56%	0.561	56%	0.56	S	S	*	*	H	α-helix	trans	-63.7	-38.1	176.2	-75.8	173.2	-179.3	167.6	0	112.9	D513 H520 V521	D513-K517 WeakPolarHBondContact O-CD 3.38Å; D513-K517 WeakPolarHBondContact O-CG 3.19Å; D513-K517 PolarHBondContact O-N 3.07Å; K517-H520 PolarHBondContact O-N 2.9Å; K517-V521 WeakPolarHBondContact O-CG2 3.38Å; K517-V521 PolarHBondContact O-N 3.16Å
518	R	53.4	Low	60.9	Low	189 Å²	189	119.4 Å²	119.4	71%	0.713	57%	0.565	S	S	*	*	H	α-helix	trans	-63	-41.4	176.8	-173.8	177.7	-65.1	-91.4	-0.3	111.8	N514 Y515 W516 Q522	N514-R518 WeakPolarHBondContact O-CB 3.49Å; N514-R518 PolarHBondContact O-N 3.38Å; Y515-R518 PolarHBondContact O-N 2.86Å; W516-R518 PolarHBondContact O-N 2.97Å; R518-Q522 WeakPolarHBondContact O-CB 3.43Å; R518-Q522 PolarHBondContact O-N 2.85Å
519	G	62.8	Low	62.3	Low	31 Å²	31	120 Å²	120	32%	0.32	56%	0.562	S	S	.	*	H	α-helix	trans	-61.5	-53	173.6	0	0	0	0	0	112.4	Y515 W516 V521 Q522 D523	Y515-G519 PolarHBondContact O-N 2.65Å; W516-G519 PolarHBondContact O-N 2.86Å; G519-V521 VanDerWaalsContact C-N 3.34Å; G519-V521 PolarHBondContact O-N 2.84Å; G519-Q522 WeakPolarHBondContact O-CB 3.37Å; G519-Q522 PolarHBondContact O-N 3.01Å; G519-D523 PolarHBondContact O-N 3.18Å
520	H	61.7	Low	63.8	Low	105 Å²	105	118.5 Å²	118.5	49%	0.486	55%	0.553	S	S	.	*	H	α-helix	trans	-58.2	-43.1	-178.1	-166.2	-78.1	0	0	0	112.9	W516 K517 Q522 D523 E524	W516-H520 PolarHBondContact O-N 2.82Å; K517-H520 PolarHBondContact O-N 2.9Å; H520-Q522 VanDerWaalsContact C-N 3.3Å; H520-Q522 PolarHBondContact O-N 3.42Å; H520-D523 PolarHBondContact O-N 3.4Å; H520-E524 IonicContact CE1-OE1 3.18Å; H520-E524 IonicContact CE1-OE2 2.77Å; H520-E524 IonicContact ND1-OE2 3.69Å; H520-E524 VanDerWaalsContact O-CB 3.24Å; H520-E524 WeakPolarHBondContact O-CB 3.22Å; H520-E524 PolarHBondContact O-N 2.8Å
521	V	70	Confident	65.2	Low	83 Å²	83	118 Å²	118	50%	0.503	55%	0.552	S	S	.	*	H	α-helix	trans	-65.2	-33.8	176.7	171.6	0	0	0	0	111.9	K517 G519 V525	K517-V521 WeakPolarHBondContact O-CG2 3.38Å; K517-V521 PolarHBondContact O-N 3.16Å; G519-V521 VanDerWaalsContact C-N 3.34Å; G519-V521 PolarHBondContact O-N 2.84Å; V521-V525 WeakPolarHBondContact O-CG2 3.27Å; V521-V525 PolarHBondContact O-N 3.08Å
522	Q	65.3	Low	66	Low	139 Å²	139	114.9 Å²	114.9	65%	0.65	54%	0.543	S	S	*	.	H	α-helix	trans	-71.5	-41.6	177.9	-170.4	166.3	3.3	0	0	111.9	R518 G519 H520 A526	R518-Q522 WeakPolarHBondContact O-CB 3.43Å; R518-Q522 PolarHBondContact O-N 2.85Å; G519-Q522 WeakPolarHBondContact O-CB 3.37Å; G519-Q522 PolarHBondContact O-N 3.01Å; H520-Q522 VanDerWaalsContact C-N 3.3Å; H520-Q522 PolarHBondContact O-N 3.42Å; Q522-A526 WeakPolarHBondContact O-CB 3.45Å; Q522-A526 PolarHBondContact O-N 2.81Å
523	D	72.5	Confident	66.7	Low	104 Å²	104	112.9 Å²	112.9	56%	0.556	54%	0.535	S	S	*	.	H	α-helix	trans	-66.6	-36	172.8	-79	-34.4	0	0	0	112.3	G519 H520 A526 R527	G519-D523 PolarHBondContact O-N 3.18Å; H520-D523 PolarHBondContact O-N 3.4Å; D523-A526 CarbonylContact O-C 3.58Å; D523-A526 WeakPolarHBondContact O-CB 3.29Å; D523-A526 PolarHBondContact O-N 2.86Å; D523-R527 WeakPolarHBondContact O-CG 3.38Å; D523-R527 PolarHBondContact O-N 2.86Å
524	E	75.8	Confident	67.7	Low	92 Å²	92	111.4 Å²	111.4	43%	0.43	53%	0.532	S	S	.	.	H	α-helix	trans	-64.8	-43.6	176.9	-170.1	136.5	-109.5	0	0	112.5	H520 A526 R527 W528	H520-E524 IonicContact CE1-OE1 3.18Å; H520-E524 IonicContact CE1-OE2 2.77Å; H520-E524 IonicContact ND1-OE2 3.69Å; H520-E524 VanDerWaalsContact O-CB 3.24Å; H520-E524 WeakPolarHBondContact O-CB 3.22Å; H520-E524 PolarHBondContact O-N 2.8Å; E524-A526 VanDerWaalsContact C-N 3.3Å; E524-A526 PolarHBondContact O-N 3.03Å; E524-R527 VanDerWaalsContact CD-NH2 3.29Å; E524-R527 WeakPolarHBondContact O-CB 3.3Å; E524-R527 PolarHBondContact O-N 3.15Å; E524-R527 IonicContact OE1-CZ 2.81Å; E524-R527 IonicContact OE1-NH2 2.87Å; E524-R527 PolarHBondContact OE1-NH2 3.19Å; E524-W528 PolarHBondContact O-N 3.22Å
525	V	75.1	Confident	68.9	Low	79 Å²	79	110.1 Å²	110.1	48%	0.479	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-36.7	170.6	170.6	0	0	0	0	111.1	V521 W528 N529	V521-V525 WeakPolarHBondContact O-CG2 3.27Å; V521-V525 PolarHBondContact O-N 3.08Å; V525-W528 PolarHBondContact O-N 2.91Å; V525-N529 WeakPolarHBondContact O-CB 3.17Å; V525-N529 VanDerWaalsContact O-CG 3.29Å; V525-N529 PolarHBondContact O-N 3.26Å; V525-N529 PolarHBondContact O-ND2 2.76Å; V525-N529 VanDerWaalsContact O-ND2 3.11Å
526	A	78.3	Confident	70.3	Confident	39 Å²	39	107.2 Å²	107.2	32%	0.322	52%	0.524	S	S	.	.	H	α-helix	trans	-68.4	-33	175.1	0	0	0	0	0	113.2	Q522 D523 E524 K530	Q522-A526 WeakPolarHBondContact O-CB 3.45Å; Q522-A526 PolarHBondContact O-N 2.81Å; D523-A526 CarbonylContact O-C 3.58Å; D523-A526 WeakPolarHBondContact O-CB 3.29Å; D523-A526 PolarHBondContact O-N 2.86Å; E524-A526 VanDerWaalsContact C-N 3.3Å; E524-A526 PolarHBondContact O-N 3.03Å; A526-K530 WeakPolarHBondContact O-CD 3.43Å; A526-K530 VanDerWaalsContact O-CG 3.31Å; A526-K530 WeakPolarHBondContact O-CG 3.37Å; A526-K530 PolarHBondContact O-N 3.11Å
527	R	77.9	Confident	71.7	Confident	119 Å²	119	103.3 Å²	103.3	45%	0.449	52%	0.515	S	S	.	.	H	α-helix	trans	-64.5	-54.3	169.7	-70.9	-171.1	-64	-94.1	13	110.5	D523 E524 N529 K530 E531	D523-R527 WeakPolarHBondContact O-CG 3.38Å; D523-R527 PolarHBondContact O-N 2.86Å; E524-R527 VanDerWaalsContact CD-NH2 3.29Å; E524-R527 WeakPolarHBondContact O-CB 3.3Å; E524-R527 PolarHBondContact O-N 3.15Å; E524-R527 IonicContact OE1-CZ 2.81Å; E524-R527 IonicContact OE1-NH2 2.87Å; E524-R527 PolarHBondContact OE1-NH2 3.19Å; R527-N529 VanDerWaalsContact C-N 3.29Å; R527-N529 PolarHBondContact O-N 3.02Å; R527-K530 WeakPolarHBondContact O-CB 3.42Å; R527-K530 PolarHBondContact O-N 2.98Å; R527-E531 PolarHBondContact O-N 3.14Å
528	W	75.6	Confident	72.9	Confident	171 Å²	171	99.9 Å²	99.9	65%	0.648	51%	0.511	S	S	*	.	H	α-helix	trans	-62.8	-33.1	-174.5	-162.7	74.6	0	0	0	113.3	E524 V525 S532	E524-W528 PolarHBondContact O-N 3.22Å; V525-W528 PolarHBondContact O-N 2.91Å; W528-S532 VanDerWaalsContact O-CB 3.28Å; W528-S532 WeakPolarHBondContact O-CB 3.47Å; W528-S532 PolarHBondContact O-N 2.89Å; W528-S532 PolarHBondContact O-OG 3.22Å
529	N	78.2	Confident	73.9	Confident	87 Å²	87	95.2 Å²	95.2	47%	0.465	50%	0.503	S	S	.	.	H	α-helix	trans	-70	-37.1	173.4	-73	-32.2	0	0	0	113.2	V525 R527 T533	V525-N529 WeakPolarHBondContact O-CB 3.17Å; V525-N529 VanDerWaalsContact O-CG 3.29Å; V525-N529 PolarHBondContact O-N 3.26Å; V525-N529 PolarHBondContact O-ND2 2.76Å; V525-N529 VanDerWaalsContact O-ND2 3.11Å; R527-N529 VanDerWaalsContact C-N 3.29Å; R527-N529 PolarHBondContact O-N 3.02Å; N529-T533 PolarHBondContact O-N 2.88Å; N529-T533 VanDerWaalsContact O-N 3.11Å; N529-T533 PolarHBondContact O-OG1 3.13Å
530	K	77.6	Confident	74.9	Confident	154 Å²	154	97.8 Å²	97.8	67%	0.67	51%	0.507	S	S	*	.	H	α-helix	trans	-68.3	-38.5	172.7	-71.7	170.3	-178	174.7	0	111.7	A526 R527 T533 S534	A526-K530 WeakPolarHBondContact O-CD 3.43Å; A526-K530 VanDerWaalsContact O-CG 3.31Å; A526-K530 WeakPolarHBondContact O-CG 3.37Å; A526-K530 PolarHBondContact O-N 3.11Å; R527-K530 WeakPolarHBondContact O-CB 3.42Å; R527-K530 PolarHBondContact O-N 2.98Å; K530-T533 WeakPolarHBondContact CA-OG1 3.28Å; K530-T533 PolarHBondContact O-OG1 3.08Å; K530-T533 VanDerWaalsContact O-OG1 3.08Å; K530-S534 VanDerWaalsContact O-CB 3.27Å; K530-S534 WeakPolarHBondContact O-CB 3.39Å; K530-S534 PolarHBondContact O-N 2.82Å
531	E	79.6	Confident	76	Confident	128 Å²	128	97.9 Å²	97.9	60%	0.598	51%	0.508	S	S	*	.	H	α-helix	trans	-68.2	-44.3	175.9	-176.5	169.2	-143.5	0	0	111.8	R527 T533 S534 S535	R527-E531 PolarHBondContact O-N 3.14Å; E531-T533 VanDerWaalsContact C-N 3.34Å; E531-T533 PolarHBondContact O-N 2.88Å; E531-S534 PolarHBondContact O-N 3.27Å; E531-S535 VanDerWaalsContact O-CB 3.29Å; E531-S535 WeakPolarHBondContact O-CB 3.22Å; E531-S535 PolarHBondContact O-N 3.32Å
532	S	67.8	Low	76.8	Confident	44 Å²	44	96.7 Å²	96.7	31%	0.308	51%	0.507	S	S	.	.	H	α-helix	trans	-59.3	-42.9	175.4	-63.6	0	0	0	0	112.2	W528 Q536	W528-S532 VanDerWaalsContact O-CB 3.28Å; W528-S532 WeakPolarHBondContact O-CB 3.47Å; W528-S532 PolarHBondContact O-N 2.89Å; W528-S532 PolarHBondContact O-OG 3.22Å; S532-Q536 WeakPolarHBondContact O-CB 3.44Å; S532-Q536 PolarHBondContact O-N 3.32Å
533	T	66.8	Low	77.8	Confident	72 Å²	72	97.1 Å²	97.1	44%	0.442	50%	0.502	S	S	.	.	H	α-helix	trans	-71.7	-37	177.2	44.3	0	0	0	0	112.8	N529 K530 E531 Q536 Q537	N529-T533 PolarHBondContact O-N 2.88Å; N529-T533 VanDerWaalsContact O-N 3.11Å; N529-T533 PolarHBondContact O-OG1 3.13Å; K530-T533 WeakPolarHBondContact CA-OG1 3.28Å; K530-T533 PolarHBondContact O-OG1 3.08Å; K530-T533 VanDerWaalsContact O-OG1 3.08Å; E531-T533 VanDerWaalsContact C-N 3.34Å; E531-T533 PolarHBondContact O-N 2.88Å; T533-Q536 PolarHBondContact O-N 2.86Å; T533-Q537 WeakPolarHBondContact O-CG 3.29Å; T533-Q537 PolarHBondContact O-N 2.99Å
534	S	72.9	Confident	78.5	Confident	71 Å²	71	99.4 Å²	99.4	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-62.7	-45.5	172	-176	0	0	0	0	112	K530 E531 Q537 A538	K530-S534 VanDerWaalsContact O-CB 3.27Å; K530-S534 WeakPolarHBondContact O-CB 3.39Å; K530-S534 PolarHBondContact O-N 2.82Å; E531-S534 PolarHBondContact O-N 3.27Å; S534-Q537 PolarHBondContact O-N 3.26Å; S534-A538 WeakPolarHBondContact O-CB 3.46Å; S534-A538 PolarHBondContact O-N 3.22Å
535	S	78.1	Confident	79.3	Confident	71 Å²	71	100.7 Å²	100.7	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-62.4	-43.9	175.8	-175.1	0	0	0	0	111.6	E531 Q537 A538 T539	E531-S535 VanDerWaalsContact O-CB 3.29Å; E531-S535 WeakPolarHBondContact O-CB 3.22Å; E531-S535 PolarHBondContact O-N 3.32Å; S535-Q537 PolarHBondContact O-N 3.43Å; S535-A538 PolarHBondContact O-N 3.12Å; S535-T539 WeakPolarHBondContact O-CG2 3.22Å; S535-T539 PolarHBondContact O-N 2.79Å
536	Q	81.4	Confident	80.3	Confident	130 Å²	130	103.7 Å²	103.7	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-58.3	-47.2	173.1	-172.5	175.7	3.5	0	0	111.6	S532 T533 A538 T539 E540	S532-Q536 WeakPolarHBondContact O-CB 3.44Å; S532-Q536 PolarHBondContact O-N 3.32Å; T533-Q536 PolarHBondContact O-N 2.86Å; Q536-A538 PolarHBondContact O-N 3.31Å; Q536-T539 PolarHBondContact O-N 2.86Å; Q536-T539 PolarHBondContact O-OG1 3.27Å; Q536-E540 PolarHBondContact O-N 2.75Å
537	Q	78.4	Confident	80.9	Confident	133 Å²	133	106.6 Å²	106.6	62%	0.621	52%	0.521	S	S	*	.	H	α-helix	trans	-60.5	-41	174.8	-73.7	174.9	5.3	0	0	112.4	T533 S534 S535 T539 E540 E541	T533-Q537 WeakPolarHBondContact O-CG 3.29Å; T533-Q537 PolarHBondContact O-N 2.99Å; S534-Q537 PolarHBondContact O-N 3.26Å; S535-Q537 PolarHBondContact O-N 3.43Å; Q537-T539 PolarHBondContact O-N 2.94Å; Q537-E540 PolarHBondContact O-N 2.84Å; Q537-E541 PolarHBondContact O-N 3.25Å
538	A	82.2	Confident	81.7	Confident	57 Å²	57	107.8 Å²	107.8	47%	0.471	53%	0.531	S	S	.	.	H	α-helix	trans	-63.1	-39.3	175.9	0	0	0	0	0	112.4	S534 S535 Q536 E541 A542	S534-A538 WeakPolarHBondContact O-CB 3.46Å; S534-A538 PolarHBondContact O-N 3.22Å; S535-A538 PolarHBondContact O-N 3.12Å; Q536-A538 PolarHBondContact O-N 3.31Å; A538-E541 PolarHBondContact O-N 2.89Å; A538-A542 WeakPolarHBondContact O-CB 3.28Å; A538-A542 PolarHBondContact O-N 3.38Å
539	T	75	Confident	82.6	Confident	90 Å²	90	105 Å²	105	55%	0.552	53%	0.529	S	S	*	.	H	α-helix	trans	-68	-36.2	173.6	65.7	0	0	0	0	112.4	S535 Q536 Q537 A542 R543	S535-T539 WeakPolarHBondContact O-CG2 3.22Å; S535-T539 PolarHBondContact O-N 2.79Å; Q536-T539 PolarHBondContact O-N 2.86Å; Q536-T539 PolarHBondContact O-OG1 3.27Å; Q537-T539 PolarHBondContact O-N 2.94Å; T539-A542 PolarHBondContact O-N 2.66Å; T539-R543 PolarHBondContact O-N 3.08Å
540	E	82.3	Confident	83.2	Confident	85 Å²	85	104.9 Å²	104.9	40%	0.397	53%	0.528	S	S	.	.	H	α-helix	trans	-71.2	-37.7	175.5	-151.6	-161.5	137.5	0	0	111.8	Q536 Q537 R543 R544	Q536-E540 PolarHBondContact O-N 2.75Å; Q537-E540 PolarHBondContact O-N 2.84Å; E540-R543 CarbonylContact O-C 3.54Å; E540-R543 WeakPolarHBondContact O-CA 3.46Å; E540-R543 VanDerWaalsContact O-CB 3.28Å; E540-R543 WeakPolarHBondContact O-CB 3.28Å; E540-R543 PolarHBondContact O-N 3.45Å; E540-R543 VanDerWaalsContact O-N 3.14Å; E540-R544 WeakPolarHBondContact O-CG 3.36Å; E540-R544 PolarHBondContact O-N 2.98Å; E540-R544 IonicContact OE1-CZ 2.73Å; E540-R544 IonicContact OE1-NE 3.83Å; E540-R544 PolarHBondContact OE1-NE 2.89Å; E540-R544 IonicContact OE1-NH2 3.9Å; E540-R544 PolarHBondContact OE1-NH2 3.22Å; E540-R544 IonicContact OE2-NH2 2.7Å
541	E	86.1	Confident	83.9	Confident	108 Å²	108	100 Å²	100	51%	0.505	52%	0.516	S	S	.	.	H	α-helix	trans	-60.8	-42.9	169.8	-85	-155.8	-171.7	0	0	112	Q537 A538 R543 R544 K545	Q537-E541 PolarHBondContact O-N 3.25Å; A538-E541 PolarHBondContact O-N 2.89Å; E541-R543 VanDerWaalsContact C-N 3.26Å; E541-R543 PolarHBondContact O-N 3.48Å; E541-R544 PolarHBondContact O-N 3.21Å; E541-K545 WeakPolarHBondContact O-CB 3.29Å; E541-K545 WeakPolarHBondContact O-CD 3.44Å; E541-K545 VanDerWaalsContact O-CG 3.23Å; E541-K545 WeakPolarHBondContact O-CG 3.2Å; E541-K545 PolarHBondContact O-N 3.28Å; E541-K545 WeakPolarHBondContact OE2-CE 3.4Å; E541-K545 IonicContact OE2-NZ 2.66Å; E541-K545 PolarHBondContact OE2-NZ 3.29Å
542	A	86.1	Confident	84.6	Confident	58 Å²	58	100.6 Å²	100.6	48%	0.479	52%	0.517	S	S	.	.	H	α-helix	trans	-61.1	-38.4	173.6	0	0	0	0	0	111.1	A538 T539 K546	A538-A542 WeakPolarHBondContact O-CB 3.28Å; A538-A542 PolarHBondContact O-N 3.38Å; T539-A542 PolarHBondContact O-N 2.66Å; A542-K546 WeakPolarHBondContact O-CB 3.45Å; A542-K546 PolarHBondContact O-N 2.98Å
543	R	86.4	Confident	85.7	Confident	147 Å²	147	102.6 Å²	102.6	56%	0.555	52%	0.522	S	S	*	.	H	α-helix	trans	-62.6	-47.3	172.8	-150.4	-156	89.3	162.9	8	111.8	T539 E540 E541 K546 E547	T539-R543 PolarHBondContact O-N 3.08Å; E540-R543 CarbonylContact O-C 3.54Å; E540-R543 WeakPolarHBondContact O-CA 3.46Å; E540-R543 VanDerWaalsContact O-CB 3.28Å; E540-R543 WeakPolarHBondContact O-CB 3.28Å; E540-R543 PolarHBondContact O-N 3.45Å; E540-R543 VanDerWaalsContact O-N 3.14Å; E541-R543 VanDerWaalsContact C-N 3.26Å; E541-R543 PolarHBondContact O-N 3.48Å; R543-K546 WeakPolarHBondContact O-CB 3.17Å; R543-K546 PolarHBondContact O-N 2.83Å; R543-E547 IonicContact CZ-OE2 3.79Å; R543-E547 IonicContact NE-OE2 2.88Å; R543-E547 IonicContact NH2-OE1 3.99Å; R543-E547 IonicContact NH2-OE2 3.93Å; R543-E547 PolarHBondContact NH2-OE2 3.33Å; R543-E547 VanDerWaalsContact O-CB 3.29Å; R543-E547 WeakPolarHBondContact O-CB 2.96Å; R543-E547 PolarHBondContact O-N 2.93Å
544	R	87.9	Confident	86.9	Confident	152 Å²	152	107 Å²	107	57%	0.574	53%	0.531	S	S	*	.	H	α-helix	trans	-66	-38.1	178.7	-69.3	178.6	-171.1	-170.8	4.1	112	E540 E541 E547 Q548	E540-R544 WeakPolarHBondContact O-CG 3.36Å; E540-R544 PolarHBondContact O-N 2.98Å; E540-R544 IonicContact OE1-CZ 2.73Å; E540-R544 IonicContact OE1-NE 3.83Å; E540-R544 PolarHBondContact OE1-NE 2.89Å; E540-R544 IonicContact OE1-NH2 3.9Å; E540-R544 PolarHBondContact OE1-NH2 3.22Å; E540-R544 IonicContact OE2-NH2 2.7Å; E541-R544 PolarHBondContact O-N 3.21Å; R544-E547 PolarHBondContact O-N 2.78Å; R544-Q548 VanDerWaalsContact O-CB 3.31Å; R544-Q548 WeakPolarHBondContact O-CB 3.28Å; R544-Q548 PolarHBondContact O-N 3.38Å
545	K	92.6	Very high	87.7	Confident	119 Å²	119	107.1 Å²	107.1	52%	0.517	52%	0.523	S	S	.	.	H	α-helix	trans	-65.4	-41.2	173.6	-71.2	161.9	-170.1	165.1	0	111.5	E541 L549	E541-K545 WeakPolarHBondContact O-CB 3.29Å; E541-K545 WeakPolarHBondContact O-CD 3.44Å; E541-K545 VanDerWaalsContact O-CG 3.23Å; E541-K545 WeakPolarHBondContact O-CG 3.2Å; E541-K545 PolarHBondContact O-N 3.28Å; E541-K545 WeakPolarHBondContact OE2-CE 3.4Å; E541-K545 IonicContact OE2-NZ 2.66Å; E541-K545 PolarHBondContact OE2-NZ 3.29Å; K545-L549 WeakPolarHBondContact O-CB 3.48Å; K545-L549 PolarHBondContact O-N 2.94Å
546	K	94.8	Very high	88.1	Confident	142 Å²	142	106.9 Å²	106.9	62%	0.617	52%	0.516	S	S	*	.	H	α-helix	trans	-63.1	-42.6	171.5	179.8	179.2	178.6	179.1	0	112	A542 R543 L549 L550	A542-K546 WeakPolarHBondContact O-CB 3.45Å; A542-K546 PolarHBondContact O-N 2.98Å; R543-K546 WeakPolarHBondContact O-CB 3.17Å; R543-K546 PolarHBondContact O-N 2.83Å; K546-L549 PolarHBondContact O-N 2.88Å; K546-L550 HydrophobicContact CG-CD1 4.33Å; K546-L550 WeakPolarHBondContact O-CG 3.05Å; K546-L550 PolarHBondContact O-N 2.72Å
547	E	91.4	Very high	88.5	Confident	100 Å²	100	104.7 Å²	104.7	47%	0.467	51%	0.508	S	S	.	.	H	α-helix	trans	-66.7	-40.7	178.5	-170.9	162	-171.7	0	0	111.9	R543 R544 L550 A551	R543-E547 IonicContact CZ-OE2 3.79Å; R543-E547 IonicContact NE-OE2 2.88Å; R543-E547 IonicContact NH2-OE1 3.99Å; R543-E547 IonicContact NH2-OE2 3.93Å; R543-E547 PolarHBondContact NH2-OE2 3.33Å; R543-E547 VanDerWaalsContact O-CB 3.29Å; R543-E547 WeakPolarHBondContact O-CB 2.96Å; R543-E547 PolarHBondContact O-N 2.93Å; R544-E547 PolarHBondContact O-N 2.78Å; E547-L550 PolarHBondContact O-N 2.73Å; E547-A551 WeakPolarHBondContact O-CB 3.48Å; E547-A551 PolarHBondContact O-N 2.62Å
548	Q	93.9	Very high	89	Confident	144 Å²	144	106 Å²	106	67%	0.673	51%	0.507	S	S	*	.	H	α-helix	trans	-64.3	-38.9	172.3	-169.7	-178.5	28.4	0	0	112.2	R544 A551 K552	R544-Q548 VanDerWaalsContact O-CB 3.31Å; R544-Q548 WeakPolarHBondContact O-CB 3.28Å; R544-Q548 PolarHBondContact O-N 3.38Å; Q548-A551 PolarHBondContact O-N 3.22Å; Q548-K552 WeakPolarHBondContact O-CB 3.37Å; Q548-K552 PolarHBondContact O-N 2.86Å
549	L	94.4	Very high	88.9	Confident	113 Å²	113	108.6 Å²	108.6	59%	0.592	51%	0.51	S	S	*	.	H	α-helix	trans	-65.6	-41.4	173.9	-178.1	62	0	0	0	111.7	K545 K546 K552 M553	K545-L549 WeakPolarHBondContact O-CB 3.48Å; K545-L549 PolarHBondContact O-N 2.94Å; K546-L549 PolarHBondContact O-N 2.88Å; L549-K552 PolarHBondContact O-N 3.22Å; L549-M553 WeakPolarHBondContact O-CB 3.36Å; L549-M553 WeakPolarHBondContact O-CG 3.11Å; L549-M553 PolarHBondContact O-N 2.82Å
550	L	92.6	Very high	89.1	Confident	85 Å²	85	108.7 Å²	108.7	45%	0.445	51%	0.507	S	S	.	.	H	α-helix	trans	-65.4	-37.8	174.4	-72.4	168.7	0	0	0	112.2	K546 E547 M553 R554	K546-L550 HydrophobicContact CG-CD1 4.33Å; K546-L550 WeakPolarHBondContact O-CG 3.05Å; K546-L550 PolarHBondContact O-N 2.72Å; E547-L550 PolarHBondContact O-N 2.73Å; L550-M553 PolarHBondContact O-N 3.48Å; L550-R554 VanDerWaalsContact O-CG 3.3Å; L550-R554 WeakPolarHBondContact O-CG 3.24Å; L550-R554 PolarHBondContact O-N 2.94Å
551	A	91.3	Very high	88.7	Confident	51 Å²	51	109.8 Å²	109.8	42%	0.421	51%	0.512	S	S	.	.	H	α-helix	trans	-64.6	-42.1	172.3	0	0	0	0	0	111.8	E547 Q548 R554 E555	E547-A551 WeakPolarHBondContact O-CB 3.48Å; E547-A551 PolarHBondContact O-N 2.62Å; Q548-A551 PolarHBondContact O-N 3.22Å; A551-R554 PolarHBondContact O-N 3.49Å; A551-E555 WeakPolarHBondContact O-CB 3.47Å; A551-E555 PolarHBondContact O-N 3.42Å
552	K	93.4	Very high	87.9	Confident	141 Å²	141	107.6 Å²	107.6	61%	0.613	51%	0.513	S	S	*	.	H	α-helix	trans	-67.4	-35.3	176.4	-169	174.6	-177.2	179.2	0	112.6	Q548 L549 E555 I556	Q548-K552 WeakPolarHBondContact O-CB 3.37Å; Q548-K552 PolarHBondContact O-N 2.86Å; L549-K552 PolarHBondContact O-N 3.22Å; K552-E555 PolarHBondContact O-N 3.33Å; K552-I556 HydrophobicContact CG-CD1 4.28Å; K552-I556 VanDerWaalsContact O-CG1 3.31Å; K552-I556 WeakPolarHBondContact O-CG1 3.24Å; K552-I556 PolarHBondContact O-N 3.49Å
553	M	90.9	Very high	86.9	Confident	86 Å²	86	107.2 Å²	107.2	42%	0.424	51%	0.509	S	S	.	.	H	α-helix	trans	-62.3	-52.9	171.6	-81.7	-97.6	42.8	0	0	111	L549 L550 E555 I556 D557	L549-M553 WeakPolarHBondContact O-CB 3.36Å; L549-M553 WeakPolarHBondContact O-CG 3.11Å; L549-M553 PolarHBondContact O-N 2.82Å; L550-M553 PolarHBondContact O-N 3.48Å; M553-E555 PolarHBondContact O-N 2.88Å; M553-E555 VanDerWaalsContact O-N 3.16Å; M553-I556 CarbonylContact O-C 3.59Å; M553-I556 WeakPolarHBondContact O-CA 3.35Å; M553-I556 WeakPolarHBondContact O-CB 3.17Å; M553-I556 PolarHBondContact O-N 3.1Å; M553-D557 PolarHBondContact O-N 3.18Å; M553-D557 VanDerWaalsContact O-OD2 3.11Å
554	R	92.1	Very high	85.6	Confident	165 Å²	165	106 Å²	106	62%	0.623	51%	0.51	S	S	*	.	H	α-helix	trans	-56.6	-33.1	175.3	-69.6	165.1	178.8	164.7	-1.9	113	L550 A551 R558	L550-R554 VanDerWaalsContact O-CG 3.3Å; L550-R554 WeakPolarHBondContact O-CG 3.24Å; L550-R554 PolarHBondContact O-N 2.94Å; A551-R554 PolarHBondContact O-N 3.49Å; R554-R558 WeakPolarHBondContact O-CG 3.34Å; R554-R558 PolarHBondContact O-N 3.39Å
555	E	89.9	Confident	84.3	Confident	72 Å²	72	101.7 Å²	101.7	34%	0.336	50%	0.498	S	S	.	.	H	α-helix	trans	-71.4	-42.8	174.6	-179.2	55.1	-158.4	0	0	112.6	A551 K552 M553 D557 R558 Q559	A551-E555 WeakPolarHBondContact O-CB 3.47Å; A551-E555 PolarHBondContact O-N 3.42Å; K552-E555 PolarHBondContact O-N 3.33Å; M553-E555 PolarHBondContact O-N 2.88Å; M553-E555 VanDerWaalsContact O-N 3.16Å; E555-D557 VanDerWaalsContact C-N 3.29Å; E555-D557 PolarHBondContact O-N 2.87Å; E555-R558 PolarHBondContact O-N 3.45Å; E555-R558 IonicContact OE2-CZ 3.92Å; E555-R558 VanDerWaalsContact OE2-CZ 3.23Å; E555-R558 IonicContact OE2-NE 3.94Å; E555-R558 PolarHBondContact OE2-NE 3.37Å; E555-R558 IonicContact OE2-NH2 2.85Å; E555-R558 PolarHBondContact OE2-NH2 2.99Å; E555-Q559 WeakPolarHBondContact O-CG 3.41Å; E555-Q559 PolarHBondContact O-N 3.43Å; E555-Q559 PolarHBondContact OE1-NE2 3.48Å
556	I	88.1	Confident	82.6	Confident	66 Å²	66	99.2 Å²	99.2	34%	0.338	50%	0.496	S	S	.	.	H	α-helix	trans	-60.4	-41.3	171.6	-70.3	162.2	0	0	0	110.4	K552 M553 R558 Q559 N560	K552-I556 HydrophobicContact CG-CD1 4.28Å; K552-I556 VanDerWaalsContact O-CG1 3.31Å; K552-I556 WeakPolarHBondContact O-CG1 3.24Å; K552-I556 PolarHBondContact O-N 3.49Å; M553-I556 CarbonylContact O-C 3.59Å; M553-I556 WeakPolarHBondContact O-CA 3.35Å; M553-I556 WeakPolarHBondContact O-CB 3.17Å; M553-I556 PolarHBondContact O-N 3.1Å; I556-R558 PolarHBondContact O-N 3.05Å; I556-Q559 PolarHBondContact O-N 2.93Å; I556-N560 WeakPolarHBondContact CG2-ND2 3.26Å; I556-N560 WeakPolarHBondContact O-CB 3.03Å; I556-N560 VanDerWaalsContact O-CG 3.23Å; I556-N560 PolarHBondContact O-N 2.87Å; I556-N560 PolarHBondContact O-ND2 2.76Å
557	D	89.9	Confident	80.8	Confident	84 Å²	84	96.4 Å²	96.4	45%	0.449	49%	0.491	S	S	.	.	H	α-helix	trans	-62.7	-42.3	176.9	-59.1	-33.4	0	0	0	111.2	M553 E555 N560 Q561	M553-D557 PolarHBondContact O-N 3.18Å; M553-D557 VanDerWaalsContact O-OD2 3.11Å; E555-D557 VanDerWaalsContact C-N 3.29Å; E555-D557 PolarHBondContact O-N 2.87Å; D557-N560 PolarHBondContact O-N 2.96Å; D557-Q561 VanDerWaalsContact O-CB 3.32Å; D557-Q561 WeakPolarHBondContact O-CB 3.45Å; D557-Q561 PolarHBondContact O-N 2.93Å
558	R	87.3	Confident	79.1	Confident	161 Å²	161	97.4 Å²	97.4	61%	0.608	49%	0.493	S	S	*	.	H	α-helix	trans	-62.2	-42.3	172.4	-76.6	-168.9	-65.9	-136.2	5	112.9	R554 E555 I556 Q561 A562	R554-R558 WeakPolarHBondContact O-CG 3.34Å; R554-R558 PolarHBondContact O-N 3.39Å; E555-R558 PolarHBondContact O-N 3.45Å; E555-R558 IonicContact OE2-CZ 3.92Å; E555-R558 VanDerWaalsContact OE2-CZ 3.23Å; E555-R558 IonicContact OE2-NE 3.94Å; E555-R558 PolarHBondContact OE2-NE 3.37Å; E555-R558 IonicContact OE2-NH2 2.85Å; E555-R558 PolarHBondContact OE2-NH2 2.99Å; I556-R558 PolarHBondContact O-N 3.05Å; R558-Q561 PolarHBondContact O-N 2.93Å; R558-A562 WeakPolarHBondContact O-CB 3.27Å; R558-A562 PolarHBondContact O-N 2.75Å
559	Q	81.8	Confident	77.3	Confident	112 Å²	112	96.8 Å²	96.8	52%	0.523	49%	0.493	S	S	.	.	H	α-helix	trans	-67.7	-39.7	178.7	-70.3	174.6	13.6	0	0	111.6	E555 I556 A562 A563	E555-Q559 WeakPolarHBondContact O-CG 3.41Å; E555-Q559 PolarHBondContact O-N 3.43Å; E555-Q559 PolarHBondContact OE1-NE2 3.48Å; I556-Q559 PolarHBondContact O-N 2.93Å; Q559-A562 PolarHBondContact O-N 2.87Å; Q559-A563 WeakPolarHBondContact O-CB 3.28Å; Q559-A563 PolarHBondContact O-N 3.3Å
560	N	78.5	Confident	75.2	Confident	92 Å²	92	97.6 Å²	97.6	49%	0.492	50%	0.498	S	S	.	.	H	α-helix	trans	-64.7	-40.9	172.8	-72.3	-29.8	0	0	0	111.9	I556 D557 A563 Q564	I556-N560 WeakPolarHBondContact CG2-ND2 3.26Å; I556-N560 WeakPolarHBondContact O-CB 3.03Å; I556-N560 VanDerWaalsContact O-CG 3.23Å; I556-N560 PolarHBondContact O-N 2.87Å; I556-N560 PolarHBondContact O-ND2 2.76Å; D557-N560 PolarHBondContact O-N 2.96Å; N560-A563 PolarHBondContact O-N 2.99Å; N560-Q564 WeakPolarHBondContact O-CG 3.47Å; N560-Q564 PolarHBondContact O-N 3.4Å
561	Q	73.8	Confident	73.1	Confident	108 Å²	108	99.9 Å²	99.9	51%	0.505	51%	0.511	S	S	.	.	H	α-helix	trans	-61.1	-49	174.9	-170.5	66.9	51.7	0	0	110.9	D557 R558 A563 Q564 D565	D557-Q561 VanDerWaalsContact O-CB 3.32Å; D557-Q561 WeakPolarHBondContact O-CB 3.45Å; D557-Q561 PolarHBondContact O-N 2.93Å; R558-Q561 PolarHBondContact O-N 2.93Å; Q561-A563 VanDerWaalsContact C-N 3.3Å; Q561-A563 PolarHBondContact O-N 3.43Å; Q561-Q564 PolarHBondContact O-N 2.95Å; Q561-Q564 VanDerWaalsContact O-N 3.16Å; Q561-D565 PolarHBondContact NE2-OD2 3.4Å; Q561-D565 PolarHBondContact O-N 3.21Å
562	A	69.4	Low	70.9	Confident	62 Å²	62	104 Å²	104	51%	0.512	53%	0.526	S	S	.	.	H	α-helix	trans	-61.6	-35.2	176.1	0	0	0	0	0	113.1	R558 Q559 S566	R558-A562 WeakPolarHBondContact O-CB 3.27Å; R558-A562 PolarHBondContact O-N 2.75Å; Q559-A562 PolarHBondContact O-N 2.87Å; A562-S566 PolarHBondContact O-N 3.06Å
563	A	63.8	Low	68.4	Low	50 Å²	50	105.5 Å²	105.5	41%	0.413	54%	0.539	S	S	.	.	H	α-helix	trans	-69	-39.8	173.4	0	0	0	0	0	112.5	Q559 N560 Q561 S566 V567	Q559-A563 WeakPolarHBondContact O-CB 3.28Å; Q559-A563 PolarHBondContact O-N 3.3Å; N560-A563 PolarHBondContact O-N 2.99Å; Q561-A563 VanDerWaalsContact C-N 3.3Å; Q561-A563 PolarHBondContact O-N 3.43Å; A563-S566 PolarHBondContact O-OG 3.37Å; A563-V567 WeakPolarHBondContact O-CG2 3.22Å; A563-V567 PolarHBondContact O-N 2.79Å
564	Q	60.9	Low	65.5	Low	120 Å²	120	106.1 Å²	106.1	56%	0.561	56%	0.558	S	S	*	*	H	α-helix	trans	-64.8	-41.3	174.2	-73.9	-70.2	-27.2	0	0	111.9	N560 Q561 V567 K568	N560-Q564 WeakPolarHBondContact O-CG 3.47Å; N560-Q564 PolarHBondContact O-N 3.4Å; Q561-Q564 PolarHBondContact O-N 2.95Å; Q561-Q564 VanDerWaalsContact O-N 3.16Å; Q564-V567 PolarHBondContact O-N 2.84Å; Q564-K568 WeakPolarHBondContact O-CG 3.4Å; Q564-K568 PolarHBondContact O-N 3.31Å
565	D	58.8	Low	62.8	Low	63 Å²	63	103.3 Å²	103.3	34%	0.337	56%	0.563	S	S	.	*	H	α-helix	trans	-75.3	-26.1	-178.3	-65.7	-36.8	0	0	0	112.5	Q561 K568	Q561-D565 PolarHBondContact NE2-OD2 3.4Å; Q561-D565 PolarHBondContact O-N 3.21Å; D565-K568 WeakPolarHBondContact OD1-CE 3.13Å; D565-K568 IonicContact OD1-NZ 3.07Å; D565-K568 PolarHBondContact OD1-NZ 2.71Å
566	S	57.5	Low	60.8	Low	67 Å²	67	105.3 Å²	105.3	47%	0.469	58%	0.583	S	S	.	*	H	α-helix	trans	-70.7	-32.7	168.9	74.4	0	0	0	0	113.4	A562 A563	A562-S566 PolarHBondContact O-N 3.06Å; A563-S566 PolarHBondContact O-OG 3.37Å
567	V	57.9	Low	58	Low	83 Å²	83	110.1 Å²	110.1	50%	0.503	60%	0.603	S	S	.	*	H	α-helix	trans	-69.3	-36.4	175.1	171.2	0	0	0	0	111.9	A563 Q564 I569 N570	A563-V567 WeakPolarHBondContact O-CG2 3.22Å; A563-V567 PolarHBondContact O-N 2.79Å; Q564-V567 PolarHBondContact O-N 2.84Å; V567-I569 PolarHBondContact O-N 2.71Å; V567-N570 PolarHBondContact O-N 3.37Å
568	K	55.2	Low	56	Low	120 Å²	120	111.4 Å²	111.4	52%	0.522	62%	0.616	S	S	.	*	H	α-helix	trans	-63.2	-26.5	179	-71.3	171.1	-165.7	162.8	0	114.1	Q564 D565 N570	Q564-K568 WeakPolarHBondContact O-CG 3.4Å; Q564-K568 PolarHBondContact O-N 3.31Å; D565-K568 WeakPolarHBondContact OD1-CE 3.13Å; D565-K568 IonicContact OD1-NZ 3.07Å; D565-K568 PolarHBondContact OD1-NZ 2.71Å; K568-N570 VanDerWaalsContact C-N 3.33Å
569	I	55.3	Low	54.8	Low	131 Å²	131	109.2 Å²	109.2	67%	0.672	62%	0.623	S	S	*	*	H	α-helix	trans	-72	-27.8	-177.5	-68.2	169.1	0	0	0	111.9	V567	V567-I569 PolarHBondContact O-N 2.71Å
570	N	50.8	Low	52.5	Low	130 Å²	130	112.7 Å²	112.7	70%	0.695	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-9.4	-170.4	-68.7	-23.6	0	0	0	115.4	V567 K568	V567-N570 PolarHBondContact O-N 3.37Å; K568-N570 VanDerWaalsContact C-N 3.33Å
571	N	48.8	Very low	50.4	Low	133 Å²	133	116.3 Å²	116.3	71%	0.711	65%	0.653	S	S	*	*			trans	-109.8	51	-171.5	-74	-8.2	0	0	0	113.5
572	N	44.5	Very low	48.5	Very low	139 Å²	139	121.8 Å²	121.8	74%	0.743	67%	0.669	S	S	*	*			trans	-131.5	80.2	176.3	-84.2	-60.1	0	0	0	112.6
573	I	40.3	Very low	46.8	Very low	171 Å²	171	125.7 Å²	125.7	88%	0.877	68%	0.681	S	S	*	*			trans	-138.4	137.8	166.3	-61.7	-176.6	0	0	0	109.7
574	A	31.7	Very low	45.4	Very low	99 Å²	99	134.3 Å²	134.3	82%	0.818	70%	0.703	S	S	*	*			trans	76.4	128.1	170.5	0	0	0	0	0	119.8
575	S	34.7	Very low	44	Very low	106 Å²	106	134.9 Å²	134.9	74%	0.741	71%	0.71	S	S	*	*			trans	-93.2	-172.7	167.4	-129.3	0	0	0	0	109.6
576	P	48.3	Very low	43	Very low	115 Å²	115	141.4 Å²	141.4	75%	0.747	74%	0.736	S	S	*	*			cis	-140.5	160.6	15.1	39.4	-18.4	0	0	0	119.8
577	H	28	Very low	41.7	Very low	166 Å²	166	143.5 Å²	143.5	77%	0.769	75%	0.75	S	S	*	*				2.6	164.2	129.2	-85.1	-46	0	0	0	122.8
578	P	48.5	Very low	40.5	Very low	112 Å²	112	144.9 Å²	144.9	73%	0.727	76%	0.759	S	S	*	*			cis	-136.9	-127.3	-11.3	39.3	-14.5	0	0	0	114.5
579	P	62.4	Low	39.3	Very low	114 Å²	114	148.6 Å²	148.6	74%	0.74	78%	0.775	S	S	*	*			trans	-131.7	-176.1	-141.4	38.4	-12.5	0	0	0	117.5
580	E	32.5	Very low	38.1	Very low	185 Å²	185	147.8 Å²	147.8	86%	0.864	77%	0.772	S	S	*	*			trans	165.2	128.9	147.5	-93.6	176.9	-162.9	0	0	108
581	E	36	Very low	37.3	Very low	169 Å²	169	149.2 Å²	149.2	79%	0.79	77%	0.774	S	S	*	*				83.5	143.9	73.5	-100.6	-147.1	-155.9	0	0	117.7
582	R	32.5	Very low	36.7	Very low	223 Å²	223	148 Å²	148	84%	0.842	77%	0.772	S	S	*	*			trans	90.3	103.7	150.7	-138.7	169.9	-160.6	159.4	6.2	122.8
583	N	35.2	Very low	36.3	Very low	143 Å²	143	149.3 Å²	149.3	77%	0.765	77%	0.773	S	S	*	*			trans	-31.9	148.5	160.5	-48.7	-42.8	0	0	0	118.9
584	R	33.5	Very low	36	Very low	232 Å²	232	145.1 Å²	145.1	88%	0.875	76%	0.759	S	S	*	*				178.7	116.2	118.8	-98.1	164.4	-176.7	-162.3	1	117
585	N	32.7	Very low	36.4	Very low	131 Å²	131	148.9 Å²	148.9	70%	0.701	76%	0.76	S	S	*	*				47.9	116.7	123.6	-62.8	14.8	0	0	0	124.5
586	F	37.4	Very low	36.3	Very low	201 Å²	201	152.2 Å²	152.2	88%	0.882	76%	0.764	S	S	*	*				71.9	167.4	129.3	-82.7	-82.4	0	0	0	123.3
587	S	29.1	Very low	35.8	Very low	111 Å²	111	153.1 Å²	153.1	78%	0.776	77%	0.768	S	S	*	*			trans	83.6	141.7	167.7	-101.4	0	0	0	0	119
588	V	32.3	Very low	35.9	Very low	111 Å²	111	148.6 Å²	148.6	67%	0.673	77%	0.765	S	S	*	*			cis	-168.4	150.1	-21	115.8	0	0	0	0	108.6
589	F	29.9	Very low	35.1	Very low	199 Å²	199	148.5 Å²	148.5	87%	0.873	77%	0.767	S	S	*	*			trans	-171.2	152.5	133.6	-118.6	-80.3	0	0	0	111.6
590	N	31.3	Very low	33.5	Very low	113 Å²	113	151.7 Å²	151.7	60%	0.604	78%	0.775	S	S	*	*			trans	-158	145.5	-159.8	-122.5	-3.9	0	0	0	113.5
591	H	32.9	Very low	33.5	Very low	160 Å²	160	150.6 Å²	150.6	74%	0.741	77%	0.774	S	S	*	*			trans	62.3	166.2	162.8	-44.4	-47.7	0	0	0	117.1
592	T	37.2	Very low	33.2	Very low	107 Å²	107	147.6 Å²	147.6	66%	0.656	78%	0.778	S	S	*	*			cis	-124.1	-149.1	4.9	51.5	0	0	0	0	110
593	E	35.2	Very low	33	Very low	167 Å²	167	140.5 Å²	140.5	78%	0.78	77%	0.774	S	S	*	*			cis	-169.7	162.9	-11	-128.3	121	-137.9	0	0	105.4
594	S	34.8	Very low	32.7	Very low	83 Å²	83	141.6 Å²	141.6	58%	0.58	78%	0.78	S	S	*	*			cis	-161.8	159.5	-34.7	-155.7	0	0	0	0	110.8
595	E	39.3	Very low	32.9	Very low	179 Å²	179	141.7 Å²	141.7	84%	0.836	78%	0.781	S	S	*	*			trans	59.2	159.8	148.6	-77.8	150.3	151.7	0	0	122.3
596	E	32.6	Very low	32.8	Very low	175 Å²	175	144.5 Å²	144.5	82%	0.818	79%	0.79	S	S	*	*			cis	-143.9	165.9	24.1	-159.4	172.3	-162.1	0	0	115.2
597	T	38.3	Very low	32.5	Very low	135 Å²	135	140.1 Å²	140.1	83%	0.828	78%	0.775	S	S	*	*			trans	-34.6	167.3	-176.6	66.7	0	0	0	0	122
598	G	31.3	Very low	32.7	Very low	70 Å²	70	138.6 Å²	138.6	72%	0.722	78%	0.777	S	S	*	*			cis	159.7	160.1	-10	0	0	0	0	0	116.3
599	S	30.7	Very low	32.8	Very low	110 Å²	110	142 Å²	142	77%	0.769	78%	0.778	S	S	*	*			trans	54.3	130.5	157.9	-157.9	0	0	0	0	123.7
600	M	28.2	Very low	33	Very low	182 Å²	182	142.9 Å²	142.9	90%	0.897	78%	0.775	S	S	*	*				-177	169.8	117.8	-97.4	-61.7	171.9	0	0	113.2
601	L	32.9	Very low	33	Very low	162 Å²	162	148.3 Å²	148.3	85%	0.848	79%	0.787	S	S	*	*			trans	-121.4	156.1	-169.7	-85.1	163	0	0	0	113.9
602	A	30.9	Very low	33.1	Very low	106 Å²	106	148.4 Å²	148.4	88%	0.876	79%	0.788	S	S	*	*			trans	62.6	158.8	167.4	0	0	0	0	0	116.6
603	G	27.9	Very low	32.9	Very low	74 Å²	74	149.8 Å²	149.8	76%	0.763	80%	0.796	S	S	*	*			cis	143.5	133.8	-6.6	0	0	0	0	0	110.8
604	D	29	Very low	32.5	Very low	166 Å²	166	145.1 Å²	145.1	89%	0.888	79%	0.794	S	S	*	*			trans	-147	153.1	-175.8	-149.2	-15.2	0	0	0	114.1
605	R	36.6	Very low	32.6	Very low	234 Å²	234	152.3 Å²	152.3	88%	0.883	81%	0.808	S	S	*	*			trans	-161.9	119.1	-175.3	-99.9	-171.4	170.6	-168.8	0.7	111.2
606	E	31.1	Very low	32.3	Very low	190 Å²	190	155.3 Å²	155.3	89%	0.888	81%	0.812	S	S	*	*			trans	-165.5	128.2	146.3	-109.3	167.7	-163.5	0	0	106.2
607	D	31.3	Very low	32.2	Very low	109 Å²	109	150.5 Å²	150.5	58%	0.583	80%	0.802	S	S	*	*			cis	64.4	100	48.9	-158.2	10.8	0	0	0	113.9	R609	D607-R609 VanDerWaalsContact OD1-CG 3.3Å; D607-R609 WeakPolarHBondContact OD1-CG 3.35Å; D607-R609 IonicContact OD1-NE 2.64Å; D607-R609 PolarHBondContact OD1-NE 2.93Å; D607-R609 IonicContact OD2-CZ 2.71Å; D607-R609 VanDerWaalsContact OD2-CZ 3.29Å; D607-R609 IonicContact OD2-NE 2.68Å; D607-R609 PolarHBondContact OD2-NE 3.27Å; D607-R609 IonicContact OD2-NH2 3.52Å; D607-R609 PolarHBondContact OD2-NH2 2.93Å
608	G	32.5	Very low	32.1	Very low	79 Å²	79	152.6 Å²	152.6	81%	0.814	81%	0.807	S	S	*	*			trans	-145.3	124.8	177.7	0	0	0	0	0	110.1
609	R	34.9	Very low	32.1	Very low	182 Å²	182	158.4 Å²	158.4	69%	0.687	81%	0.807	S	S	*	*			trans	-119.9	143.4	-151.8	-66.2	-175.6	178.4	-168.3	1.8	116.6	D607	D607-R609 VanDerWaalsContact OD1-CG 3.3Å; D607-R609 WeakPolarHBondContact OD1-CG 3.35Å; D607-R609 IonicContact OD1-NE 2.64Å; D607-R609 PolarHBondContact OD1-NE 2.93Å; D607-R609 IonicContact OD2-CZ 2.71Å; D607-R609 VanDerWaalsContact OD2-CZ 3.29Å; D607-R609 IonicContact OD2-NE 2.68Å; D607-R609 PolarHBondContact OD2-NE 3.27Å; D607-R609 IonicContact OD2-NH2 3.52Å; D607-R609 PolarHBondContact OD2-NH2 2.93Å
610	R	34.9	Very low	32.7	Very low	218 Å²	218	159.1 Å²	159.1	82%	0.823	81%	0.809	S	S	*	*			trans	62.9	127.7	143.1	-72.8	172.3	170	-174.2	-3.3	120.8
611	R	30.7	Very low	32.9	Very low	226 Å²	226	156.5 Å²	156.5	85%	0.853	79%	0.794	S	S	*	*				-167.7	125.7	110.9	-96.9	162	-175.7	-169.1	2.7	108.1
612	Q	34.6	Very low	32.9	Very low	163 Å²	163	155 Å²	155	76%	0.762	79%	0.792	S	S	*	*				72.2	134.9	77.8	-81.9	-175.2	-23.1	0	0	114.7
613	T	32.6	Very low	33.1	Very low	135 Å²	135	155.2 Å²	155.2	83%	0.828	79%	0.787	S	S	*	*			cis	-170.9	151.6	-20	2.4	0	0	0	0	112.3
614	G	28.4	Very low	33.7	Very low	70 Å²	70	157.2 Å²	157.2	72%	0.722	79%	0.79	S	S	*	*			trans	104.2	170.6	150.6	0	0	0	0	0	118.1
615	R	36.7	Very low	33.9	Very low	233 Å²	233	156.8 Å²	156.8	88%	0.879	79%	0.787	S	S	*	*			cis	-178.8	134.8	-31.2	-121.4	-175.8	-174.4	-142.4	2	109.5
616	R	32.2	Very low	34.1	Very low	243 Å²	243	152.4 Å²	152.4	92%	0.917	78%	0.781	S	S	*	*			trans	64.6	162	165.1	-80.4	-167.7	165.4	173.2	-5.6	117.1
617	A	31.3	Very low	35.2	Very low	73 Å²	73	151 Å²	151	60%	0.603	78%	0.779	S	S	*	*			cis	-169.9	155.6	-19.6	0	0	0	0	0	114.5
618	L	34.8	Very low	35.6	Very low	179 Å²	179	150 Å²	150	94%	0.937	79%	0.786	S	S	*	*			trans	74.8	158.5	145.5	-74.1	168	0	0	0	123.3
619	R	32.3	Very low	36.2	Very low	192 Å²	192	156.6 Å²	156.6	73%	0.725	79%	0.793	S	S	*	*			trans	-88.2	164.2	-174.3	-151.8	-171	-175	178.5	1.7	111	H621	R619-H621 PolarHBondContact NE-NE2 3.15Å; R619-H621 PolarHBondContact NH1-NE2 3.24Å; R619-H621 PolarHBondContact NH2-NE2 3.2Å
620	P	43.9	Very low	36.3	Very low	125 Å²	125	151.4 Å²	151.4	81%	0.812	80%	0.795	S	S	*	*				-145.1	-164.4	94.5	38.8	-21.6	0	0	0	114.7
621	H	31	Very low	36.2	Very low	128 Å²	128	152.7 Å²	152.7	59%	0.593	80%	0.8	S	S	*	*			trans	-95.6	156	-174.2	-64.2	-135.6	0	0	0	112.5	R619	R619-H621 PolarHBondContact NE-NE2 3.15Å; R619-H621 PolarHBondContact NH1-NE2 3.24Å; R619-H621 PolarHBondContact NH2-NE2 3.2Å
622	T	32.4	Very low	36.8	Very low	130 Å²	130	153 Å²	153	80%	0.798	80%	0.803	S	S	*	*				170.2	140.6	104.8	42.8	0	0	0	0	113.8
623	S	36.3	Very low	37.1	Very low	110 Å²	110	149.6 Å²	149.6	77%	0.769	80%	0.802	S	S	*	*			trans	36.7	116.3	149.2	61.8	0	0	0	0	122.9
624	S	39.2	Very low	38	Very low	117 Å²	117	148.6 Å²	148.6	82%	0.818	80%	0.798	S	S	*	*				174.9	146.4	109.1	62.5	0	0	0	0	112.7
625	D	34.1	Very low	38.4	Very low	156 Å²	156	150.7 Å²	150.7	83%	0.834	80%	0.802	S	S	*	*			trans	-71	171.8	172.1	-41.6	-72.2	0	0	0	111.8
626	D	41.4	Very low	38.8	Very low	143 Å²	143	149.2 Å²	149.2	77%	0.765	80%	0.802	S	S	*	*			cis	-153.3	-171	7.5	-167.6	12.8	0	0	0	110.6
627	L	53.4	Low	39	Very low	160 Å²	160	141.3 Å²	141.3	84%	0.838	80%	0.796	S	S	*	*			trans	95.6	78.9	168.7	-55	-177.8	0	0	0	116.4
628	A	40.8	Very low	39.4	Very low	88 Å²	88	147.2 Å²	147.2	73%	0.727	81%	0.811	S	S	*	*			trans	-106.1	154.6	167.5	0	0	0	0	0	112.5
629	F	43.3	Very low	39.4	Very low	218 Å²	218	144.3 Å²	144.3	96%	0.956	81%	0.805	S	S	*	*			trans	-150	137.1	161.9	-97.8	-75.1	0	0	0	112.6
630	G	37	Very low	39.5	Very low	72 Å²	72	139.7 Å²	139.7	74%	0.742	81%	0.809	S	S	*	*			trans	100.9	31.7	135.7	0	0	0	0	0	121.3
631	R	34.7	Very low	39.1	Very low	245 Å²	245	138.7 Å²	138.7	93%	0.925	81%	0.805	S	S	*	*			trans	-138.8	101.6	159.2	-64.4	-166.6	109.8	-176.7	3.6	112.6
632	Y	43	Very low	39.5	Very low	234 Å²	234	144.4 Å²	144.4	92%	0.918	82%	0.821	S	S	*	*			trans	-135.3	137.9	168.3	-111.2	-87.4	0	0	0	109.9
633	A	39.9	Very low	39.6	Very low	90 Å²	90	144.1 Å²	144.1	74%	0.744	82%	0.819	S	S	*	*			trans	-138	110.8	171.2	0	0	0	0	0	107.2
634	P	51.5	Low	39.3	Very low	115 Å²	115	144.5 Å²	144.5	75%	0.747	82%	0.821	S	S	*	*			trans	-70.9	136.2	-176.7	-19.3	32.7	0	0	0	112.1	F636	P634-F636 HydrophobicContact CB-CE2 4.38Å
635	S	37.7	Very low	39.8	Very low	113 Å²	113	144.8 Å²	144.8	79%	0.79	82%	0.821	S	S	*	*			trans	-132	133.6	160.1	55.1	0	0	0	0	108.1
636	F	43.8	Very low	39.7	Very low	203 Å²	203	141 Å²	141	89%	0.89	82%	0.819	S	S	*	*			trans	-125.2	124.7	175.5	-78.1	-78.4	0	0	0	108.4	P634	P634-F636 HydrophobicContact CB-CE2 4.38Å
637	G	37.8	Very low	39.6	Very low	77 Å²	77	143.8 Å²	143.8	79%	0.794	82%	0.824	S	S	*	*			trans	-100.3	165.4	-179	0	0	0	0	0	113
638	H	38.9	Very low	39.6	Very low	197 Å²	197	141.6 Å²	141.6	91%	0.912	82%	0.819	S	S	*	*			trans	-81.8	142.9	171	-54.3	-77.2	0	0	0	111.6
639	S	34.6	Very low	40.3	Very low	117 Å²	117	143.2 Å²	143.2	82%	0.818	82%	0.823	S	S	*	*			trans	-166.2	129.1	140.1	49.1	0	0	0	0	115
640	A	34.4	Very low	40.1	Very low	96 Å²	96	137 Å²	137	79%	0.793	81%	0.812	S	S	*	*			trans	41.8	106.9	141.7	0	0	0	0	0	122.4
641	S	36.5	Very low	40.7	Very low	104 Å²	104	139.5 Å²	139.5	73%	0.727	81%	0.814	S	S	*	*			trans	-2.9	137.7	133.6	-176.2	0	0	0	0	119.7
642	R	39.5	Very low	41.8	Very low	248 Å²	248	133.2 Å²	133.2	94%	0.936	81%	0.806	S	S	*	*			trans	-138.7	156.9	148.6	-77.6	-161.9	172.7	-152.3	-2.5	111.4
643	V	33	Very low	41.7	Very low	123 Å²	123	127.7 Å²	127.7	75%	0.745	80%	0.801	S	S	*	*			trans	-110.3	151.4	-164.5	173	0	0	0	0	112.4
644	S	30.9	Very low	41.8	Very low	118 Å²	118	129.9 Å²	129.9	83%	0.825	80%	0.8	S	S	*	*			trans	-152	154	152.1	-76.9	0	0	0	0	111.4
645	P	49.8	Very low	41.3	Very low	124 Å²	124	131.2 Å²	131.2	81%	0.805	80%	0.801	S	S	*	*			trans	-125.1	161.5	-157.1	39.3	-24	0	0	0	116.8
646	G	32.4	Very low	41.4	Very low	77 Å²	77	134.4 Å²	134.4	79%	0.794	80%	0.801	S	S	*	*			trans	179.7	94.6	172.7	0	0	0	0	0	116.8
647	F	38.7	Very low	40.9	Very low	201 Å²	201	131.8 Å²	131.8	88%	0.882	80%	0.796	S	S	*	*			trans	-25.6	162.6	165.3	-81.2	-112.7	0	0	0	120.2
648	P	52.7	Low	40.9	Very low	113 Å²	113	133.8 Å²	133.8	73%	0.734	80%	0.798	S	S	*	*			cis	-142.5	-144	-30.1	47.5	-26.8	0	0	0	112.7
649	P	56.7	Low	40.5	Very low	123 Å²	123	128.6 Å²	128.6	80%	0.799	79%	0.789	S	S	*	*			trans	-136.9	-153.7	-132.8	38.9	-11.5	0	0	0	116.6
650	A	37.8	Very low	40.6	Very low	88 Å²	88	131.3 Å²	131.3	73%	0.727	79%	0.794	S	S	*	*			trans	111.8	157	157.8	0	0	0	0	0	116.9
651	P	49.9	Very low	40.9	Very low	123 Å²	123	136 Å²	136	80%	0.799	80%	0.799	S	S	*	*				-135.5	-127	-107.7	37.4	-10.7	0	0	0	115.7
652	P	57.5	Low	40.9	Very low	114 Å²	114	135.7 Å²	135.7	74%	0.74	80%	0.802	S	S	*	*			trans	-120.7	-174.4	-136.8	39.4	-18	0	0	0	115.9
653	S	42.7	Very low	40.9	Very low	117 Å²	117	132 Å²	132	82%	0.818	80%	0.799	S	S	*	*			trans	-154.1	140.6	161.2	64.5	0	0	0	0	113.7
654	D	40.4	Very low	40.8	Very low	137 Å²	137	128.9 Å²	128.9	73%	0.733	79%	0.793	S	S	*	*			trans	-100.5	165.5	-169	-37.4	-89.6	0	0	0	115.6
655	D	41.8	Very low	41.1	Very low	142 Å²	142	130.7 Å²	130.7	76%	0.759	79%	0.792	S	S	*	*			trans	10.6	138.2	152.9	-64	-20.2	0	0	0	121.2
656	K	38.9	Very low	40.4	Very low	181 Å²	181	134 Å²	134	79%	0.787	79%	0.794	S	S	*	*				-161.3	124.5	127.4	-95.5	129.8	-148.4	110	0	114
657	N	34.2	Very low	40.5	Very low	147 Å²	147	137 Å²	137	79%	0.786	79%	0.792	S	S	*	*				21.9	123.4	125.3	-55.3	-18.4	0	0	0	117.7
658	S	38.6	Very low	40.6	Very low	120 Å²	120	135.7 Å²	135.7	84%	0.839	79%	0.786	S	S	*	*				86.6	156.8	56.9	-169.1	0	0	0	0	114
659	A	28.6	Very low	40.2	Very low	88 Å²	88	136.7 Å²	136.7	73%	0.727	79%	0.785	S	S	*	*			trans	71.9	115.8	-176.7	0	0	0	0	0	118.1
660	L	38.5	Very low	39.9	Very low	174 Å²	174	140 Å²	140	91%	0.911	79%	0.787	S	S	*	*				-165.8	122.7	106.4	-102.3	168.6	0	0	0	111.3
661	E	39.6	Very low	40.5	Very low	195 Å²	195	146 Å²	146	91%	0.911	80%	0.797	S	S	*	*			trans	-98.2	127.9	167.6	-71.4	-170.6	133	0	0	110.7
662	A	36.5	Very low	40.4	Very low	96 Å²	96	144.2 Å²	144.2	79%	0.793	79%	0.787	S	S	*	*			trans	-178.4	146.5	157.9	0	0	0	0	0	106.7
663	I	39	Very low	40.3	Very low	170 Å²	170	142.3 Å²	142.3	87%	0.872	78%	0.777	S	S	*	*			cis	-133.9	152.6	8.3	-62.3	171.8	0	0	0	107.6
664	G	31.9	Very low	41.4	Very low	59 Å²	59	142.7 Å²	142.7	61%	0.608	77%	0.769	S	S	*	*			trans	-91.1	-179.7	-173.9	0	0	0	0	0	117.6
665	L	36.3	Very low	42.7	Very low	155 Å²	155	142.5 Å²	142.5	81%	0.812	77%	0.765	S	S	*	*			trans	65.3	105.2	169	-75.7	66.9	0	0	0	117.5
666	F	35	Very low	43.8	Very low	193 Å²	193	141.1 Å²	141.1	85%	0.846	75%	0.754	S	S	*	*				-164.4	178.4	93.6	-110.1	-78	0	0	0	111.2
667	N	36	Very low	45.1	Very low	140 Å²	140	140 Å²	140	75%	0.749	75%	0.752	S	S	*	*			trans	-97.3	159.4	-158.3	-74.9	-57.8	0	0	0	116
668	K	39.4	Very low	46.5	Very low	174 Å²	174	138.3 Å²	138.3	76%	0.757	74%	0.742	S	S	*	*			trans	82	127.5	150.7	-78.4	-177.7	173.5	-170.4	0	122.1
669	D	45.2	Very low	48	Very low	134 Å²	134	140.5 Å²	140.5	72%	0.717	74%	0.737	S	S	*	*				60.5	73.4	127	-47	-18.8	0	0	0	119.3
670	K	49.7	Very low	49	Very low	193 Å²	193	138.9 Å²	138.9	84%	0.839	73%	0.729	S	S	*	*			trans	-138.8	78.4	165.1	-66.9	-171.5	-179.1	179	0	113.7
671	K	49.9	Very low	49.3	Very low	215 Å²	215	134.4 Å²	134.4	94%	0.935	72%	0.716	S	S	*	*	S	Bend	trans	-137.3	0.1	165.9	-77.8	-164.1	175.3	-177.2	0	116
672	S	49.1	Very low	49.4	Very low	84 Å²	84	133.7 Å²	133.7	59%	0.587	71%	0.713	S	S	*	*	S	Bend	trans	-85.5	-28.5	176.5	46.5	0	0	0	0	114.6	L674	S672-L674 VanDerWaalsContact C-N 3.26Å; S672-L674 PolarHBondContact O-N 3.04Å
673	S	55.3	Low	49.4	Very low	75 Å²	75	135.1 Å²	135.1	52%	0.524	71%	0.712	S	S	.	*	H	α-helix	trans	-60.7	-17.4	-160.2	-165.5	0	0	0	0	117.3	Q677	S673-Q677 WeakPolarHBondContact O-CB 3.36Å; S673-Q677 PolarHBondContact O-N 3.19Å
674	L	66.1	Low	49.5	Very low	125 Å²	125	134.6 Å²	134.6	65%	0.654	71%	0.71	S	S	*	*	H	α-helix	trans	-86.5	-41.9	-172.3	-173.1	61.3	0	0	0	113.6	S672 L678	S672-L674 VanDerWaalsContact C-N 3.26Å; S672-L674 PolarHBondContact O-N 3.04Å; L674-L678 HydrophobicContact CD1-CD1 4.45Å; L674-L678 HydrophobicContact CG-CD1 4.41Å; L674-L678 WeakPolarHBondContact O-CG 3.34Å; L674-L678 PolarHBondContact O-N 3.24Å
675	M	66.3	Low	50.2	Low	133 Å²	133	137.7 Å²	137.7	66%	0.655	72%	0.719	S	S	*	*	H	α-helix	trans	-73.5	-37.3	178.5	-76	-66.4	-68.1	0	0	111.8	Q677 L678 F679	M675-Q677 VanDerWaalsContact C-N 3.33Å; M675-Q677 PolarHBondContact O-N 3.14Å; M675-L678 PolarHBondContact O-N 2.74Å; M675-F679 HydrophobicContact CE-CD2 4.15Å; M675-F679 HydrophobicContact CE-CE2 4.28Å; M675-F679 PolarHBondContact O-N 2.82Å
676	E	66.6	Low	50.2	Low	113 Å²	113	135.3 Å²	135.3	53%	0.528	72%	0.721	S	S	.	*	H	α-helix	trans	-64.2	-38.3	177.3	-168.2	166.6	-161	0	0	111.6	L678 G680	E676-L678 VanDerWaalsContact C-N 3.34Å; E676-L678 PolarHBondContact O-N 3.26Å; E676-G680 WeakPolarHBondContact O-CA 3.49Å; E676-G680 PolarHBondContact O-N 3.12Å
677	Q	64.6	Low	50	Low	158 Å²	158	129.6 Å²	129.6	74%	0.738	72%	0.717	S	S	*	*	H	α-helix	trans	-73.1	-19.9	176	-176.2	174.4	-21.4	0	0	114.1	S673 M675	S673-Q677 WeakPolarHBondContact O-CB 3.36Å; S673-Q677 PolarHBondContact O-N 3.19Å; M675-Q677 VanDerWaalsContact C-N 3.33Å; M675-Q677 PolarHBondContact O-N 3.14Å
678	L	64.3	Low	49.8	Very low	111 Å²	111	130.4 Å²	130.4	58%	0.581	72%	0.721	S	S	*	*	H	α-helix	trans	-93.2	-25.4	179.5	-75.9	169.7	0	0	0	114.1	L674 M675 E676	L674-L678 HydrophobicContact CD1-CD1 4.45Å; L674-L678 HydrophobicContact CG-CD1 4.41Å; L674-L678 WeakPolarHBondContact O-CG 3.34Å; L674-L678 PolarHBondContact O-N 3.24Å; M675-L678 PolarHBondContact O-N 2.74Å; E676-L678 VanDerWaalsContact C-N 3.34Å; E676-L678 PolarHBondContact O-N 3.26Å
679	F	70.6	Confident	49.6	Very low	166 Å²	166	126 Å²	126	73%	0.728	71%	0.713	S	S	*	*	H	α-helix	trans	-133.2	-18.1	-173.5	-63.5	-72.7	0	0	0	116	M675	M675-F679 HydrophobicContact CE-CD2 4.15Å; M675-F679 HydrophobicContact CE-CE2 4.28Å; M675-F679 PolarHBondContact O-N 2.82Å
680	G	50.2	Low	49	Very low	54 Å²	54	128.9 Å²	128.9	56%	0.557	72%	0.719	S	S	*	*			trans	74.3	139.7	178.5	0	0	0	0	0	114.7	E676	E676-G680 WeakPolarHBondContact O-CA 3.49Å; E676-G680 PolarHBondContact O-N 3.12Å
681	A	43	Very low	48.1	Very low	79 Å²	79	125.1 Å²	125.1	65%	0.653	72%	0.717	S	S	*	*			trans	-91.5	130	179.5	0	0	0	0	0	112
682	Q	43.4	Very low	47	Very low	181 Å²	181	119.2 Å²	119.2	85%	0.846	71%	0.708	S	S	*	*			trans	-121.6	104.8	168.4	-71.2	-167.2	42.2	0	0	111.9
683	T	34.8	Very low	46.2	Very low	125 Å²	125	121 Å²	121	77%	0.767	72%	0.721	S	S	*	*			trans	39.7	107.2	142.9	59.2	0	0	0	0	119.8
684	I	42.6	Very low	45	Very low	160 Å²	160	122.1 Å²	122.1	82%	0.821	73%	0.728	S	S	*	*			trans	-130.9	121.3	140.3	-58.9	176.4	0	0	0	107.6
685	P	45.3	Very low	43.5	Very low	124 Å²	124	124.8 Å²	124.8	81%	0.805	74%	0.735	S	S	*	*			trans	-81.2	137	164.5	32.6	-30.7	0	0	0	110
686	A	36.8	Very low	42	Very low	104 Å²	104	125.8 Å²	125.8	86%	0.86	74%	0.74	S	S	*	*			trans	-115.5	162.3	176.7	0	0	0	0	0	111.3
687	G	31.8	Very low	40.4	Very low	73 Å²	73	129.3 Å²	129.3	75%	0.753	75%	0.753	S	S	*	*			trans	121.5	149.1	174.4	0	0	0	0	0	113.4
688	D	30.5	Very low	38.9	Very low	158 Å²	158	125.6 Å²	125.6	85%	0.845	75%	0.749	S	S	*	*			cis	-154.5	-165.6	-15.1	-153.1	-18.4	0	0	0	110.1
689	S	36.4	Very low	37.5	Very low	82 Å²	82	127.6 Å²	127.6	57%	0.573	76%	0.76	S	S	*	*			trans	-104	168.5	-151.6	-53.6	0	0	0	0	114.8
690	F	31.7	Very low	35.5	Very low	194 Å²	194	126.8 Å²	126.8	85%	0.851	76%	0.763	S	S	*	*			trans	83.7	108.7	160.4	-58.4	-70.8	0	0	0	121.2
691	S	30.7	Very low	34.7	Very low	114 Å²	114	129.6 Å²	129.6	80%	0.797	77%	0.774	S	S	*	*				103.5	137.9	120.7	79.7	0	0	0	0	121.6
692	A	27.6	Very low	35.2	Very low	90 Å²	90	131.6 Å²	131.6	74%	0.744	78%	0.78	S	S	*	*			trans	66	104.1	140.5	0	0	0	0	0	122.2
693	S	32.2	Very low	35.4	Very low	123 Å²	123	129 Å²	129	86%	0.86	78%	0.779	S	S	*	*				96.5	151.3	121	-155.4	0	0	0	0	121.2
694	S	29.5	Very low	35.4	Very low	97 Å²	97	129 Å²	129	68%	0.678	78%	0.78	S	S	*	*			trans	74	96.7	156.3	-161.1	0	0	0	0	121.2
695	K	35.2	Very low	35	Very low	182 Å²	182	128 Å²	128	79%	0.791	78%	0.781	S	S	*	*				34.5	119.7	120.4	-76.7	173.5	175.8	173.3	0	116.5
696	M	34.7	Very low	34.5	Very low	154 Å²	154	130 Å²	130	76%	0.759	79%	0.785	S	S	*	*				173.2	167.2	68.8	-113.6	155.2	63.1	0	0	112.3
697	K	32.7	Very low	34.3	Very low	187 Å²	187	128.8 Å²	128.8	81%	0.813	78%	0.782	S	S	*	*			trans	17	150.2	146.5	-66.4	-175.1	178.8	-176.6	0	121.6
698	A	33.3	Very low	34.4	Very low	79 Å²	79	131.9 Å²	131.9	65%	0.653	79%	0.787	S	S	*	*			cis	-179.7	159.5	-13.3	0	0	0	0	0	111.6
699	L	34.2	Very low	34.4	Very low	154 Å²	154	136 Å²	136	81%	0.806	79%	0.79	S	S	*	*			trans	71.7	142.2	147.8	-75.7	168.5	0	0	0	122.8
700	N	29.8	Very low	34.2	Very low	148 Å²	148	136.9 Å²	136.9	79%	0.791	80%	0.797	S	S	*	*			trans	97.6	144.4	145	-67.8	-11.5	0	0	0	122.1
701	S	31.9	Very low	34.2	Very low	113 Å²	113	138.6 Å²	138.6	79%	0.79	80%	0.797	S	S	*	*			trans	-104.6	175.7	-165.8	-34.4	0	0	0	0	112.1
702	P	55	Low	34.4	Very low	121 Å²	121	143.7 Å²	143.7	79%	0.786	80%	0.799	S	S	*	*			trans	-92.7	170.6	-165.3	38.2	-37.2	0	0	0	114.8
703	P	47.5	Very low	34.8	Very low	127 Å²	127	146.1 Å²	146.1	83%	0.825	80%	0.8	S	S	*	*			trans	-107.6	164.4	166.2	38.7	-30.9	0	0	0	114.2
704	T	34	Very low	34.8	Very low	126 Å²	126	143.4 Å²	143.4	77%	0.773	79%	0.791	S	S	*	*			trans	-90.1	168.2	177.9	55.6	0	0	0	0	113
705	T	35	Very low	35	Very low	138 Å²	138	145.8 Å²	145.8	85%	0.847	80%	0.795	S	S	*	*			trans	-136.5	152.9	159.7	66.5	0	0	0	0	112.3
706	N	34.9	Very low	35.1	Very low	165 Å²	165	143.7 Å²	143.7	88%	0.882	79%	0.788	S	S	*	*			trans	-130.5	148.9	170.7	-80.3	-68.2	0	0	0	108.1
707	G	31.6	Very low	34.9	Very low	79 Å²	79	145.2 Å²	145.2	81%	0.814	79%	0.785	S	S	*	*			trans	174.7	126.9	170.8	0	0	0	0	0	115.4
708	V	33.5	Very low	34.8	Very low	139 Å²	139	144.6 Å²	144.6	84%	0.842	78%	0.783	S	S	*	*			trans	-130.5	133.7	-177.4	173.4	0	0	0	0	111.2
709	R	32	Very low	34.7	Very low	243 Å²	243	145.8 Å²	145.8	92%	0.917	79%	0.787	S	S	*	*			trans	164.3	154	157.6	-93.5	153.4	-177.7	-128.2	-0.9	109.6
710	S	31.2	Very low	34.9	Very low	102 Å²	102	144.4 Å²	144.4	71%	0.713	79%	0.79	S	S	*	*			cis	-174.3	167.3	-12.9	-175.1	0	0	0	0	111.7
711	R	32.4	Very low	34.9	Very low	229 Å²	229	140.3 Å²	140.3	86%	0.864	78%	0.783	S	S	*	*			trans	89.2	123	168.3	-56.2	-173.4	172.1	-143.2	-1.2	117.2
712	R	35.2	Very low	34.9	Very low	222 Å²	222	140.9 Å²	140.9	84%	0.838	79%	0.787	S	S	*	*				58.4	137.4	68.4	-71.9	-167.3	178.4	-178.4	4.9	114.1
713	D	35	Very low	33.7	Very low	141 Å²	141	140.2 Å²	140.2	75%	0.754	79%	0.785	S	S	*	*			cis	-165.7	161.1	-3.1	-106.1	-21.5	0	0	0	111.3
714	G	31.6	Very low	33	Very low	65 Å²	65	140.1 Å²	140.1	67%	0.67	78%	0.782	S	S	*	*			trans	101.6	159	154.4	0	0	0	0	0	118.2
715	L	34.2	Very low	34.1	Very low	147 Å²	147	139.7 Å²	139.7	77%	0.77	78%	0.782	S	S	*	*			cis	-162.1	130.1	-4.3	-154.5	79.3	0	0	0	113.4
716	H	36.9	Very low	35.6	Very low	139 Å²	139	139 Å²	139	64%	0.644	78%	0.779	S	S	*	*			trans	65.4	152.2	158.5	-69.1	-19.6	0	0	0	119.2
717	R	30.4	Very low	36.5	Very low	186 Å²	186	137 Å²	137	70%	0.702	78%	0.775	S	S	*	*			cis	-149.4	-162	6	-124.5	163.2	-153	-177.9	6.1	108.8
718	F	30.3	Very low	36.7	Very low	173 Å²	173	138.6 Å²	138.6	76%	0.759	77%	0.774	S	S	*	*			cis	-150.1	-134.1	11.5	-138.6	-35.2	0	0	0	113
719	S	31.5	Very low	36.8	Very low	105 Å²	105	138 Å²	138	73%	0.734	78%	0.776	S	S	*	*			trans	-160.2	172.9	-175.1	-47.1	0	0	0	0	108.9
720	S	38.9	Very low	36.8	Very low	125 Å²	125	129.3 Å²	129.3	87%	0.874	76%	0.762	S	S	*	*			cis	-160.7	-175.9	2.7	-129.4	0	0	0	0	107.8
721	G	29.8	Very low	36.9	Very low	62 Å²	62	130.7 Å²	130.7	64%	0.639	77%	0.765	S	S	*	*			cis	144.2	151.8	-2.3	0	0	0	0	0	113
722	S	31.6	Very low	37.3	Very low	125 Å²	125	127.8 Å²	127.8	87%	0.874	77%	0.765	S	S	*	*			trans	77.6	154.3	174.8	-138.6	0	0	0	0	116.9
723	S	29.5	Very low	37.3	Very low	106 Å²	106	123.4 Å²	123.4	74%	0.741	76%	0.759	S	S	*	*			cis	-151.4	-179.4	18	-165.8	0	0	0	0	114.5
724	T	33.7	Very low	37.3	Very low	126 Å²	126	126.5 Å²	126.5	77%	0.773	77%	0.765	S	S	*	*			trans	-132.2	-165.3	-173	49.3	0	0	0	0	112.1
725	P	56.4	Low	37.3	Very low	117 Å²	117	127.6 Å²	127.6	76%	0.76	77%	0.768	S	S	*	*			cis	-131	-176.4	-36.8	27.1	-4.7	0	0	0	114.9
726	P	66.8	Low	37.4	Very low	123 Å²	123	128 Å²	128	80%	0.799	77%	0.77	S	S	*	*			trans	-122.5	153.7	178.9	40.4	-28.8	0	0	0	118.6
727	P	53.8	Low	37.4	Very low	122 Å²	122	128.7 Å²	128.7	79%	0.792	78%	0.779	S	S	*	*			trans	-120.2	-178.1	171.2	41.9	-32	0	0	0	114.5
728	S	35.3	Very low	37.5	Very low	114 Å²	114	127 Å²	127	80%	0.797	79%	0.789	S	S	*	*			cis	-172.8	170.8	-33.7	65.4	0	0	0	0	112.4
729	S	36.3	Very low	37.7	Very low	127 Å²	127	123 Å²	123	89%	0.888	79%	0.787	S	S	*	*			trans	95.4	135.2	164.1	-156.5	0	0	0	0	118.9
730	G	32.7	Very low	37.7	Very low	59 Å²	59	126.2 Å²	126.2	61%	0.608	80%	0.797	S	S	*	*			cis	-163.5	139.4	-6.3	0	0	0	0	0	111.3
731	V	33.2	Very low	37.7	Very low	131 Å²	131	125.8 Å²	125.8	79%	0.794	79%	0.794	S	S	*	*				81.7	117	84.2	172.6	0	0	0	0	115.3
732	I	39.8	Very low	38.5	Very low	168 Å²	168	132.3 Å²	132.3	86%	0.862	80%	0.804	S	S	*	*			trans	-168.6	138.9	140.6	-97	155.9	0	0	0	107.8
733	D	35.3	Very low	39.4	Very low	131 Å²	131	132 Å²	132	70%	0.701	80%	0.799	S	S	*	*			trans	-115.8	150	-168.3	-58.6	-66.8	0	0	0	114.2
734	K	34.8	Very low	39.5	Very low	205 Å²	205	131.4 Å²	131.4	89%	0.891	80%	0.801	S	S	*	*				169.9	147.1	103.7	-92	174.1	-172.2	176.7	0	116.2
735	A	32.1	Very low	39.8	Very low	89 Å²	89	133.5 Å²	133.5	74%	0.736	81%	0.806	S	S	*	*			trans	81.8	99.7	149.3	0	0	0	0	0	122.3
736	L	36.9	Very low	38.9	Very low	154 Å²	154	139.7 Å²	139.7	81%	0.806	81%	0.814	S	S	*	*			trans	74.8	92	131.4	-59.6	175	0	0	0	121.5
737	N	35.6	Very low	37.6	Very low	154 Å²	154	137.3 Å²	137.3	82%	0.824	81%	0.805	S	S	*	*			trans	53.1	96.8	132.3	-60.5	0.5	0	0	0	120.5
738	V	34.5	Very low	36.9	Very low	151 Å²	151	139.3 Å²	139.3	92%	0.915	81%	0.807	S	S	*	*			trans	-123.6	147.7	137.9	177.8	0	0	0	0	107.4
739	A	32.9	Very low	37.5	Very low	88 Å²	88	139.5 Å²	139.5	73%	0.727	81%	0.805	S	S	*	*			trans	-107.3	139.1	-174.5	0	0	0	0	0	112.4
740	D	32.9	Very low	37.8	Very low	174 Å²	174	137.2 Å²	137.2	93%	0.93	79%	0.789	S	S	*	*			trans	-136.7	129.5	159.1	-93.2	-48.4	0	0	0	108.3
741	S	38.8	Very low	38.2	Very low	116 Å²	116	143.6 Å²	143.6	81%	0.811	80%	0.801	S	S	*	*			trans	-122.5	150.3	-168.5	57.5	0	0	0	0	113.4
742	K	45.3	Very low	38.9	Very low	198 Å²	198	143.8 Å²	143.8	86%	0.861	80%	0.797	S	S	*	*			trans	-75.8	157.3	179.5	-56.7	173.5	-175.6	174.3	0	110.7
743	P	51.3	Low	39.2	Very low	119 Å²	119	143 Å²	143	77%	0.773	80%	0.795	S	S	*	*				-129.4	146.1	102	36.6	-29.9	0	0	0	111.8
744	A	32.1	Very low	39.6	Very low	94 Å²	94	143.6 Å²	143.6	78%	0.777	80%	0.798	S	S	*	*			cis	76.4	106.1	39.5	0	0	0	0	0	113.2
745	I	39.6	Very low	39.9	Very low	169 Å²	169	140.8 Å²	140.8	87%	0.867	79%	0.791	S	S	*	*			trans	-123.8	128	-175.5	-62.4	171.3	0	0	0	109.9
746	R	37.5	Very low	40.8	Very low	248 Å²	248	145.1 Å²	145.1	94%	0.936	80%	0.796	S	S	*	*			trans	178.7	147.8	160.4	-102.7	167.2	176.1	-136.9	-3.2	108.5
747	A	40.1	Very low	41.2	Very low	73 Å²	73	146 Å²	146	60%	0.603	80%	0.796	S	S	*	*			cis	-175.1	157.9	-23	0	0	0	0	0	109.9
748	I	38.7	Very low	41.5	Very low	164 Å²	164	146.9 Å²	146.9	84%	0.841	80%	0.8	S	S	*	*			trans	71	153.9	155.6	-68	154.8	0	0	0	115.3
749	P	47.1	Very low	41.8	Very low	117 Å²	117	145.5 Å²	145.5	76%	0.76	79%	0.792	S	S	*	*			cis	-123.3	-177.1	4.4	26.7	-3.1	0	0	0	116.9
750	S	43	Very low	41.8	Very low	79 Å²	79	153.3 Å²	153.3	55%	0.552	82%	0.82	S	S	*	*			trans	-75.2	176.1	161.1	47.8	0	0	0	0	112
751	F	41.8	Very low	42.2	Very low	193 Å²	193	152.3 Å²	152.3	85%	0.846	82%	0.815	S	S	*	*			cis	-153.1	173.3	43.3	-89.7	-82.9	0	0	0	114.2
752	D	47.4	Very low	42.4	Very low	136 Å²	136	154.2 Å²	154.2	73%	0.727	82%	0.815	S	S	*	*			trans	-67.2	158.6	171.8	-48.4	-89.1	0	0	0	114.3
753	D	45.6	Very low	42.3	Very low	150 Å²	150	151.7 Å²	151.7	80%	0.802	81%	0.812	S	S	*	*				-175.8	170.8	111.1	-101.9	-29.1	0	0	0	111.5
754	D	43.9	Very low	41.7	Very low	144 Å²	144	153.6 Å²	153.6	77%	0.77	82%	0.815	S	S	*	*			trans	66	148.5	172.2	-60.2	-23.2	0	0	0	119.3
755	I	41.9	Very low	42.3	Very low	147 Å²	147	157.4 Å²	157.4	75%	0.754	82%	0.817	S	S	*	*			cis	-177.7	178.9	-45.5	-98.8	165.5	0	0	0	106
756	E	49.1	Very low	42.5	Very low	179 Å²	179	156.6 Å²	156.6	84%	0.836	81%	0.814	S	S	*	*			trans	72.9	107.7	-178.2	-45	-167.6	161.3	0	0	113.9
757	E	45.4	Very low	42.9	Very low	173 Å²	173	150.1 Å²	150.1	81%	0.808	81%	0.805	S	S	*	*			cis	69.2	110.9	49.7	-163.6	177.6	-155.9	0	0	114.2
758	L	41.7	Very low	43.1	Very low	172 Å²	172	156 Å²	156	90%	0.901	82%	0.82	S	S	*	*			trans	-161.8	87.6	159.7	-118.3	173	0	0	0	111
759	T	42.5	Very low	43.5	Very low	122 Å²	122	155.3 Å²	155.3	75%	0.748	82%	0.819	S	S	*	*			trans	-103	169.2	162.8	27.3	0	0	0	0	111.5
760	L	32	Very low	43.1	Very low	252 Å²	252	158.8 Å²	158.8	100%	1.319	82%	0.824	S	S	*	*			trans	-67	0	-178.8	-70.9	154.6	0	0	0	113.7

Retrieved 760 of 760 residues in 136.8 ms (Link to these results)

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