A0A087XH65_POEFO Loading...

SPARC-like 1

AlphaFold DB , UniProt , Accession A0A087XH65, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 631 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.2	Very low	38.7	Very low	240 Å²	240	165.8 Å²	165.8	100%	1.182	80%	0.804	S	S	*	*				0	158.7	0	-66.3	-179.2	179.8	0	0	108.9
2	R	37.7	Very low	38.3	Very low	233 Å²	233	157.5 Å²	157.5	88%	0.879	79%	0.793	S	S	*	*			trans	17.2	112.5	160.9	-61.4	176	-177.6	161.9	0.6	116.8
3	I	40.7	Very low	37.9	Very low	138 Å²	138	152.4 Å²	152.4	71%	0.708	79%	0.79	S	S	*	*			cis	65.1	109.3	39.8	-46.2	173.2	0	0	0	113.9	L5	I3-L5 HydrophobicContact CG2-CD1 3.55Å; I3-L5 HydrophobicContact CG2-CG 3.87Å
4	S	37.8	Very low	37.9	Very low	113 Å²	113	149.7 Å²	149.7	79%	0.79	78%	0.784	S	S	*	*				-163.8	135.3	123.4	-86.6	0	0	0	0	107
5	L	45.4	Very low	37.4	Very low	133 Å²	133	153.4 Å²	153.4	70%	0.696	79%	0.792	S	S	*	*			cis	71.7	141	37.4	-57.8	175.3	0	0	0	113.6	I3	I3-L5 HydrophobicContact CG2-CD1 3.55Å; I3-L5 HydrophobicContact CG2-CG 3.87Å
6	I	41.4	Very low	37.5	Very low	140 Å²	140	149.1 Å²	149.1	72%	0.718	79%	0.786	S	S	*	*			cis	-107.7	-146.6	0.8	-19.3	80.1	0	0	0	109.5
7	F	35	Very low	37.9	Very low	162 Å²	162	147.6 Å²	147.6	71%	0.711	79%	0.787	S	S	*	*			cis	-146.4	167.5	4.5	-126.4	-62.5	0	0	0	109.6	F9	F7-F9 HydrophobicContact CE1-CE2 4.24Å
8	I	46.5	Very low	37.3	Very low	126 Å²	126	145.9 Å²	145.9	65%	0.646	79%	0.789	S	S	*	*			trans	-137.5	147.8	173.8	-65.2	169.4	0	0	0	107.8	F10	I8-F10 HydrophobicContact CG2-CD2 3.94Å; I8-F10 HydrophobicContact CG2-CE2 3.97Å
9	F	34.1	Very low	37.3	Very low	195 Å²	195	145.1 Å²	145.1	86%	0.855	79%	0.789	S	S	*	*			trans	-140	164.4	152.5	-106.4	-80.6	0	0	0	111.4	F7	F7-F9 HydrophobicContact CE1-CE2 4.24Å
10	F	34.4	Very low	36.7	Very low	173 Å²	173	148.3 Å²	148.3	76%	0.759	80%	0.795	S	S	*	*			trans	-120.6	178.9	-153.6	-101.4	-94.6	0	0	0	114.2	I8	I8-F10 HydrophobicContact CG2-CD2 3.94Å; I8-F10 HydrophobicContact CG2-CE2 3.97Å
11	L	35.8	Very low	36.3	Very low	171 Å²	171	146.1 Å²	146.1	90%	0.895	79%	0.79	S	S	*	*			trans	84.1	148.8	166.5	-46.6	178	0	0	0	115.9
12	G	33.2	Very low	36.3	Very low	66 Å²	66	144 Å²	144	68%	0.68	77%	0.774	S	S	*	*			cis	151.2	142.9	-8.4	0	0	0	0	0	113.3
13	A	33.1	Very low	35.8	Very low	91 Å²	91	138.9 Å²	138.9	75%	0.752	77%	0.774	S	S	*	*			trans	65.4	139.4	-174.2	0	0	0	0	0	114.6
14	T	37.9	Very low	35.4	Very low	115 Å²	115	143 Å²	143	71%	0.706	78%	0.78	S	S	*	*			cis	75.1	107.3	29.6	74.2	0	0	0	0	115.9
15	F	30.8	Very low	34.7	Very low	205 Å²	205	146.1 Å²	146.1	90%	0.899	78%	0.782	S	S	*	*				168.4	142.7	122.8	-92.5	-66.5	0	0	0	111.8
16	A	38.3	Very low	34.1	Very low	84 Å²	84	147.5 Å²	147.5	69%	0.694	78%	0.783	S	S	*	*			trans	-98.1	170	157.4	0	0	0	0	0	107.7
17	P	44.9	Very low	33.5	Very low	125 Å²	125	148.6 Å²	148.6	81%	0.812	79%	0.785	S	S	*	*				-157.5	-164	58	42.5	-19.5	0	0	0	116.6
18	S	28	Very low	33	Very low	116 Å²	116	149.3 Å²	149.3	81%	0.811	79%	0.79	S	S	*	*			trans	116.5	158.6	140	-149.9	0	0	0	0	118.1
19	V	37.5	Very low	31.9	Very low	130 Å²	130	147 Å²	147	79%	0.788	80%	0.797	S	S	*	*			trans	-135.8	149.9	-158.9	179.6	0	0	0	0	110
20	K	24.6	Very low	31.5	Very low	210 Å²	210	146.5 Å²	146.5	91%	0.913	80%	0.8	S	S	*	*			trans	-151.4	152.3	152	-134.9	167.2	-173.7	175.4	0	114.1
21	C	27.1	Very low	31	Very low	102 Å²	102	147.1 Å²	147.1	69%	0.689	80%	0.797	S	S	*	*			trans	-150.4	145.9	-179.3	-174.5	0	0	0	0	109.6
22	K	37.8	Very low	30.4	Very low	197 Å²	197	145.9 Å²	145.9	86%	0.857	79%	0.787	S	S	*	*			trans	59.4	138.7	170.1	-73.8	168.8	-178.8	173.1	0	119.9
23	S	26.6	Very low	29.9	Very low	124 Å²	124	147.7 Å²	147.7	87%	0.867	79%	0.789	S	S	*	*				-137.4	167.7	121.9	64.7	0	0	0	0	109.1
24	R	32.9	Very low	29.5	Very low	224 Å²	224	147.4 Å²	147.4	85%	0.845	78%	0.781	S	S	*	*			trans	-157.2	130.8	179.7	175.9	-167	-174.6	-174.2	6.7	107.9
25	E	23.3	Very low	29	Very low	179 Å²	179	150.1 Å²	150.1	84%	0.836	79%	0.786	S	S	*	*			trans	-125.8	166.2	171.7	-154.3	96.3	-116.2	0	0	110.1
26	K	32.3	Very low	28.8	Very low	162 Å²	162	145.5 Å²	145.5	70%	0.704	78%	0.779	S	S	*	*			trans	-120.4	173.2	-179.6	-56.1	172.6	-177.8	171.5	0	109.6
27	H	28.4	Very low	28.3	Very low	163 Å²	163	144.7 Å²	144.7	76%	0.755	78%	0.779	S	S	*	*				-164.9	-177.8	111.5	-102.4	-61.7	0	0	0	112.9
28	H	25.8	Very low	27.6	Very low	178 Å²	178	145 Å²	145	82%	0.824	78%	0.778	S	S	*	*			trans	-78.8	159	-155.7	-67	-85.8	0	0	0	117.2
29	G	23.1	Very low	27.8	Very low	78 Å²	78	146.8 Å²	146.8	80%	0.804	77%	0.774	S	S	*	*			trans	-153.3	143.5	151	0	0	0	0	0	109.3
30	M	25.7	Very low	27.7	Very low	183 Å²	183	147.4 Å²	147.4	90%	0.901	77%	0.766	S	S	*	*			trans	-151.3	162.6	-171.8	-164.5	-175.5	-177.9	0	0	111.9
31	R	23.6	Very low	28	Very low	187 Å²	187	143 Å²	143	71%	0.706	75%	0.753	S	S	*	*			trans	91.7	119.8	162.3	-60.8	-170.8	91.5	-169.7	-1.8	120
32	E	23.2	Very low	28.2	Very low	145 Å²	145	143.7 Å²	143.7	68%	0.678	75%	0.753	S	S	*	*				67.9	157.4	120.8	-65.4	168.6	-161.6	0	0	124
33	S	22.8	Very low	27.8	Very low	103 Å²	103	141.2 Å²	141.2	72%	0.72	75%	0.748	S	S	*	*			trans	67.3	118.6	170.9	-149	0	0	0	0	116.3
34	S	25	Very low	28	Very low	86 Å²	86	140.1 Å²	140.1	60%	0.601	74%	0.736	S	S	*	*			cis	84.2	144.1	25.7	92.6	0	0	0	0	116.5
35	H	27.9	Very low	27.9	Very low	172 Å²	172	136.8 Å²	136.8	80%	0.796	73%	0.732	S	S	*	*			trans	72.7	150.5	-179.8	-57.9	-75.1	0	0	0	117.3
36	S	26	Very low	28.3	Very low	107 Å²	107	135.7 Å²	135.7	75%	0.748	73%	0.727	S	S	*	*			cis	-175.4	149.3	-23.2	53.1	0	0	0	0	112.3
37	G	27.8	Very low	28.3	Very low	68 Å²	68	131.3 Å²	131.3	70%	0.701	73%	0.728	S	S	*	*			trans	78.9	165.8	154.2	0	0	0	0	0	117.6
38	T	30.7	Very low	28.3	Very low	130 Å²	130	131 Å²	131	80%	0.798	73%	0.731	S	S	*	*			cis	-166.2	139	-6.8	7.5	0	0	0	0	110.5
39	E	32.5	Very low	28.7	Very low	154 Å²	154	132.2 Å²	132.2	72%	0.72	73%	0.729	S	S	*	*			trans	62.5	143	152.5	-58.1	-162.1	150.1	0	0	118.5
40	K	34.3	Very low	29.5	Very low	144 Å²	144	133.9 Å²	133.9	63%	0.626	73%	0.726	S	S	*	*			cis	-163.5	-176.2	3.3	-113.6	168.6	-171.9	144.3	0	107.7
41	D	30.8	Very low	29.6	Very low	118 Å²	118	133.4 Å²	133.4	63%	0.631	72%	0.721	S	S	*	*			cis	-153.3	151.9	5.7	-110.1	-30.2	0	0	0	106.2
42	V	31.9	Very low	29.9	Very low	116 Å²	116	130.9 Å²	130.9	70%	0.703	73%	0.726	S	S	*	*				68.9	116.6	69	176	0	0	0	0	112.1
43	I	30.3	Very low	30	Very low	144 Å²	144	129.3 Å²	129.3	74%	0.738	73%	0.731	S	S	*	*			cis	-141.4	137.4	21.1	-111.8	146.5	0	0	0	110.3
44	T	29.6	Very low	31.2	Very low	102 Å²	102	129.8 Å²	129.8	63%	0.626	73%	0.732	S	S	*	*				69	140.1	78.3	-21	0	0	0	0	113.9
45	M	30.1	Very low	31.3	Very low	153 Å²	153	131.3 Å²	131.3	75%	0.754	74%	0.738	S	S	*	*			cis	-139.3	146.8	18.9	-19.8	-169.6	63.9	0	0	111.1
46	E	33.4	Very low	31.3	Very low	157 Å²	157	130.8 Å²	130.8	73%	0.734	74%	0.74	S	S	*	*				80.2	139.8	67	-160.1	171.6	-157	0	0	113.5
47	G	30.6	Very low	31.4	Very low	70 Å²	70	129.5 Å²	129.5	72%	0.722	74%	0.736	S	S	*	*			cis	173.4	178.7	-2.4	0	0	0	0	0	109.6
48	N	28.6	Very low	31.2	Very low	155 Å²	155	132.2 Å²	132.2	83%	0.829	74%	0.739	S	S	*	*			cis	-160.5	169.3	-10.7	-151.7	-12.8	0	0	0	110.6
49	R	34.4	Very low	31.2	Very low	204 Å²	204	134 Å²	134	77%	0.77	74%	0.742	S	S	*	*			trans	-144.3	153.4	174.7	-166.9	-167.9	-165.6	-163.1	8.3	109.4
50	P	39.4	Very low	31	Very low	114 Å²	114	134.5 Å²	134.5	74%	0.74	74%	0.744	S	S	*	*			trans	-142.9	163.8	142.3	34.9	-19.3	0	0	0	115.9
51	Q	29.4	Very low	30.8	Very low	173 Å²	173	134 Å²	134	81%	0.808	75%	0.754	S	S	*	*			trans	-115.4	149.7	151.9	-78.3	-172.7	-12.1	0	0	107.9
52	V	30	Very low	30.5	Very low	134 Å²	134	132 Å²	132	81%	0.812	76%	0.76	S	S	*	*			trans	-146.1	144	169.2	-174.8	0	0	0	0	110.4
53	S	24.3	Very low	30.6	Very low	111 Å²	111	131.7 Å²	131.7	78%	0.776	76%	0.763	S	S	*	*			trans	-171.2	161.4	164.6	-82.4	0	0	0	0	108.9
54	P	49.4	Very low	30.5	Very low	114 Å²	114	133.8 Å²	133.8	74%	0.74	77%	0.77	S	S	*	*			cis	-134	-173.5	-18.8	29.3	-7.6	0	0	0	113.3
55	T	25.2	Very low	30.9	Very low	117 Å²	117	136.8 Å²	136.8	72%	0.718	78%	0.777	S	S	*	*				131.9	129.7	129.5	-50.3	0	0	0	0	117.8
56	L	29.2	Very low	31.6	Very low	162 Å²	162	135.7 Å²	135.7	85%	0.848	78%	0.781	S	S	*	*			trans	80.8	139.3	154.2	-90.5	168.5	0	0	0	124.6
57	A	27.1	Very low	31.6	Very low	79 Å²	79	136.6 Å²	136.6	65%	0.653	79%	0.785	S	S	*	*			trans	82.7	93.3	144.7	0	0	0	0	0	122.2
58	T	25.1	Very low	31.6	Very low	126 Å²	126	140.5 Å²	140.5	77%	0.773	80%	0.795	S	S	*	*				34.4	130.8	112.7	-39.6	0	0	0	0	121.3
59	I	29.8	Very low	31.8	Very low	166 Å²	166	141.8 Å²	141.8	85%	0.851	80%	0.796	S	S	*	*				-171.7	161.5	127	-99.2	158.4	0	0	0	111.6
60	E	27.4	Very low	31.6	Very low	166 Å²	166	140 Å²	140	78%	0.776	80%	0.797	S	S	*	*			trans	-92.6	154.6	-166.1	-69.3	167.7	97.9	0	0	116.4
61	T	30.8	Very low	31.2	Very low	134 Å²	134	140 Å²	140	82%	0.822	79%	0.794	S	S	*	*			trans	39.5	122.9	135.8	-45.5	0	0	0	0	121.5
62	G	24	Very low	31.2	Very low	75 Å²	75	136.7 Å²	136.7	77%	0.773	79%	0.79	S	S	*	*			trans	-161.9	143.8	161.2	0	0	0	0	0	111
63	S	33.8	Very low	31.3	Very low	110 Å²	110	136 Å²	136	77%	0.769	79%	0.791	S	S	*	*			trans	-111.1	153.5	-159.5	-52.8	0	0	0	0	116.5
64	Q	29.4	Very low	31.7	Very low	187 Å²	187	133.8 Å²	133.8	87%	0.874	79%	0.786	S	S	*	*			trans	84.9	158.7	145	-145	154.8	7.3	0	0	119.7
65	E	36.6	Very low	30.7	Very low	166 Å²	166	138.7 Å²	138.7	78%	0.776	79%	0.791	S	S	*	*			trans	-90.9	-180	-158.8	-56.3	162.6	122.2	0	0	113.5
66	P	45.3	Very low	31.1	Very low	129 Å²	129	140 Å²	140	84%	0.838	79%	0.793	S	S	*	*				-145.1	-178.6	91.9	40.1	-24	0	0	0	116.4
67	E	33.1	Very low	31.4	Very low	176 Å²	176	138 Å²	138	82%	0.822	79%	0.789	S	S	*	*			trans	-78.3	171.7	-169.1	-52.3	155.2	120.2	0	0	115.9
68	V	30.7	Very low	31.7	Very low	153 Å²	153	142.1 Å²	142.1	93%	0.927	80%	0.799	S	S	*	*			trans	-150.8	149.7	145.3	-98.4	0	0	0	0	111
69	E	32.5	Very low	32.1	Very low	182 Å²	182	139.1 Å²	139.1	85%	0.85	79%	0.787	S	S	*	*			trans	-94.9	167.9	-166.7	-55.1	169.5	107.8	0	0	114.9
70	E	31.9	Very low	32.2	Very low	167 Å²	167	138.7 Å²	138.7	78%	0.78	79%	0.787	S	S	*	*				160.2	152.6	114	-94.1	-91.6	72.6	0	0	117
71	V	29.4	Very low	32.5	Very low	112 Å²	112	138.1 Å²	138.1	68%	0.679	78%	0.782	S	S	*	*			trans	64.6	80.4	154.5	-179.3	0	0	0	0	121.8
72	S	30.1	Very low	32.6	Very low	105 Å²	105	139.6 Å²	139.6	73%	0.734	78%	0.78	S	S	*	*				7.1	135.9	120.5	-167.8	0	0	0	0	122.7
73	S	33	Very low	32.9	Very low	120 Å²	120	140 Å²	140	84%	0.839	78%	0.783	S	S	*	*				155.7	146.6	103	57.4	0	0	0	0	116.1
74	G	31.8	Very low	32.8	Very low	64 Å²	64	143.5 Å²	143.5	66%	0.66	79%	0.787	S	S	*	*			trans	138.6	93.9	153.9	0	0	0	0	0	121.9
75	Y	29.1	Very low	32.8	Very low	216 Å²	216	142.4 Å²	142.4	85%	0.847	78%	0.782	S	S	*	*			trans	53.3	111.8	144.4	73.8	-92.9	0	0	0	125.5
76	D	33	Very low	32.6	Very low	144 Å²	144	139.7 Å²	139.7	77%	0.77	78%	0.777	S	S	*	*				61.9	91.9	114.4	-50.9	-15	0	0	0	124.7
77	T	36.3	Very low	31.8	Very low	122 Å²	122	141.7 Å²	141.7	75%	0.748	78%	0.781	S	S	*	*				19.1	133.5	126.5	59.7	0	0	0	0	123.5
78	N	31.7	Very low	32	Very low	164 Å²	164	141.7 Å²	141.7	88%	0.877	78%	0.781	S	S	*	*			trans	175.2	157.2	131.4	-94.6	-58	0	0	0	110.2
79	A	34.2	Very low	32	Very low	63 Å²	63	142.8 Å²	142.8	52%	0.521	78%	0.776	S	S	.	*			cis	-171.8	142.5	-36.8	0	0	0	0	0	110.2
80	N	32.2	Very low	32	Very low	158 Å²	158	139.8 Å²	139.8	85%	0.845	76%	0.764	S	S	*	*			trans	69.9	154.4	174.8	-47.4	-57.2	0	0	0	116
81	K	34.6	Very low	32	Very low	154 Å²	154	141.3 Å²	141.3	67%	0.67	77%	0.771	S	S	*	*			cis	-156.1	139.6	10.6	-149.5	172.1	-172.9	-71.5	0	112.4
82	E	32.2	Very low	32.3	Very low	165 Å²	165	144.8 Å²	144.8	77%	0.771	78%	0.777	S	S	*	*			trans	40.8	121.8	152	-72.7	148.4	-145	0	0	122.1
83	G	29.5	Very low	32.4	Very low	82 Å²	82	148.5 Å²	148.5	85%	0.845	79%	0.788	S	S	*	*			trans	159.8	104.1	159.7	0	0	0	0	0	115.5
84	E	31.5	Very low	32.4	Very low	184 Å²	184	148.6 Å²	148.6	86%	0.86	78%	0.784	S	S	*	*			trans	-74.8	164.9	165.3	-76.7	157.5	119.5	0	0	110.8
85	E	30.4	Very low	32.5	Very low	164 Å²	164	150.3 Å²	150.3	77%	0.766	79%	0.791	S	S	*	*			cis	-160	166.3	16.8	-141.8	-178.5	176.9	0	0	111.6
86	V	31.4	Very low	32.9	Very low	109 Å²	109	145.9 Å²	145.9	66%	0.661	79%	0.787	S	S	*	*			trans	46.9	124.2	162.2	-166.7	0	0	0	0	121.2	E88	V86-E88 HydrophobicContact CG1-CG 4.32Å
87	D	29.1	Very low	33.1	Very low	172 Å²	172	147 Å²	147	92%	0.92	79%	0.792	S	S	*	*			trans	-124.1	137.5	146.8	-90.9	-49.9	0	0	0	109.1
88	E	36.3	Very low	33.5	Very low	176 Å²	176	147.7 Å²	147.7	82%	0.822	79%	0.79	S	S	*	*			trans	-112.2	128.1	168.2	-69.8	-173.3	133	0	0	109.6	V86	V86-E88 HydrophobicContact CG1-CG 4.32Å
89	E	31.3	Very low	34.7	Very low	176 Å²	176	143.4 Å²	143.4	82%	0.822	77%	0.773	S	S	*	*			trans	-157.8	138.3	151.9	-108.5	-153.4	147.5	0	0	114.7
90	I	32.3	Very low	35.5	Very low	119 Å²	119	148.3 Å²	148.3	61%	0.61	79%	0.785	S	S	*	*			trans	55.4	113.1	150.1	-52.4	164.9	0	0	0	119.2
91	E	33.2	Very low	36.6	Very low	198 Å²	198	147.3 Å²	147.3	93%	0.925	78%	0.775	S	S	*	*			trans	-125.4	157.3	136.2	-78.8	-149.2	127	0	0	111.5
92	K	34	Very low	37.5	Very low	185 Å²	185	145.8 Å²	145.8	80%	0.804	77%	0.77	S	S	*	*			trans	-98.6	124.6	-173.7	-67.4	171.4	-177.7	165.9	0	111.6	T94	K92-T94 PolarHBondContact O-N 2.66Å
93	L	32.5	Very low	38.3	Very low	183 Å²	183	144 Å²	144	96%	0.958	77%	0.766	S	S	*	*			trans	-62.9	120.6	165.9	-73.2	171.5	0	0	0	110.5
94	T	32.6	Very low	39.3	Very low	123 Å²	123	144.7 Å²	144.7	76%	0.755	75%	0.753	S	S	*	*			trans	-107	135	171.1	-57.5	0	0	0	0	108.3	K92	K92-T94 PolarHBondContact O-N 2.66Å
95	A	33.8	Very low	40.1	Very low	99 Å²	99	138.3 Å²	138.3	82%	0.818	74%	0.737	S	S	*	*			trans	-73	132.2	-176.7	0	0	0	0	0	111.6
96	V	38	Very low	40.8	Very low	124 Å²	124	137.9 Å²	137.9	75%	0.752	74%	0.739	S	S	*	*			trans	-108.8	137.9	172.6	178.6	0	0	0	0	108.5
97	L	36.7	Very low	41.4	Very low	167 Å²	167	139.7 Å²	139.7	87%	0.874	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-98.3	132.5	171.7	-63.1	172.4	0	0	0	108.4
98	L	46.6	Very low	42.1	Very low	137 Å²	137	137 Å²	137	72%	0.717	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-84.5	155.4	176.3	-57.1	178.2	0	0	0	110.7
99	S	56.6	Low	42.4	Very low	73 Å²	73	137.9 Å²	137.9	51%	0.51	74%	0.738	S	S	.	*	P	Polyproline II helix	trans	-93.4	172.1	-177.7	69.2	0	0	0	0	113	E101	S99-E101 WeakPolarHBondContact CB-OE2 3.3Å; S99-E101 PolarHBondContact O-N 2.92Å; S99-E101 PolarHBondContact OG-OE2 2.72Å
100	E	50.3	Low	42.9	Very low	167 Å²	167	133.1 Å²	133.1	78%	0.78	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-17.7	-167	-154.6	163.5	178.5	0	0	113
101	E	54.8	Low	43.1	Very low	136 Å²	136	131.3 Å²	131.3	64%	0.636	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-33.6	-178.4	-60	79.4	-173	0	0	113.9	S99 L103 V104	S99-E101 WeakPolarHBondContact CB-OE2 3.3Å; S99-E101 PolarHBondContact O-N 2.92Å; S99-E101 PolarHBondContact OG-OE2 2.72Å; E101-L103 VanDerWaalsContact C-N 3.27Å; E101-L103 PolarHBondContact O-N 2.78Å; E101-V104 PolarHBondContact O-N 2.94Å
102	E	55	Low	43	Very low	122 Å²	122	130.2 Å²	130.2	57%	0.57	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-21.1	179.8	-70.9	-168	132.7	0	0	112.7	V104	E102-V104 VanDerWaalsContact C-N 3.29Å; E102-V104 PolarHBondContact O-N 3.32Å
103	L	49.2	Very low	43.1	Very low	129 Å²	129	129.7 Å²	129.7	68%	0.675	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-20.6	-179.5	-160.2	69.2	0	0	0	112.9	E101	E101-L103 VanDerWaalsContact C-N 3.27Å; E101-L103 PolarHBondContact O-N 2.78Å
104	V	50.7	Low	42.9	Very low	96 Å²	96	129 Å²	129	58%	0.582	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-30.1	-178.2	-176.7	0	0	0	0	111.9	E101 E102 L106 L107	E101-V104 PolarHBondContact O-N 2.94Å; E102-V104 VanDerWaalsContact C-N 3.29Å; E102-V104 PolarHBondContact O-N 3.32Å; V104-L106 VanDerWaalsContact C-N 3.27Å; V104-L106 PolarHBondContact O-N 3.16Å; V104-L107 PolarHBondContact O-N 3.4Å
105	G	47.2	Very low	42.9	Very low	50 Å²	50	131.8 Å²	131.8	52%	0.515	74%	0.736	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.6	-18.6	-176.9	0	0	0	0	0	115.4
106	L	45.8	Very low	42.7	Very low	154 Å²	154	135.5 Å²	135.5	81%	0.806	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	5.6	-179.7	-67.8	175.2	0	0	0	113.9	V104	V104-L106 VanDerWaalsContact C-N 3.27Å; V104-L106 PolarHBondContact O-N 3.16Å
107	L	43.6	Very low	42.5	Very low	147 Å²	147	133.9 Å²	133.9	77%	0.77	74%	0.736	S	S	*	*	S	Bend	trans	-113	3.8	-178.7	-68.5	173.7	0	0	0	113.9	V104	V104-L107 PolarHBondContact O-N 3.4Å
108	T	44.7	Very low	42.3	Very low	115 Å²	115	134.1 Å²	134.1	71%	0.706	73%	0.733	S	S	*	*	S	Bend	trans	-116.8	14.6	-174.3	53.2	0	0	0	0	114.5
109	E	42.2	Very low	41.7	Very low	195 Å²	195	135.3 Å²	135.3	91%	0.911	74%	0.735	S	S	*	*	S	Bend	trans	-123.5	29.5	-177.8	-150.4	174.2	-134.4	0	0	112
110	G	41.3	Very low	40.3	Very low	76 Å²	76	138.4 Å²	138.4	78%	0.784	75%	0.751	S	S	*	*	S	Bend	trans	-153.2	28.5	-168	0	0	0	0	0	116.6
111	A	36.2	Very low	39.5	Very low	81 Å²	81	138.9 Å²	138.9	67%	0.669	75%	0.753	S	S	*	*			trans	-151.3	148.7	171.3	0	0	0	0	0	110.4
112	E	31.7	Very low	38.3	Very low	175 Å²	175	139.7 Å²	139.7	82%	0.818	76%	0.762	S	S	*	*			trans	66.6	139.4	174	-65.1	152.7	-149.5	0	0	114.4
113	E	35.2	Very low	37.2	Very low	174 Å²	174	142 Å²	142	81%	0.813	77%	0.772	S	S	*	*			cis	-160.9	-159.3	-4.3	-124.2	170.2	-170.2	0	0	109.9
114	D	29.5	Very low	36.2	Very low	169 Å²	169	142.2 Å²	142.2	90%	0.904	78%	0.778	S	S	*	*			trans	92.7	156.7	-169.3	-70.3	-27	0	0	0	116.4
115	E	31.4	Very low	35.1	Very low	182 Å²	182	142.6 Å²	142.6	85%	0.85	78%	0.781	S	S	*	*			trans	-155.5	-171.7	-145.2	-107.3	-78.4	26.7	0	0	113.8
116	E	29.8	Very low	34.3	Very low	177 Å²	177	148.6 Å²	148.6	83%	0.827	80%	0.798	S	S	*	*			trans	81	121.3	171.9	-56.3	-169.5	154.7	0	0	115.5
117	A	33.7	Very low	33.7	Very low	89 Å²	89	148.3 Å²	148.3	74%	0.736	79%	0.794	S	S	*	*				89.9	144.9	50.2	0	0	0	0	0	113.1
118	E	33.3	Very low	33.1	Very low	172 Å²	172	147.7 Å²	147.7	80%	0.804	79%	0.792	S	S	*	*			cis	-154.5	178.1	-1.5	-138.3	179.1	-173.7	0	0	112.1
119	E	32.9	Very low	32.6	Very low	163 Å²	163	149 Å²	149	76%	0.762	79%	0.79	S	S	*	*			trans	41.7	124.3	159.9	-60.3	-164.1	140.8	0	0	122.7
120	T	28.8	Very low	32	Very low	138 Å²	138	149.4 Å²	149.4	85%	0.847	79%	0.789	S	S	*	*				-165.7	146.1	108.7	12.1	0	0	0	0	114.3
121	E	33.6	Very low	31.5	Very low	177 Å²	177	153.8 Å²	153.8	83%	0.827	79%	0.786	S	S	*	*			trans	-36.3	149.7	173.3	-58.1	162.8	158.1	0	0	115
122	D	28.8	Very low	31.4	Very low	153 Å²	153	153.9 Å²	153.9	82%	0.818	79%	0.787	S	S	*	*				-171.2	166.4	61.9	-146.1	-13.2	0	0	0	114.5
123	E	32.2	Very low	31.3	Very low	170 Å²	170	152.2 Å²	152.2	79%	0.794	78%	0.784	S	S	*	*			trans	-108.2	120.6	178.2	179.1	-165.9	-157.2	0	0	112.3
124	V	28	Very low	30.9	Very low	133 Å²	133	151 Å²	151	81%	0.806	78%	0.783	S	S	*	*			trans	-142.4	133	165.9	-169.7	0	0	0	0	113.1
125	T	28.1	Very low	31.3	Very low	104 Å²	104	147.2 Å²	147.2	64%	0.638	77%	0.77	S	S	*	*			trans	-111.7	175.5	169	55	0	0	0	0	111.4
126	M	29.7	Very low	31.4	Very low	176 Å²	176	143.3 Å²	143.3	87%	0.867	76%	0.762	S	S	*	*			trans	92.1	171.2	165.8	-57.1	-64.9	-166.3	0	0	119.1
127	M	32.5	Very low	31.6	Very low	149 Å²	149	143.3 Å²	143.3	73%	0.734	76%	0.762	S	S	*	*			trans	-109.1	-179.3	-155.2	-60.8	156.3	48.4	0	0	113.2
128	D	31.6	Very low	31.4	Very low	134 Å²	134	143.7 Å²	143.7	72%	0.717	77%	0.766	S	S	*	*			trans	99	124.9	142.4	-65.1	-33.1	0	0	0	123.9
129	E	33.3	Very low	31.2	Very low	142 Å²	142	141.2 Å²	141.2	66%	0.664	76%	0.762	S	S	*	*			trans	39.7	123	142.3	-61.5	-148.4	136	0	0	124.2
130	K	29.3	Very low	31	Very low	203 Å²	203	142.1 Å²	142.1	88%	0.883	76%	0.764	S	S	*	*				-160.9	137.9	114.7	-97	139.9	-171.5	163.6	0	109.4
131	K	31.1	Very low	30.8	Very low	168 Å²	168	142.6 Å²	142.6	73%	0.73	76%	0.758	S	S	*	*			cis	77.6	122.3	25.4	-156.6	176.4	-169.6	161	0	112.9
132	A	34.4	Very low	30.6	Very low	84 Å²	84	141.4 Å²	141.4	69%	0.694	76%	0.756	S	S	*	*			cis	-157	-152.8	-8.2	0	0	0	0	0	107.7
133	N	30.9	Very low	30.4	Very low	140 Å²	140	141.8 Å²	141.8	75%	0.749	75%	0.75	S	S	*	*			cis	-168.7	138.7	12.5	-176	88.3	0	0	0	111.2
134	D	25.5	Very low	30.2	Very low	147 Å²	147	142.5 Å²	142.5	79%	0.786	75%	0.753	S	S	*	*			trans	-152	171.6	141.2	-142.6	-19.7	0	0	0	113.4
135	S	37.7	Very low	30.1	Very low	90 Å²	90	143.1 Å²	143.1	63%	0.629	75%	0.747	S	S	*	*			trans	-109.7	-175.8	-161.4	68.7	0	0	0	0	112.7
136	S	35.1	Very low	29.9	Very low	100 Å²	100	142.7 Å²	142.7	70%	0.699	75%	0.754	S	S	*	*			cis	-153.6	139.6	3.8	2	0	0	0	0	112.9
137	E	32.7	Very low	29.8	Very low	177 Å²	177	143.6 Å²	143.6	83%	0.827	75%	0.753	S	S	*	*				34	126.9	128.5	-169.7	171.3	-162.7	0	0	123.4
138	A	29.5	Very low	29.5	Very low	97 Å²	97	141.8 Å²	141.8	80%	0.802	75%	0.75	S	S	*	*			trans	-176.7	99	130.6	0	0	0	0	0	116.3
139	V	28.9	Very low	29.2	Very low	121 Å²	121	142.7 Å²	142.7	73%	0.733	75%	0.748	S	S	*	*			trans	0.7	128.6	151.1	-155.3	0	0	0	0	120.9
140	K	28.5	Very low	28.9	Very low	182 Å²	182	141.3 Å²	141.3	79%	0.791	75%	0.745	S	S	*	*				174.7	135	114.2	-95.6	178.5	-177.1	170.1	0	118.8
141	M	25.9	Very low	28.8	Very low	148 Å²	148	137.7 Å²	137.7	73%	0.729	74%	0.736	S	S	*	*			trans	58.1	113.5	141.4	-60.5	-55.4	-164.7	0	0	123.1
142	I	27.8	Very low	28.6	Very low	152 Å²	152	134.2 Å²	134.2	78%	0.779	73%	0.732	S	S	*	*				31.8	118.9	107.9	-54.8	174.2	0	0	0	117
143	K	25.8	Very low	28.3	Very low	161 Å²	161	138.6 Å²	138.6	70%	0.7	74%	0.738	S	S	*	*				-165.5	117	108.8	-168.8	153.4	178.3	139.5	0	114.8	E145	K143-E145 VanDerWaalsContact CE-OE2 3.26Å; K143-E145 WeakPolarHBondContact CE-OE2 3.26Å; K143-E145 IonicContact NZ-OE2 3.02Å; K143-E145 PolarHBondContact NZ-OE2 3.02Å
144	H	26.7	Very low	28	Very low	184 Å²	184	139 Å²	139	85%	0.852	74%	0.736	S	S	*	*			trans	-84.8	154.7	149.5	-114.5	-99.8	0	0	0	109
145	E	26.5	Very low	28	Very low	147 Å²	147	138.6 Å²	138.6	69%	0.687	73%	0.727	S	S	*	*			trans	122.5	109.3	171.9	-72.2	170.4	161.3	0	0	110.8	K143	K143-E145 VanDerWaalsContact CE-OE2 3.26Å; K143-E145 WeakPolarHBondContact CE-OE2 3.26Å; K143-E145 IonicContact NZ-OE2 3.02Å; K143-E145 PolarHBondContact NZ-OE2 3.02Å
146	A	24.9	Very low	27.5	Very low	94 Å²	94	140.1 Å²	140.1	78%	0.777	72%	0.724	S	S	*	*				86.8	114.4	56.1	0	0	0	0	0	113.7
147	K	27.6	Very low	27.2	Very low	195 Å²	195	140 Å²	140	85%	0.848	73%	0.729	S	S	*	*			trans	-129.6	107.3	145.5	-101.1	-162	171.1	-174.2	0	106.1
148	T	26.6	Very low	26.9	Very low	111 Å²	111	138.8 Å²	138.8	68%	0.681	72%	0.721	S	S	*	*				66.4	137.1	93.6	59.6	0	0	0	0	113.4
149	K	25.3	Very low	27	Very low	154 Å²	154	137.7 Å²	137.7	67%	0.67	71%	0.712	S	S	*	*			cis	172.3	157.7	-17.1	-140.1	177.5	145.6	-78	0	104
150	D	26	Very low	27	Very low	112 Å²	112	140.8 Å²	140.8	60%	0.599	72%	0.716	S	S	*	*			trans	66.3	144.9	162	-48	-25.6	0	0	0	113.5
151	D	27.3	Very low	27	Very low	128 Å²	128	135.7 Å²	135.7	68%	0.684	71%	0.707	S	S	*	*			cis	-147.1	155.6	-11.2	-113.5	-45.1	0	0	0	106.5
152	S	26.4	Very low	27	Very low	95 Å²	95	138.6 Å²	138.6	66%	0.664	72%	0.716	S	S	*	*				38.6	136.2	87.9	89.7	0	0	0	0	114.5
153	E	27.5	Very low	26.9	Very low	175 Å²	175	135 Å²	135	82%	0.818	71%	0.709	S	S	*	*			cis	-135.2	165	12.5	-76.8	-173.7	126.3	0	0	110.1
154	E	25.3	Very low	26.9	Very low	148 Å²	148	136.7 Å²	136.7	69%	0.692	72%	0.719	S	S	*	*				32.5	146	84.7	-69.3	-145.8	169.8	0	0	115.8
155	K	25.5	Very low	26.9	Very low	139 Å²	139	137.2 Å²	137.2	60%	0.604	72%	0.719	S	S	*	*			cis	-165.8	171.9	-14.3	-120	-172.4	-162.3	133.7	0	109.3
156	E	28	Very low	27.3	Very low	123 Å²	123	136 Å²	136	58%	0.575	72%	0.724	S	S	*	*			trans	14	128.2	147.6	-58.4	-175.1	108.1	0	0	121.8	K158	E156-K158 HydrophobicContact CB-CG 4.32Å; E156-K158 IonicContact OE1-NZ 2.72Å; E156-K158 VanDerWaalsContact OE2-CE 3.3Å; E156-K158 WeakPolarHBondContact OE2-CE 3.4Å; E156-K158 IonicContact OE2-NZ 2.66Å; E156-K158 PolarHBondContact OE2-NZ 2.95Å
157	A	27.9	Very low	27.2	Very low	97 Å²	97	135.9 Å²	135.9	80%	0.802	72%	0.723	S	S	*	*				-126.2	129.2	111.6	0	0	0	0	0	107.7
158	K	27.1	Very low	27.5	Very low	152 Å²	152	134.8 Å²	134.8	66%	0.661	73%	0.725	S	S	*	*				68	135	51.7	-69.6	-175.6	-179.8	120.7	0	113.4	E156	E156-K158 HydrophobicContact CB-CG 4.32Å; E156-K158 IonicContact OE1-NZ 2.72Å; E156-K158 VanDerWaalsContact OE2-CE 3.3Å; E156-K158 WeakPolarHBondContact OE2-CE 3.4Å; E156-K158 IonicContact OE2-NZ 2.66Å; E156-K158 PolarHBondContact OE2-NZ 2.95Å
159	A	30.7	Very low	27.5	Very low	73 Å²	73	138 Å²	138	60%	0.603	73%	0.729	S	S	*	*			cis	-170.3	165.7	-12.6	0	0	0	0	0	111.6
160	K	28.8	Very low	27.5	Very low	187 Å²	187	137.3 Å²	137.3	81%	0.813	73%	0.732	S	S	*	*			trans	65.8	157.4	148.6	-74.3	163.1	177.9	179.1	0	117.7
161	A	29.6	Very low	27.5	Very low	75 Å²	75	137 Å²	137	62%	0.62	74%	0.735	S	S	*	*			cis	-170.5	161.9	-23.6	0	0	0	0	0	110.5
162	K	25	Very low	27.4	Very low	208 Å²	208	137.8 Å²	137.8	90%	0.904	73%	0.734	S	S	*	*			trans	66.9	148.5	158.4	-75	175.3	178.8	-175.1	0	115.9
163	A	25.7	Very low	27.5	Very low	78 Å²	78	143.1 Å²	143.1	65%	0.645	74%	0.74	S	S	*	*			cis	-155.3	-176	-14	0	0	0	0	0	109.9
164	E	25.7	Very low	27.5	Very low	195 Å²	195	139.9 Å²	139.9	91%	0.911	74%	0.737	S	S	*	*			trans	70.5	126.7	159.4	-62.9	-174.9	132	0	0	119.9
165	K	28.5	Very low	27.6	Very low	196 Å²	196	136.2 Å²	136.2	85%	0.852	74%	0.738	S	S	*	*			trans	-74.3	155.6	150.1	-74.6	-179.2	178.8	-179.2	0	107.1
166	P	34.5	Very low	27.8	Very low	120 Å²	120	138 Å²	138	78%	0.779	75%	0.749	S	S	*	*				-156.6	-173.8	51.4	43.8	-22.3	0	0	0	118.6
167	A	22.8	Very low	27.7	Very low	92 Å²	92	138.6 Å²	138.6	76%	0.76	76%	0.76	S	S	*	*			trans	55.5	107.3	144.7	0	0	0	0	0	120.1
168	I	33	Very low	27.7	Very low	172 Å²	172	137.5 Å²	137.5	88%	0.882	76%	0.759	S	S	*	*			trans	-76	134	152.8	-62	167.4	0	0	0	109
169	K	26.3	Very low	27.6	Very low	179 Å²	179	137.3 Å²	137.3	78%	0.778	76%	0.764	S	S	*	*			trans	-152.9	135.6	157	-106.9	-171.2	174.9	-174.1	0	110.1
170	L	26.5	Very low	27.7	Very low	139 Å²	139	140.2 Å²	140.2	73%	0.728	77%	0.769	S	S	*	*			trans	43	142.4	134.8	-60.2	168.9	0	0	0	119
171	T	25.2	Very low	27.9	Very low	106 Å²	106	139.2 Å²	139.2	65%	0.65	77%	0.767	S	S	*	*			cis	-163.5	169.1	24.1	-11.6	0	0	0	0	109.9
172	E	26.4	Very low	27.9	Very low	145 Å²	145	143.2 Å²	143.2	68%	0.678	77%	0.772	S	S	*	*			trans	28.6	155.5	140.3	-70	-175.8	-142.9	0	0	122.8
173	R	28.7	Very low	28.2	Very low	207 Å²	207	138.9 Å²	138.9	78%	0.781	76%	0.764	S	S	*	*			cis	-167.9	160.2	22.9	-145.1	176.2	160.7	98.4	-6.8	113.8
174	S	26.1	Very low	28.5	Very low	107 Å²	107	143.5 Å²	143.5	75%	0.748	77%	0.772	S	S	*	*			trans	77.8	152	138.9	-143.2	0	0	0	0	123.8
175	G	26.8	Very low	28.4	Very low	70 Å²	70	139.4 Å²	139.4	72%	0.722	77%	0.765	S	S	*	*			trans	89.8	104.6	164.6	0	0	0	0	0	116.3
176	Q	30.3	Very low	28.5	Very low	178 Å²	178	134.3 Å²	134.3	83%	0.832	75%	0.754	S	S	*	*			cis	110.7	138.3	14.1	-162.8	-175.1	-3.2	0	0	113.4
177	V	27.3	Very low	28.6	Very low	135 Å²	135	133.6 Å²	133.6	82%	0.818	75%	0.747	S	S	*	*			trans	72.7	131.4	-178.9	-163.9	0	0	0	0	113.4
178	G	27.3	Very low	29.3	Very low	74 Å²	74	137.3 Å²	137.3	76%	0.763	75%	0.749	S	S	*	*			cis	-176.3	-158.6	2.2	0	0	0	0	0	109.1
179	L	25.1	Very low	29.7	Very low	148 Å²	148	132.9 Å²	132.9	78%	0.775	73%	0.733	S	S	*	*			cis	-174.7	135.3	-8.9	169.1	59.7	0	0	0	108.8
180	L	31.4	Very low	30	Very low	134 Å²	134	132 Å²	132	70%	0.702	73%	0.732	S	S	*	*			trans	67.1	129.2	177.4	-60	166	0	0	0	116.1
181	E	33	Very low	30.8	Very low	165 Å²	165	132.3 Å²	132.3	77%	0.771	73%	0.734	S	S	*	*			cis	88.3	150	45.1	-69.1	-175.8	169.1	0	0	113.2
182	E	31.3	Very low	31.6	Very low	159 Å²	159	133 Å²	133	74%	0.743	74%	0.74	S	S	*	*			cis	-137.6	147.9	22.1	-82.1	-172.3	110.4	0	0	114.7
183	T	29.8	Very low	32.1	Very low	118 Å²	118	131.7 Å²	131.7	72%	0.724	74%	0.742	S	S	*	*			trans	53.1	167.4	132.6	72.9	0	0	0	0	122.7
184	E	32.9	Very low	32.1	Very low	174 Å²	174	128.9 Å²	128.9	81%	0.813	75%	0.748	S	S	*	*			cis	-127.8	134	4	-77.2	-176.4	178.9	0	0	110.5
185	S	24.2	Very low	32.6	Very low	110 Å²	110	131.1 Å²	131.1	77%	0.769	75%	0.751	S	S	*	*				79.5	141.6	97.3	-147.6	0	0	0	0	115.2
186	S	29.6	Very low	32.7	Very low	89 Å²	89	134.3 Å²	134.3	62%	0.622	75%	0.751	S	S	*	*			cis	-151.7	137.5	18.6	-154.9	0	0	0	0	113.2
187	T	37.4	Very low	32.8	Very low	104 Å²	104	130.8 Å²	130.8	64%	0.638	75%	0.746	S	S	*	*			trans	43.6	144.9	132.5	61.4	0	0	0	0	121.2
188	E	37.3	Very low	32.8	Very low	171 Å²	171	129.6 Å²	129.6	80%	0.799	75%	0.75	S	S	*	*			cis	-175.5	165.2	9.6	-109.4	163.4	-128.8	0	0	107.4
189	S	41.8	Very low	33.2	Very low	78 Å²	78	130.8 Å²	130.8	55%	0.545	75%	0.753	S	S	.	*			cis	-160	166.1	-19.9	-137.7	0	0	0	0	112.7
190	E	32.2	Very low	33.5	Very low	161 Å²	161	131.3 Å²	131.3	75%	0.752	76%	0.757	S	S	*	*			trans	35.9	127.1	139.5	-65.2	159.7	137.8	0	0	122.3
191	L	42.2	Very low	33.7	Very low	145 Å²	145	130.4 Å²	130.4	76%	0.759	76%	0.762	S	S	*	*			cis	72.6	153.8	47.6	-57.9	-173.5	0	0	0	114	V193	L191-V193 HydrophobicContact CD2-CG2 4.02Å
192	P	42.6	Very low	33.8	Very low	121 Å²	121	125.8 Å²	125.8	79%	0.786	76%	0.758	S	S	*	*			cis	-112	163.5	9.3	22.2	0.7	0	0	0	113.9
193	V	37.2	Very low	34	Very low	117 Å²	117	126.1 Å²	126.1	71%	0.709	76%	0.763	S	S	*	*			cis	74.7	104.4	46	-177.1	0	0	0	0	115.3	L191	L191-V193 HydrophobicContact CD2-CG2 4.02Å
194	T	29	Very low	34	Very low	149 Å²	149	128.5 Å²	128.5	91%	0.914	77%	0.771	S	S	*	*			trans	-145.9	152.1	135.2	41.8	0	0	0	0	109.6
195	L	35.8	Very low	34	Very low	154 Å²	154	127.1 Å²	127.1	81%	0.806	77%	0.768	S	S	*	*			trans	-126.6	134.2	-176.9	-179.3	98.8	0	0	0	108
196	D	28.7	Very low	34.6	Very low	137 Å²	137	127.9 Å²	127.9	73%	0.733	77%	0.77	S	S	*	*				-172.7	134.7	129.3	-113.5	-42.1	0	0	0	116.8
197	S	31.8	Very low	34.6	Very low	104 Å²	104	128.5 Å²	128.5	73%	0.727	78%	0.78	S	S	*	*			trans	41.9	150.4	130.8	-64.6	0	0	0	0	126.2
198	A	28.5	Very low	34.6	Very low	109 Å²	109	132.7 Å²	132.7	90%	0.901	79%	0.792	S	S	*	*			trans	85.8	164.9	154.9	0	0	0	0	0	118.7
199	A	35.5	Very low	34.4	Very low	100 Å²	100	130.6 Å²	130.6	83%	0.826	79%	0.791	S	S	*	*			trans	-152.5	176.8	-158.9	0	0	0	0	0	113.2
200	D	32	Very low	33.6	Very low	159 Å²	159	134.3 Å²	134.3	85%	0.85	80%	0.8	S	S	*	*			trans	82.6	163.6	165.9	-156.6	22	0	0	0	117.9
201	S	35	Very low	33.3	Very low	115 Å²	115	132.6 Å²	132.6	80%	0.804	81%	0.805	S	S	*	*			trans	74.2	130.4	-173.3	-55.2	0	0	0	0	116
202	G	35.1	Very low	32.7	Very low	68 Å²	68	133.9 Å²	133.9	70%	0.701	81%	0.808	S	S	*	*			trans	-140.1	-156.2	178.2	0	0	0	0	0	112.5
203	I	35.5	Very low	32	Very low	165 Å²	165	135 Å²	135	85%	0.846	81%	0.807	S	S	*	*			trans	73.8	115.2	-176.3	-52.5	171.5	0	0	0	114.2
204	L	29.3	Very low	31.5	Very low	168 Å²	168	137.3 Å²	137.3	88%	0.88	81%	0.814	S	S	*	*				-162.6	161.8	122.1	-106.8	173.2	0	0	0	111.8
205	I	34.3	Very low	31.5	Very low	146 Å²	146	140.6 Å²	140.6	75%	0.749	81%	0.812	S	S	*	*			trans	-105.8	139.6	-174.8	-61.4	167.5	0	0	0	108.7
206	P	36.9	Very low	31.6	Very low	126 Å²	126	139 Å²	139	82%	0.818	81%	0.811	S	S	*	*			trans	-78.2	134.5	171.9	31.7	-33.3	0	0	0	111.8
207	A	28.3	Very low	31.5	Very low	101 Å²	101	137.4 Å²	137.4	84%	0.835	81%	0.81	S	S	*	*			trans	-115.9	164.3	168.4	0	0	0	0	0	110.4
208	Q	38.4	Very low	31.2	Very low	192 Å²	192	138.7 Å²	138.7	90%	0.897	81%	0.814	S	S	*	*			trans	-99.9	156.6	-169.8	-64.6	-177.3	-30.3	0	0	114
209	V	31.5	Very low	31.1	Very low	128 Å²	128	141 Å²	141	78%	0.776	81%	0.806	S	S	*	*			trans	-153.1	153.7	159.2	-115.4	0	0	0	0	106.4
210	E	26.5	Very low	30.6	Very low	156 Å²	156	142 Å²	142	73%	0.729	80%	0.798	S	S	*	*			cis	-154.2	157.2	9	-157.4	143.9	-123.6	0	0	110.6
211	S	25.3	Very low	30.4	Very low	124 Å²	124	141.5 Å²	141.5	87%	0.867	79%	0.79	S	S	*	*			trans	-166.1	120.7	162.5	-73.3	0	0	0	0	109.9
212	E	30.1	Very low	30	Very low	173 Å²	173	143.6 Å²	143.6	81%	0.808	79%	0.787	S	S	*	*			trans	-122	143.1	172.5	-65.8	-163.8	111	0	0	110.6
213	D	26.7	Very low	29.6	Very low	143 Å²	143	145.1 Å²	145.1	77%	0.765	79%	0.787	S	S	*	*				-176.3	119.4	116.3	-108.4	-32.4	0	0	0	113.9
214	L	28.5	Very low	29.1	Very low	166 Å²	166	142.6 Å²	142.6	87%	0.869	78%	0.784	S	S	*	*			trans	40	141.7	144.3	-65.8	164.9	0	0	0	124.7
215	Y	27.1	Very low	29	Very low	218 Å²	218	138.7 Å²	138.7	86%	0.855	77%	0.771	S	S	*	*			trans	-96	168.4	177.9	-96.1	-90.1	0	0	0	114.1
216	P	38.5	Very low	28.9	Very low	121 Å²	121	139.7 Å²	139.7	79%	0.786	77%	0.77	S	S	*	*				-141.2	166.8	109.7	37.7	-24.6	0	0	0	117.5
217	S	26.8	Very low	28.5	Very low	104 Å²	104	142.8 Å²	142.8	73%	0.727	77%	0.765	S	S	*	*			trans	-62.2	170	-179.8	-40.4	0	0	0	0	116.1
218	T	25.2	Very low	28.5	Very low	131 Å²	131	144 Å²	144	80%	0.804	76%	0.757	S	S	*	*			cis	-170.4	173.1	-2.3	10.7	0	0	0	0	111.8
219	E	25.9	Very low	28.1	Very low	156 Å²	156	141.8 Å²	141.8	73%	0.729	75%	0.751	S	S	*	*			trans	115	122.5	144.8	-68.5	-144.6	97	0	0	121.2
220	N	25.6	Very low	28	Very low	123 Å²	123	143.2 Å²	143.2	66%	0.658	75%	0.75	S	S	*	*			trans	64.5	153.6	145	-54.7	-29.5	0	0	0	119.6
221	Q	28.3	Very low	28.1	Very low	148 Å²	148	142.4 Å²	142.4	69%	0.692	75%	0.75	S	S	*	*			cis	-154.9	153.9	10.7	-152.1	166.6	-42.9	0	0	112.7
222	E	25.9	Very low	28.2	Very low	158 Å²	158	141.8 Å²	141.8	74%	0.738	74%	0.741	S	S	*	*			trans	56.6	170	158.4	-81.3	158.3	-144.6	0	0	120.3
223	S	26.8	Very low	28.1	Very low	100 Å²	100	142.3 Å²	142.3	70%	0.699	74%	0.741	S	S	*	*			cis	172.2	168.6	-39.4	78.8	0	0	0	0	105.9
224	S	24.9	Very low	28	Very low	112 Å²	112	143 Å²	143	78%	0.783	74%	0.737	S	S	*	*			cis	-138.4	-115.9	3.7	62.1	0	0	0	0	111.4
225	S	27.9	Very low	28	Very low	87 Å²	87	142 Å²	142	61%	0.608	73%	0.728	S	S	*	*			trans	-173.7	177.7	-178.7	56.9	0	0	0	0	113.9
226	K	32.4	Very low	27.9	Very low	167 Å²	167	139.4 Å²	139.4	73%	0.726	73%	0.726	S	S	*	*			trans	84.2	164.3	159.5	-65.2	164.1	-174.2	172.2	0	118.3
227	R	27.7	Very low	27.4	Very low	191 Å²	191	136.7 Å²	136.7	72%	0.721	72%	0.719	S	S	*	*			cis	-177.4	152	-39.3	-143.4	-167.8	-77.8	153.1	-10.5	109
228	D	27.9	Very low	27.7	Very low	125 Å²	125	138.9 Å²	138.9	67%	0.668	72%	0.718	S	S	*	*			trans	46.5	136.1	158.7	-49.5	-37.2	0	0	0	122.6
229	L	30.7	Very low	28.1	Very low	146 Å²	146	138.9 Å²	138.9	76%	0.764	71%	0.707	S	S	*	*				163.9	134	102.9	-142.3	74.4	0	0	0	116.7
230	Q	30.3	Very low	28.3	Very low	159 Å²	159	138.1 Å²	138.1	74%	0.743	70%	0.703	S	S	*	*			trans	32.6	125.1	143.8	-71.9	174.2	-13.3	0	0	127.7
231	D	28.6	Very low	28.4	Very low	138 Å²	138	139.1 Å²	139.1	74%	0.738	71%	0.708	S	S	*	*				77.6	148.3	120.2	-90.5	-58.5	0	0	0	129.7
232	T	27	Very low	28.5	Very low	111 Å²	111	138 Å²	138	68%	0.681	71%	0.706	S	S	*	*			trans	92.7	130.4	153.5	69.8	0	0	0	0	125
233	K	27.4	Very low	28.6	Very low	184 Å²	184	136.8 Å²	136.8	80%	0.8	70%	0.702	S	S	*	*			trans	66.2	141.3	150.2	-69	166.5	-176.1	173.6	0	117.7
234	K	25.3	Very low	28.8	Very low	158 Å²	158	138.5 Å²	138.5	69%	0.687	70%	0.699	S	S	*	*			cis	72	131.4	47.1	-68.4	-175.9	157.6	-76.7	0	112.8
235	E	27.3	Very low	29	Very low	145 Å²	145	141.4 Å²	141.4	68%	0.678	69%	0.694	S	S	*	*			cis	-164	178.2	-4.8	-118.1	149.5	-171.6	0	0	108.1
236	M	24.6	Very low	29.3	Very low	164 Å²	164	145.6 Å²	145.6	81%	0.808	71%	0.706	S	S	*	*			cis	-119.4	-136.2	23.1	-143.8	-171.4	-60.9	0	0	112.5	E238	M236-E238 HydrophobicContact SD-CG 4.46Å
237	G	28.1	Very low	29.6	Very low	63 Å²	63	143 Å²	143	65%	0.649	71%	0.706	S	S	*	*			cis	90.8	138	10.6	0	0	0	0	0	113.1
238	E	33.7	Very low	29.6	Very low	151 Å²	151	139.5 Å²	139.5	71%	0.706	71%	0.711	S	S	*	*			cis	-130.5	-150.6	2	-58	-170.9	87.6	0	0	110.4	M236	M236-E238 HydrophobicContact SD-CG 4.46Å
239	K	34.1	Very low	30.4	Very low	131 Å²	131	138.6 Å²	138.6	57%	0.57	71%	0.712	S	S	*	*			cis	-162.6	150	2.2	-145.2	175.7	-179.5	66.5	0	112.1
240	E	28.7	Very low	30.2	Very low	139 Å²	139	140.5 Å²	140.5	65%	0.65	72%	0.717	S	S	*	*			trans	49.6	-180	170.5	-89.8	65.4	108.9	0	0	116.8
241	L	28.9	Very low	30.2	Very low	144 Å²	144	137.2 Å²	137.2	75%	0.754	72%	0.717	S	S	*	*			cis	-137.1	135.1	-11.4	-158.2	70.3	0	0	0	105.2
242	L	30.3	Very low	30	Very low	125 Å²	125	134.3 Å²	134.3	65%	0.654	72%	0.719	S	S	*	*				64.2	130.1	64.2	-97.6	73.2	0	0	0	115.6
243	M	28.8	Very low	30	Very low	133 Å²	133	137.4 Å²	137.4	66%	0.655	73%	0.732	S	S	*	*			cis	-154.2	132.3	4.2	-157.2	158	81.1	0	0	108.3	Y245	M243-Y245 HydrophobicContact CE-CD2 4.42Å; M243-Y245 HydrophobicContact CE-CE2 4.36Å; M243-Y245 HydrophobicContact CG-CD2 4.02Å; M243-Y245 HydrophobicContact CG-CE2 3.9Å; M243-Y245 HydrophobicContact SD-CD2 4.46Å; M243-Y245 HydrophobicContact SD-CE2 3.99Å
244	Q	30.5	Very low	30.1	Very low	136 Å²	136	138.8 Å²	138.8	64%	0.636	73%	0.732	S	S	*	*				61.7	131	74.4	-138.6	-179.9	-12	0	0	111.9
245	Y	28.7	Very low	30.3	Very low	173 Å²	173	139.4 Å²	139.4	68%	0.678	74%	0.737	S	S	*	*				-164.2	164.6	66.1	-100.7	-89	0	0	0	116.3	M243	M243-Y245 HydrophobicContact CE-CD2 4.42Å; M243-Y245 HydrophobicContact CE-CE2 4.36Å; M243-Y245 HydrophobicContact CG-CD2 4.02Å; M243-Y245 HydrophobicContact CG-CE2 3.9Å; M243-Y245 HydrophobicContact SD-CD2 4.46Å; M243-Y245 HydrophobicContact SD-CE2 3.99Å
246	M	33.2	Very low	30.3	Very low	175 Å²	175	140 Å²	140	86%	0.862	74%	0.74	S	S	*	*			trans	-114.6	146	156.6	-98.9	-79.3	-136.5	0	0	108.5
247	P	39.1	Very low	30.4	Very low	111 Å²	111	141.4 Å²	141.4	72%	0.721	75%	0.747	S	S	*	*			trans	-132.8	146.5	165.2	37.5	-23.2	0	0	0	116
248	S	29.3	Very low	30.5	Very low	119 Å²	119	143 Å²	143	83%	0.832	74%	0.744	S	S	*	*			trans	-131.9	145.6	140.7	-52.9	0	0	0	0	105.6
249	P	43.9	Very low	30.2	Very low	105 Å²	105	142.1 Å²	142.1	68%	0.682	75%	0.745	S	S	*	*				-155	-171.7	100.6	43.2	-25.8	0	0	0	114.5
250	E	26.7	Very low	30.2	Very low	187 Å²	187	143.5 Å²	143.5	87%	0.874	75%	0.753	S	S	*	*			trans	66.3	163.1	159.4	-69.4	176.3	-152.9	0	0	118.2
251	A	29.1	Very low	30.4	Very low	89 Å²	89	141 Å²	141	74%	0.736	75%	0.75	S	S	*	*			cis	-164.9	127.3	-40.8	0	0	0	0	0	110.3
252	G	25.1	Very low	30.4	Very low	77 Å²	77	142.9 Å²	142.9	79%	0.794	75%	0.753	S	S	*	*			trans	67.8	127.9	158.4	0	0	0	0	0	119
253	D	27.1	Very low	30.3	Very low	176 Å²	176	143 Å²	143	94%	0.941	75%	0.754	S	S	*	*				-155.8	-172	119.5	-130.4	-33.7	0	0	0	111.5
254	R	29.3	Very low	30.4	Very low	214 Å²	214	141.2 Å²	141.2	81%	0.808	75%	0.754	S	S	*	*			trans	-130.1	173.2	-158.8	-171.5	179	166.4	172	-5.1	113.4
255	E	30.3	Very low	30.2	Very low	170 Å²	170	139.4 Å²	139.4	79%	0.794	76%	0.757	S	S	*	*			trans	84.5	140.9	169.2	-56	-174.2	175.4	0	0	115.3
256	E	26.3	Very low	30.1	Very low	157 Å²	157	137 Å²	137	73%	0.734	76%	0.76	S	S	*	*			cis	-151.7	142.6	-21	176.6	172	-139.1	0	0	109.2	T258	E256-T258 HydrophobicContact CG-CG2 4.09Å; E256-T258 WeakPolarHBondContact OE1-CG2 3.26Å
257	M	27.4	Very low	29.8	Very low	194 Å²	194	137.7 Å²	137.7	96%	0.956	76%	0.759	S	S	*	*			trans	-149	120.8	160.2	-157.1	175	-164.8	0	0	109.1
258	T	29.3	Very low	29.2	Very low	97 Å²	97	137.8 Å²	137.8	60%	0.595	76%	0.762	S	S	*	*			trans	-102.4	142	-167.2	31.6	0	0	0	0	113.1	E256	E256-T258 HydrophobicContact CG-CG2 4.09Å; E256-T258 WeakPolarHBondContact OE1-CG2 3.26Å
259	D	28.6	Very low	29.2	Very low	133 Å²	133	140.4 Å²	140.4	71%	0.711	76%	0.758	S	S	*	*			trans	54	150.4	149.8	-75.4	-1.2	0	0	0	120.1
260	Q	33.4	Very low	28.3	Very low	160 Å²	160	142.9 Å²	142.9	75%	0.748	76%	0.761	S	S	*	*			cis	-161.7	164.3	-2.6	-109.2	165.5	57.4	0	0	104.9
261	S	32.2	Very low	28.4	Very low	85 Å²	85	142.3 Å²	142.3	59%	0.594	76%	0.755	S	S	*	*			cis	-172.4	154.2	-29	61.1	0	0	0	0	108.7
262	K	29.7	Very low	28.4	Very low	185 Å²	185	146.2 Å²	146.2	80%	0.804	76%	0.758	S	S	*	*			trans	65.7	154.8	154.6	-72.2	-176.6	167.4	-176.2	0	118.7
263	D	27.6	Very low	28.5	Very low	128 Å²	128	146.4 Å²	146.4	68%	0.684	75%	0.752	S	S	*	*			cis	-155	178.6	-8.3	-131.2	-45.6	0	0	0	112.7
264	S	30.8	Very low	28.5	Very low	94 Å²	94	144 Å²	144	66%	0.657	74%	0.743	S	S	*	*			trans	73	76.2	154.1	66.7	0	0	0	0	121
265	S	26.6	Very low	28.3	Very low	98 Å²	98	139.7 Å²	139.7	69%	0.685	74%	0.741	S	S	*	*				18.6	134.9	122.2	62.3	0	0	0	0	122.9
266	T	27.4	Very low	28.1	Very low	123 Å²	123	139.4 Å²	139.4	76%	0.755	75%	0.745	S	S	*	*			trans	75.4	105.5	135.1	51.8	0	0	0	0	123.5
267	K	25.9	Very low	28.2	Very low	190 Å²	190	138.6 Å²	138.6	83%	0.826	74%	0.739	S	S	*	*				56.9	114.8	108	-169.1	-176.2	-175.8	179.4	0	119
268	S	27.3	Very low	28.6	Very low	112 Å²	112	135 Å²	135	78%	0.783	73%	0.73	S	S	*	*				-172.2	163.4	109	-82.9	0	0	0	0	115.8
269	K	28.3	Very low	28.8	Very low	175 Å²	175	137.3 Å²	137.3	76%	0.761	73%	0.734	S	S	*	*			trans	-50.9	170.7	164	-67.8	166.8	130.2	-143.3	0	112.6
270	E	26.4	Very low	28.8	Very low	157 Å²	157	137.3 Å²	137.3	73%	0.734	73%	0.73	S	S	*	*			cis	-158.2	-168.8	35	-159	129.4	-128	0	0	114.1
271	K	28.7	Very low	28.5	Very low	174 Å²	174	135.5 Å²	135.5	76%	0.757	73%	0.73	S	S	*	*			trans	-105.9	144.9	-177.4	-57.1	174	-179.7	179.8	0	111.8
272	H	29	Very low	28.6	Very low	172 Å²	172	136.5 Å²	136.5	80%	0.796	73%	0.732	S	S	*	*				161.6	135.2	112.1	-96.6	-80.4	0	0	0	116
273	A	27.8	Very low	28.4	Very low	80 Å²	80	134.7 Å²	134.7	66%	0.661	73%	0.731	S	S	*	*			trans	65.9	116.3	134.7	0	0	0	0	0	124.4
274	V	26.4	Very low	28.5	Very low	127 Å²	127	138.3 Å²	138.3	77%	0.77	74%	0.735	S	S	*	*				82.2	108.1	123.9	176.6	0	0	0	0	121
275	T	25	Very low	28.6	Very low	123 Å²	123	140.3 Å²	140.3	76%	0.755	74%	0.738	S	S	*	*			trans	39.8	130.9	148.4	61.2	0	0	0	0	123.1
276	D	26.5	Very low	28.9	Very low	164 Å²	164	144.6 Å²	144.6	88%	0.877	74%	0.739	S	S	*	*				-156.1	179.6	102.5	-134.5	-38.8	0	0	0	114.1
277	K	28.7	Very low	29	Very low	139 Å²	139	147.8 Å²	147.8	60%	0.604	74%	0.737	S	S	*	*			trans	-89.5	174.4	-169	-122.5	-176.1	179.2	-174.8	0	114.8	E279	K277-E279 HydrophobicContact CD-CG 4Å; K277-E279 IonicContact NZ-OE1 3.9Å; K277-E279 PolarHBondContact NZ-OE1 3.5Å
278	P	35.1	Very low	29.2	Very low	120 Å²	120	142.4 Å²	142.4	78%	0.779	72%	0.723	S	S	*	*			cis	-121.9	155.7	46.1	22.9	-0.4	0	0	0	114.7
279	E	32.6	Very low	29.3	Very low	144 Å²	144	144.9 Å²	144.9	67%	0.673	72%	0.722	S	S	*	*				78.3	137.5	62	-98.5	177.3	-144.4	0	0	116.3	K277	K277-E279 HydrophobicContact CD-CG 4Å; K277-E279 IonicContact NZ-OE1 3.9Å; K277-E279 PolarHBondContact NZ-OE1 3.5Å
280	E	29.2	Very low	29.3	Very low	134 Å²	134	144.7 Å²	144.7	63%	0.626	72%	0.722	S	S	*	*			cis	-88.7	-121.1	21.5	-158.8	-162	89	0	0	116.8	V282	E280-V282 PolarHBondContact OE1-N 3.43Å
281	T	27.2	Very low	29.5	Very low	122 Å²	122	144.5 Å²	144.5	75%	0.748	72%	0.721	S	S	*	*			cis	-147.6	149.3	10	-49.7	0	0	0	0	112.7
282	V	34	Very low	29.6	Very low	105 Å²	105	144.7 Å²	144.7	64%	0.636	73%	0.725	S	S	*	*			trans	-57.9	156.7	173	-78.7	0	0	0	0	115.9	E280	E280-V282 PolarHBondContact OE1-N 3.43Å
283	D	25.3	Very low	29.6	Very low	147 Å²	147	139.6 Å²	139.6	79%	0.786	72%	0.719	S	S	*	*			cis	-145.5	-173.2	10.5	-140.3	-33.7	0	0	0	115.6
284	R	30	Very low	29.8	Very low	205 Å²	205	144.4 Å²	144.4	77%	0.774	72%	0.724	S	S	*	*			trans	-139.9	136.2	-158.9	-90.2	-179.5	154.7	-175.5	0.6	117.9
285	L	33.4	Very low	29.9	Very low	135 Å²	135	143.9 Å²	143.9	71%	0.707	72%	0.717	S	S	*	*				55.9	176.3	125.3	-54.3	177.3	0	0	0	119.9
286	R	31.6	Very low	30.2	Very low	188 Å²	188	147 Å²	147	71%	0.709	72%	0.723	S	S	*	*			cis	-171.3	167.2	1.1	-135.1	174.6	-179.4	-177.1	1.5	113.1
287	R	30.1	Very low	30.1	Very low	191 Å²	191	144.2 Å²	144.2	72%	0.721	72%	0.717	S	S	*	*			trans	66	170.7	144	-82.8	-155.2	160	164.7	-10.7	120.6
288	S	29.7	Very low	30	Very low	76 Å²	76	144.1 Å²	144.1	53%	0.531	72%	0.723	S	S	.	*			cis	-177.2	155.1	-31.5	-98.6	0	0	0	0	111.7
289	E	29.6	Very low	29.6	Very low	164 Å²	164	143.1 Å²	143.1	77%	0.766	72%	0.719	S	S	*	*			trans	64.5	163.6	149.7	-72.7	150.6	171.2	0	0	118.4
290	K	29.6	Very low	29.2	Very low	171 Å²	171	140 Å²	140	74%	0.743	73%	0.725	S	S	*	*			cis	-169	-177.5	-24.6	179	173.2	168.7	-82.4	0	108.2
291	E	29.5	Very low	29.2	Very low	153 Å²	153	137.9 Å²	137.9	72%	0.715	73%	0.731	S	S	*	*			trans	108.2	-177.4	161.6	-51.6	-71.5	92.6	0	0	118.6
292	E	30.5	Very low	29.3	Very low	179 Å²	179	141.3 Å²	141.3	84%	0.836	74%	0.735	S	S	*	*			trans	-158.1	159.5	-130.8	-165.9	161.1	-106.9	0	0	116.9
293	G	30.6	Very low	29.1	Very low	65 Å²	65	140.3 Å²	140.3	67%	0.67	73%	0.733	S	S	*	*			trans	142.7	132.6	175.4	0	0	0	0	0	113.2
294	K	30.4	Very low	29.4	Very low	180 Å²	180	141 Å²	141	78%	0.783	73%	0.729	S	S	*	*				72.4	134.3	60.7	-76.7	-164.6	144.2	-70.9	0	114.4
295	D	29.1	Very low	29.4	Very low	116 Å²	116	142 Å²	142	62%	0.62	73%	0.733	S	S	*	*			cis	-158.4	161.4	1.2	-91	-37.9	0	0	0	113
296	E	30.7	Very low	29.3	Very low	189 Å²	189	144.3 Å²	144.3	88%	0.883	74%	0.737	S	S	*	*			trans	64.2	175	148.1	-72.9	-166.9	154.7	0	0	125.7
297	S	25.9	Very low	29.2	Very low	105 Å²	105	140.5 Å²	140.5	73%	0.734	74%	0.735	S	S	*	*			trans	-94.1	-172.5	-156.1	51.8	0	0	0	0	115.3
298	D	25.3	Very low	29.2	Very low	138 Å²	138	141.1 Å²	141.1	74%	0.738	74%	0.737	S	S	*	*			cis	-163.5	166.8	27.4	-172	37.3	0	0	0	116.4
299	S	27.3	Very low	29.2	Very low	99 Å²	99	145.6 Å²	145.6	69%	0.692	75%	0.747	S	S	*	*			trans	22	142.6	157.8	72.4	0	0	0	0	127.4
300	G	24.5	Very low	29.2	Very low	78 Å²	78	146 Å²	146	80%	0.804	75%	0.749	S	S	*	*			trans	107	156	139.2	0	0	0	0	0	118.9
301	A	29.9	Very low	29.2	Very low	90 Å²	90	146.9 Å²	146.9	74%	0.744	75%	0.753	S	S	*	*			cis	-170.8	129.2	-23.2	0	0	0	0	0	111.9
302	F	28.2	Very low	29	Very low	194 Å²	194	148 Å²	148	85%	0.851	76%	0.755	S	S	*	*			trans	39.7	131.8	156.7	-68.5	-82	0	0	0	122.3
303	S	29.8	Very low	28.9	Very low	84 Å²	84	145.8 Å²	145.8	59%	0.587	75%	0.749	S	S	*	*				179	137.6	86.4	-86.4	0	0	0	0	116.9
304	K	31.5	Very low	28.8	Very low	161 Å²	161	152.7 Å²	152.7	70%	0.7	76%	0.761	S	S	*	*			trans	53.4	127.7	132.4	-64	156.7	-167.6	139.7	0	118.3
305	R	29.3	Very low	28.9	Very low	226 Å²	226	155.5 Å²	155.5	85%	0.853	77%	0.767	S	S	*	*			cis	-160.3	-160.5	30.7	-108.8	151.8	-176.8	160.3	-4.1	109.2
306	K	32.2	Very low	29.1	Very low	183 Å²	183	156.2 Å²	156.2	80%	0.796	78%	0.778	S	S	*	*			cis	-149.2	-102.1	19.5	-154.8	-167.7	173.9	177.5	0	116.7
307	T	30.4	Very low	28.9	Very low	109 Å²	109	158.8 Å²	158.8	67%	0.669	78%	0.779	S	S	*	*			trans	-166.9	163.1	-156.2	48.6	0	0	0	0	113
308	R	29.7	Very low	28.8	Very low	203 Å²	203	162.1 Å²	162.1	77%	0.766	78%	0.781	S	S	*	*			cis	173.5	120.4	-23	168.1	-178.6	144.5	153.7	-6.9	110.7
309	K	28.5	Very low	28.8	Very low	170 Å²	170	164.9 Å²	164.9	74%	0.739	79%	0.789	S	S	*	*			trans	58	172.8	162.1	-65.4	-175.1	172.9	-179.2	0	115.9
310	Q	30.6	Very low	28.7	Very low	172 Å²	172	165.3 Å²	165.3	80%	0.804	79%	0.791	S	S	*	*			cis	-145.2	-160.9	5.7	-149.3	148.5	-27.4	0	0	113.6
311	K	28.9	Very low	29.1	Very low	191 Å²	191	167.1 Å²	167.1	83%	0.83	79%	0.789	S	S	*	*			trans	-118.6	155.7	-159	177.7	-178.1	-178.2	173.1	0	112
312	K	25.8	Very low	28.9	Very low	175 Å²	175	171 Å²	171	76%	0.761	79%	0.792	S	S	*	*			trans	120.1	107.8	139.9	-153.9	174.8	-173.9	-177.4	0	119.8
313	N	27.4	Very low	28.7	Very low	133 Å²	133	168.8 Å²	168.8	71%	0.711	78%	0.778	S	S	*	*			trans	42.5	123	139.5	-45.7	11.4	0	0	0	123.4
314	K	28.8	Very low	28.4	Very low	211 Å²	211	171 Å²	171	92%	0.917	78%	0.783	S	S	*	*				171.1	162.1	104.9	-92.9	-173.6	177.8	-175.5	0	113.8
315	R	32.1	Very low	28	Very low	239 Å²	239	170 Å²	170	90%	0.902	78%	0.781	S	S	*	*			trans	-93.3	160.2	174.9	-91.6	-179.1	169.3	170	-4.6	112.7
316	P	34.2	Very low	27.7	Very low	131 Å²	131	165.5 Å²	165.5	85%	0.851	78%	0.779	S	S	*	*				-134.4	-157.5	120.3	28.1	-9.3	0	0	0	114.9
317	R	26.5	Very low	27.2	Very low	243 Å²	243	165 Å²	165	92%	0.917	78%	0.779	S	S	*	*			trans	-127.4	174.8	-162.3	-90.8	177.2	155.9	177.3	-6.9	113.7
318	K	24.6	Very low	27.4	Very low	175 Å²	175	164.9 Å²	164.9	76%	0.761	78%	0.78	S	S	*	*			trans	86.8	152.3	166.1	-67.9	180	161.9	-167	0	115.9
319	H	23.5	Very low	27.2	Very low	196 Å²	196	162 Å²	162	91%	0.907	78%	0.778	S	S	*	*			cis	-150.1	177.7	7	-118.3	-42	0	0	0	111.7
320	S	25.1	Very low	27.2	Very low	107 Å²	107	161.7 Å²	161.7	75%	0.748	78%	0.779	S	S	*	*			trans	-98.9	169.5	177.9	-47.4	0	0	0	0	114.4
321	P	34.1	Very low	26.8	Very low	117 Å²	117	158.7 Å²	158.7	76%	0.76	77%	0.769	S	S	*	*				-133.8	168.5	101.6	14	9.3	0	0	0	113.2
322	Q	26.5	Very low	26.9	Very low	171 Å²	171	157.3 Å²	157.3	80%	0.799	77%	0.765	S	S	*	*			cis	74.2	144.2	47.9	-116	-173.7	-5.7	0	0	113.8
323	R	23.3	Very low	26.9	Very low	148 Å²	148	151.8 Å²	151.8	56%	0.558	76%	0.758	S	S	*	*			cis	-164.6	168.3	16.6	-167.9	178.3	177.7	-74.7	-3.8	112.9	E325	R323-E325 IonicContact CZ-OE1 3.87Å; R323-E325 IonicContact CZ-OE2 3.25Å; R323-E325 IonicContact NH1-OE1 2.78Å; R323-E325 PolarHBondContact NH1-OE1 3.01Å; R323-E325 IonicContact NH1-OE2 3.06Å; R323-E325 PolarHBondContact NH1-OE2 3.45Å; R323-E325 IonicContact NH2-OE1 2.6Å; R323-E325 PolarHBondContact NH2-OE1 2.98Å; R323-E325 IonicContact NH2-OE2 3.09Å; R323-E325 PolarHBondContact NH2-OE2 3.29Å
324	N	22.5	Very low	26.9	Very low	130 Å²	130	155.1 Å²	155.1	70%	0.695	76%	0.761	S	S	*	*			trans	123.2	125.5	158.4	-63.6	-2.4	0	0	0	112.5
325	E	24.3	Very low	27	Very low	140 Å²	140	151.2 Å²	151.2	65%	0.654	75%	0.749	S	S	*	*			cis	77.1	133	47.3	-63.8	-173.1	164.9	0	0	113.1	R323	R323-E325 IonicContact CZ-OE1 3.87Å; R323-E325 IonicContact CZ-OE2 3.25Å; R323-E325 IonicContact NH1-OE1 2.78Å; R323-E325 PolarHBondContact NH1-OE1 3.01Å; R323-E325 IonicContact NH1-OE2 3.06Å; R323-E325 PolarHBondContact NH1-OE2 3.45Å; R323-E325 IonicContact NH2-OE1 2.6Å; R323-E325 PolarHBondContact NH2-OE1 2.98Å; R323-E325 IonicContact NH2-OE2 3.09Å; R323-E325 PolarHBondContact NH2-OE2 3.29Å
326	T	23.1	Very low	26.7	Very low	131 Å²	131	145.1 Å²	145.1	80%	0.804	74%	0.735	S	S	*	*			cis	-145.7	164.4	24.5	-45	0	0	0	0	114.2
327	H	21.6	Very low	26.5	Very low	174 Å²	174	143.6 Å²	143.6	81%	0.806	73%	0.727	S	S	*	*			trans	-71.3	-173.3	165.5	-88.4	-75.2	0	0	0	112.6
328	P	35.3	Very low	26.6	Very low	105 Å²	105	140.3 Å²	140.3	68%	0.682	72%	0.722	S	S	*	*			cis	-148.8	170.2	21.4	46.2	-25.8	0	0	0	120.9
329	I	25	Very low	26.6	Very low	142 Å²	142	140.8 Å²	140.8	73%	0.728	73%	0.727	S	S	*	*			trans	48.2	134.2	133.3	-63	167.4	0	0	0	118.5
330	Q	27.4	Very low	26.6	Very low	165 Å²	165	137.6 Å²	137.6	77%	0.771	73%	0.727	S	S	*	*			cis	-152.4	167.8	39.4	-154.7	123.8	2.1	0	0	108.9
331	D	23.5	Very low	26.6	Very low	108 Å²	108	141.9 Å²	141.9	58%	0.578	74%	0.735	S	S	*	*			cis	-162.6	-168.6	-4.1	-136.3	-36.5	0	0	0	106.1
332	Q	30.5	Very low	26.2	Very low	162 Å²	162	140.1 Å²	140.1	76%	0.757	74%	0.738	S	S	*	*			cis	-157.9	163.1	-19.1	-159.4	155.2	104.3	0	0	105.2
333	G	26.5	Very low	26	Very low	60 Å²	60	137.2 Å²	137.2	62%	0.619	74%	0.736	S	S	*	*			cis	136.9	144.2	-8.7	0	0	0	0	0	112.8
334	R	27.6	Very low	26	Very low	203 Å²	203	134.6 Å²	134.6	77%	0.766	74%	0.741	S	S	*	*			trans	70.6	146.9	171	-89.3	-167.2	141.2	-158.3	-16.9	119.3	D336	R334-D336 IonicContact CZ-OD2 3.38Å; R334-D336 IonicContact NE-OD2 3.16Å; R334-D336 PolarHBondContact NE-OD2 3.36Å; R334-D336 VanDerWaalsContact NE-OD2 3.16Å; R334-D336 IonicContact NH2-OD2 2.77Å; R334-D336 PolarHBondContact NH2-OD2 2.59Å
335	L	29	Very low	26.3	Very low	128 Å²	128	134.8 Å²	134.8	67%	0.67	75%	0.747	S	S	*	*			cis	-117.7	135	1.1	-76.5	162.2	0	0	0	109.4
336	D	27.7	Very low	26.4	Very low	112 Å²	112	136.5 Å²	136.5	60%	0.599	76%	0.755	S	S	*	*				65.7	129	79.2	-51.8	4.9	0	0	0	111.5	R334	R334-D336 IonicContact CZ-OD2 3.38Å; R334-D336 IonicContact NE-OD2 3.16Å; R334-D336 PolarHBondContact NE-OD2 3.36Å; R334-D336 VanDerWaalsContact NE-OD2 3.16Å; R334-D336 IonicContact NH2-OD2 2.77Å; R334-D336 PolarHBondContact NH2-OD2 2.59Å
337	S	29.6	Very low	26.6	Very low	99 Å²	99	137.9 Å²	137.9	69%	0.692	76%	0.757	S	S	*	*			cis	-144.5	-159.6	4.4	-151.6	0	0	0	0	108.7
338	E	27.4	Very low	27	Very low	174 Å²	174	136.1 Å²	136.1	81%	0.813	76%	0.758	S	S	*	*			cis	-156.1	-165.9	8.7	-155.3	115.8	-87.3	0	0	110.2
339	E	24.7	Very low	26.7	Very low	185 Å²	185	137.4 Å²	137.4	86%	0.864	76%	0.764	S	S	*	*			trans	-134.5	163.6	-165.2	-57.7	-179.1	112.1	0	0	116
340	S	24.5	Very low	27	Very low	128 Å²	128	139.1 Å²	139.1	90%	0.895	77%	0.769	S	S	*	*			trans	-163.5	153.6	137.9	-141	0	0	0	0	113
341	E	25.3	Very low	27.1	Very low	198 Å²	198	141.7 Å²	141.7	93%	0.925	78%	0.777	S	S	*	*			trans	-97.7	164.8	-170.7	-59.2	-170.1	107.6	0	0	115.1
342	G	24.5	Very low	27.4	Very low	79 Å²	79	140.8 Å²	140.8	81%	0.814	79%	0.785	S	S	*	*			trans	-173.9	66.4	-179.2	0	0	0	0	0	117.6
343	S	23.1	Very low	27.5	Very low	110 Å²	110	142.9 Å²	142.9	77%	0.769	79%	0.791	S	S	*	*			trans	-25.5	133.9	175.8	-170.8	0	0	0	0	121
344	S	23	Very low	27.6	Very low	94 Å²	94	151.8 Å²	151.8	66%	0.657	81%	0.806	S	S	*	*			trans	30.6	141.2	143.2	73.2	0	0	0	0	122.2
345	T	27.8	Very low	27.9	Very low	134 Å²	134	151.3 Å²	151.3	82%	0.822	81%	0.81	S	S	*	*				-160.7	175.7	59.9	29.1	0	0	0	0	114.7
346	E	26.8	Very low	28.1	Very low	175 Å²	175	157 Å²	157	82%	0.818	82%	0.822	S	S	*	*			trans	-45.9	144.7	-174.6	-48	-179	139.7	0	0	118.2
347	N	27.4	Very low	28.1	Very low	161 Å²	161	158.7 Å²	158.7	86%	0.861	83%	0.831	S	S	*	*				-164.8	160.1	116.1	-109.5	-72.2	0	0	0	113.5
348	V	30.7	Very low	28.4	Very low	136 Å²	136	157.3 Å²	157.3	82%	0.824	83%	0.833	S	S	*	*			trans	-95.3	126.7	-172.6	177	0	0	0	0	112
349	V	28.4	Very low	28.3	Very low	133 Å²	133	158.5 Å²	158.5	81%	0.806	84%	0.835	S	S	*	*			trans	-118.5	137.2	172.2	179.5	0	0	0	0	110.7
350	H	32.4	Very low	28.8	Very low	177 Å²	177	160.9 Å²	160.9	82%	0.819	84%	0.837	S	S	*	*			trans	-62.9	135.2	177.8	-74.6	-96.6	0	0	0	111.8	A352	H350-A352 PolarHBondContact O-N 2.92Å
351	K	29.8	Very low	29.2	Very low	220 Å²	220	157.6 Å²	157.6	96%	0.957	82%	0.823	S	S	*	*			trans	-77.1	69.3	-177.1	-150.3	170.3	-169.4	173.6	0	111.9
352	A	29.2	Very low	29.7	Very low	88 Å²	88	152.8 Å²	152.8	73%	0.727	81%	0.808	S	S	*	*			trans	-59.1	140.7	173.6	0	0	0	0	0	110.9	H350 R354	H350-A352 PolarHBondContact O-N 2.92Å; A352-R354 PolarHBondContact O-N 3.15Å; A352-R354 VanDerWaalsContact O-N 3.16Å
353	K	32	Very low	30.7	Very low	206 Å²	206	155 Å²	155	90%	0.896	80%	0.801	S	S	*	*			trans	-62.3	118.6	174.9	-84.9	-178.1	174.8	176.6	0	109.4	K355	K353-K355 PolarHBondContact O-N 3.14Å
354	R	29.8	Very low	31.3	Very low	248 Å²	248	151.8 Å²	151.8	94%	0.936	78%	0.777	S	S	*	*			trans	-60	96.5	171.7	-159.2	178.6	-164.6	178.9	5.3	108.6	A352 R356	A352-R354 PolarHBondContact O-N 3.15Å; A352-R354 VanDerWaalsContact O-N 3.16Å; R354-R356 PolarHBondContact O-N 3.18Å
355	K	33.4	Very low	32.1	Very low	193 Å²	193	147.3 Å²	147.3	84%	0.839	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-59.2	123.3	170.5	-81.5	-171.8	175.2	-177	0	107.3	K353 N357	K353-K355 PolarHBondContact O-N 3.14Å; K355-N357 PolarHBondContact O-N 3.39Å
356	R	33.4	Very low	33.1	Very low	246 Å²	246	141.9 Å²	141.9	93%	0.928	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-66.9	125.6	178	-169.8	178.3	-170.2	170.9	2.8	108.2	R354 G358	R354-R356 PolarHBondContact O-N 3.18Å; R356-G358 PolarHBondContact O-N 3.41Å
357	N	27.4	Very low	33.7	Very low	148 Å²	148	134 Å²	134	79%	0.791	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-54	131.3	-177	-60.7	54.9	0	0	0	110.8	K355 K359	K355-N357 PolarHBondContact O-N 3.39Å; N357-K359 VanDerWaalsContact C-N 3.26Å; N357-K359 PolarHBondContact O-N 2.98Å
358	G	34.5	Very low	34.5	Very low	70 Å²	70	128.3 Å²	128.3	72%	0.722	65%	0.647	S	S	*	*			trans	-74.3	70.9	-179.3	0	0	0	0	0	112.7	R356 W360	R356-G358 PolarHBondContact O-N 3.41Å; G358-W360 VanDerWaalsContact C-N 3.31Å; G358-W360 PolarHBondContact O-N 3.03Å
359	K	25.9	Very low	35.4	Very low	199 Å²	199	124.9 Å²	124.9	87%	0.865	63%	0.626	S	S	*	*			trans	-69.9	96.5	158.2	-172.2	175.3	-175.9	178.7	0	106.6	N357	N357-K359 VanDerWaalsContact C-N 3.26Å; N357-K359 PolarHBondContact O-N 2.98Å
360	W	34.7	Very low	36.3	Very low	236 Å²	236	119.6 Å²	119.6	89%	0.894	59%	0.593	S	S	*	*			trans	-51	140.7	172.8	-72.2	93.5	0	0	0	109.8	G358	G358-W360 VanDerWaalsContact C-N 3.31Å; G358-W360 PolarHBondContact O-N 3.03Å
361	G	33.1	Very low	37.1	Very low	59 Å²	59	113.5 Å²	113.5	61%	0.608	57%	0.566	S	S	*	*			trans	-72	-172.1	176.4	0	0	0	0	0	112.6
362	P	35.6	Very low	37.5	Very low	96 Å²	96	112.4 Å²	112.4	62%	0.623	56%	0.556	S	S	*	*	S	Bend	trans	-55.8	172.6	164.5	-22.7	35.1	0	0	0	112.6	V364	P362-V364 HydrophobicContact CB-CG2 4.38Å; P362-V364 PolarHBondContact O-N 3.3Å
363	L	45.2	Very low	37.9	Very low	125 Å²	125	109.8 Å²	109.8	65%	0.654	53%	0.534	S	S	*	.	S	Bend	trans	-73.1	62	-178.7	-79.1	165.6	0	0	0	112.7	G514	L363-G514 CarbonylContact C-O 3.55Å
364	V	36.6	Very low	38.2	Very low	44 Å²	44	102 Å²	102	27%	0.267	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	127.9	-176.2	167.4	0	0	0	0	111.1	P362 G514 F515 T517	P362-V364 HydrophobicContact CB-CG2 4.38Å; P362-V364 PolarHBondContact O-N 3.3Å; V364-G514 WeakPolarHBondContact CA-O 3.5Å; V364-G514 WeakPolarHBondContact CG2-O 3.22Å; V364-G514 PolarHBondContact N-O 3.21Å; V364-F515 CarbonylContact C-O 3.57Å; V364-F515 WeakPolarHBondContact CA-O 3.26Å; V364-T517 HydrophobicContact CG1-CG2 3.64Å; V364-T517 VanDerWaalsContact CG1-N 3.32Å
365	G	40.8	Very low	38.8	Very low	0 Å²	0	94 Å²	94	0%	0	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	115.5	-10.8	163.5	0	0	0	0	0	116.6	F515 W561 Q565	G365-F515 PolarHBondContact N-O 3.48Å; G365-W561 WeakPolarHBondContact O-CZ2 3.45Å; G365-Q565 VanDerWaalsContact O-CG 3.25Å; G365-Q565 WeakPolarHBondContact O-CG 3.42Å; G365-Q565 PolarHBondContact O-OE1 2.78Å; G365-Q565 VanDerWaalsContact O-OE1 3.07Å
366	V	47.1	Very low	39.2	Very low	19 Å²	19	88.8 Å²	88.8	12%	0.115	47%	0.465	C	S	.	.			trans	-93.2	122.4	-177.3	-83.2	0	0	0	0	112.7	Q370 I371 L505	V366-Q370 HydrophobicContact CB-CB 3.9Å; V366-Q370 HydrophobicContact CG1-CB 4Å; V366-I371 HydrophobicContact CB-CG1 4.28Å; V366-I371 HydrophobicContact CG2-CG1 3.8Å; V366-L505 WeakPolarHBondContact O-CD2 3.48Å
367	N	40.8	Very low	39.3	Very low	11 Å²	11	78.8 Å²	78.8	6%	0.059	43%	0.43	C	S	.	.			trans	-43.3	143.4	166.9	166.7	-23.8	0	0	0	110.6	V369 Q370 I371 V501	N367-V369 CarbonylContact O-C 3.37Å; N367-V369 PolarHBondContact O-N 2.93Å; N367-V369 WeakPolarHBondContact OD1-CB 3.39Å; N367-V369 WeakPolarHBondContact OD1-CG2 3.41Å; N367-V369 PolarHBondContact OD1-N 3.17Å; N367-Q370 HydrophobicContact CB-CB 4.05Å; N367-Q370 HydrophobicContact CB-CG 3.92Å; N367-Q370 VanDerWaalsContact N-OE1 3.11Å; N367-Q370 CarbonylContact O-C 3.46Å; N367-Q370 VanDerWaalsContact O-CA 3.25Å; N367-Q370 WeakPolarHBondContact O-CA 3.41Å; N367-Q370 WeakPolarHBondContact O-CB 3.09Å; N367-Q370 PolarHBondContact O-N 3.32Å; N367-I371 PolarHBondContact O-N 3.44Å; N367-V501 HydrophobicContact CB-CG1 3.83Å; N367-V501 VanDerWaalsContact ND2-CG1 3.31Å; N367-V501 WeakPolarHBondContact ND2-CG1 3.47Å
368	P	44.2	Very low	39.8	Very low	40 Å²	40	77.1 Å²	77.1	26%	0.26	41%	0.414	S	S	.	.	H	α-helix	trans	-50.8	-31.4	179.3	-28.8	36.9	0	0	0	115.2	L505	P368-L505 HydrophobicContact CG-CD2 4.44Å
369	V	48.6	Very low	39.5	Very low	64 Å²	64	78.8 Å²	78.8	39%	0.388	41%	0.412	S	S	.	.	H	α-helix	trans	-69.6	-43.7	171.1	-178.6	0	0	0	0	111.6	N367 I371 A373 L587	N367-V369 CarbonylContact O-C 3.37Å; N367-V369 PolarHBondContact O-N 2.93Å; N367-V369 WeakPolarHBondContact OD1-CB 3.39Å; N367-V369 WeakPolarHBondContact OD1-CG2 3.41Å; N367-V369 PolarHBondContact OD1-N 3.17Å; V369-I371 VanDerWaalsContact C-N 3.29Å; V369-I371 PolarHBondContact O-N 2.85Å; V369-A373 PolarHBondContact O-N 2.88Å; V369-L587 HydrophobicContact CB-CD1 4.44Å; V369-L587 HydrophobicContact CG1-CD1 3.91Å; V369-L587 HydrophobicContact CG2-CD1 3.59Å
370	Q	47.5	Very low	39.7	Very low	23 Å²	23	79.3 Å²	79.3	11%	0.107	41%	0.408	C	S	.	.	H	α-helix	trans	-69.3	-19.9	174.6	-68.9	174.8	-28.2	0	0	113.1	V366 N367 S374	V366-Q370 HydrophobicContact CB-CB 3.9Å; V366-Q370 HydrophobicContact CG1-CB 4Å; N367-Q370 HydrophobicContact CB-CB 4.05Å; N367-Q370 HydrophobicContact CB-CG 3.92Å; N367-Q370 VanDerWaalsContact N-OE1 3.11Å; N367-Q370 CarbonylContact O-C 3.46Å; N367-Q370 VanDerWaalsContact O-CA 3.25Å; N367-Q370 WeakPolarHBondContact O-CA 3.41Å; N367-Q370 WeakPolarHBondContact O-CB 3.09Å; N367-Q370 PolarHBondContact O-N 3.32Å; Q370-S374 WeakPolarHBondContact O-CA 3.34Å; Q370-S374 WeakPolarHBondContact O-CB 3.42Å; Q370-S374 PolarHBondContact O-N 3.04Å; Q370-S374 PolarHBondContact O-OG 2.03Å
371	I	50.2	Low	39.6	Very low	49 Å²	49	73.1 Å²	73.1	25%	0.251	40%	0.401	S	S	.	.	H	α-helix	trans	-60.6	-49.4	174.5	-64.9	173	0	0	0	109.6	V366 N367 V369 S374 V375 F515	V366-I371 HydrophobicContact CB-CG1 4.28Å; V366-I371 HydrophobicContact CG2-CG1 3.8Å; N367-I371 PolarHBondContact O-N 3.44Å; V369-I371 VanDerWaalsContact C-N 3.29Å; V369-I371 PolarHBondContact O-N 2.85Å; I371-S374 PolarHBondContact O-N 3.12Å; I371-S374 PolarHBondContact O-OG 2.96Å; I371-V375 WeakPolarHBondContact O-CB 3.26Å; I371-V375 VanDerWaalsContact O-CG2 3.29Å; I371-V375 WeakPolarHBondContact O-CG2 3.23Å; I371-V375 PolarHBondContact O-N 3.32Å; I371-F515 HydrophobicContact CD1-CD1 3.94Å; I371-F515 HydrophobicContact CD1-CE1 3.36Å; I371-F515 HydrophobicContact CD1-CZ 3.9Å; I371-F515 HydrophobicContact CG1-CE1 4.38Å
372	R	37.8	Very low	39.6	Very low	197 Å²	197	79.2 Å²	79.2	74%	0.743	41%	0.406	S	S	*	.	H	α-helix	trans	-58.2	-61.7	175.5	-62.3	-177	-178.9	-177.3	-0.5	109.6	S374 V375 D376	R372-S374 VanDerWaalsContact C-N 3.25Å; R372-S374 PolarHBondContact O-N 3.1Å; R372-V375 PolarHBondContact O-N 2.96Å; R372-V375 VanDerWaalsContact O-N 3.12Å; R372-D376 PolarHBondContact O-N 3.36Å
373	A	36.9	Very low	39.4	Very low	33 Å²	33	79.8 Å²	79.8	27%	0.273	41%	0.412	S	S	.	.	H	α-helix	trans	-56.5	-30.3	-178.8	0	0	0	0	0	114.9	V369 L377	V369-A373 PolarHBondContact O-N 2.88Å; A373-L377 HydrophobicContact CB-CD1 4.49Å; A373-L377 WeakPolarHBondContact O-CB 3.47Å; A373-L377 VanDerWaalsContact O-CD1 3.3Å; A373-L377 WeakPolarHBondContact O-CD1 3.43Å; A373-L377 WeakPolarHBondContact O-CG 3.17Å; A373-L377 PolarHBondContact O-N 3.25Å
374	S	39.2	Very low	38.8	Very low	41 Å²	41	81.5 Å²	81.5	29%	0.287	42%	0.415	S	S	.	.	H	α-helix	trans	-88	-26	179.8	63.5	0	0	0	0	114.3	Q370 I371 R372 D376 Y378	Q370-S374 WeakPolarHBondContact O-CA 3.34Å; Q370-S374 WeakPolarHBondContact O-CB 3.42Å; Q370-S374 PolarHBondContact O-N 3.04Å; Q370-S374 PolarHBondContact O-OG 2.03Å; I371-S374 PolarHBondContact O-N 3.12Å; I371-S374 PolarHBondContact O-OG 2.96Å; R372-S374 VanDerWaalsContact C-N 3.25Å; R372-S374 PolarHBondContact O-N 3.1Å; S374-D376 VanDerWaalsContact C-N 3.33Å; S374-Y378 PolarHBondContact O-N 2.61Å
375	V	41.8	Very low	38.8	Very low	80 Å²	80	84.7 Å²	84.7	49%	0.485	44%	0.439	S	S	.	.	H	α-helix	trans	-68	-40	166.3	170	0	0	0	0	109.6	I371 R372 Y378	I371-V375 WeakPolarHBondContact O-CB 3.26Å; I371-V375 VanDerWaalsContact O-CG2 3.29Å; I371-V375 WeakPolarHBondContact O-CG2 3.23Å; I371-V375 PolarHBondContact O-N 3.32Å; R372-V375 PolarHBondContact O-N 2.96Å; R372-V375 VanDerWaalsContact O-N 3.12Å; V375-Y378 CarbonylContact O-C 3.4Å
376	D	42.8	Very low	38.6	Very low	84 Å²	84	90.4 Å²	90.4	45%	0.449	48%	0.479	S	S	.	.	H	α-helix	trans	-79.1	-37.6	-176.5	-52.4	-24.7	0	0	0	112.2	R372 S374	R372-D376 PolarHBondContact O-N 3.36Å; S374-D376 VanDerWaalsContact C-N 3.33Å
377	L	35.1	Very low	38.2	Very low	37 Å²	37	93 Å²	93	19%	0.194	51%	0.51	C	S	.	.	H	α-helix	trans	-80.7	-14.8	176.3	-67.3	169.8	0	0	0	114.1	A373 V438 S449	A373-L377 HydrophobicContact CB-CD1 4.49Å; A373-L377 WeakPolarHBondContact O-CB 3.47Å; A373-L377 VanDerWaalsContact O-CD1 3.3Å; A373-L377 WeakPolarHBondContact O-CD1 3.43Å; A373-L377 WeakPolarHBondContact O-CG 3.17Å; A373-L377 PolarHBondContact O-N 3.25Å; L377-V438 HydrophobicContact CD2-CG1 4.26Å; L377-S449 VanDerWaalsContact CD2-CB 3.46Å
378	Y	36.9	Very low	37.9	Very low	112 Å²	112	100.3 Å²	100.3	44%	0.439	55%	0.549	S	S	.	.	S	Bend	trans	-134.6	82.2	172.1	-88.6	-89	0	0	0	111.5	S374 V375 R380 R406 H569	S374-Y378 PolarHBondContact O-N 2.61Å; V375-Y378 CarbonylContact O-C 3.4Å; Y378-R380 VanDerWaalsContact C-N 3.33Å; Y378-R380 PolarHBondContact O-N 2.9Å; Y378-R406 WeakPolarHBondContact OH-CG 2.98Å; Y378-R406 PolarHBondContact OH-NE 2.87Å; Y378-H569 AromaticContact CE2-CD2 3.95Å; Y378-H569 AromaticContact CE2-NE2 3.45Å; Y378-H569 WeakPolarHBondContact CE2-NE2 3.43Å; Y378-H569 AromaticContact CZ-CD2 3.88Å; Y378-H569 AromaticContact CZ-NE2 3.81Å; Y378-H569 PolarHBondContact OH-CD2 3.4Å; Y378-H569 VanDerWaalsContact OH-CD2 3.27Å
379	P	29	Very low	38.2	Very low	106 Å²	106	105.8 Å²	105.8	69%	0.688	57%	0.574	S	S	*	*			trans	-59.8	95.1	166.3	-21.4	33.8	0	0	0	109.9	S381	P379-S381 PolarHBondContact O-N 3Å; P379-S381 VanDerWaalsContact O-N 3.11Å
380	R	30	Very low	37.9	Very low	209 Å²	209	110.3 Å²	110.3	79%	0.789	59%	0.591	S	S	*	*			trans	-63	116.1	167.1	178.6	175.8	-179.4	166.1	1.1	106.9	Y378 R382	Y378-R380 VanDerWaalsContact C-N 3.33Å; Y378-R380 PolarHBondContact O-N 2.9Å; R380-R382 VanDerWaalsContact C-N 3.27Å; R380-R382 PolarHBondContact O-N 3.45Å
381	S	33.4	Very low	37.9	Very low	107 Å²	107	116.8 Å²	116.8	75%	0.748	63%	0.625	S	S	*	*			trans	-57.4	86.3	174.4	36.9	0	0	0	0	111	P379 S383	P379-S381 PolarHBondContact O-N 3Å; P379-S381 VanDerWaalsContact O-N 3.11Å; S381-S383 VanDerWaalsContact C-N 3.32Å; S381-S383 PolarHBondContact O-N 3.31Å; S381-S383 VanDerWaalsContact O-N 3.15Å
382	R	33.2	Very low	37.6	Very low	186 Å²	186	118.1 Å²	118.1	70%	0.702	64%	0.639	S	S	*	*			trans	-82.5	80.6	170.8	-71.4	-169.3	-178.7	-169.8	1.4	108.4	R380 F384	R380-R382 VanDerWaalsContact C-N 3.27Å; R380-R382 PolarHBondContact O-N 3.45Å; R382-F384 HydrophobicContact CB-CD2 4.1Å; R382-F384 HydrophobicContact CB-CE2 4.35Å; R382-F384 PolarHBondContact O-N 2.85Å
383	S	31.2	Very low	38.1	Very low	109 Å²	109	117.7 Å²	117.7	76%	0.762	65%	0.646	S	S	*	*			trans	-66.7	72.9	164.1	37.2	0	0	0	0	110.4	S381 S385	S381-S383 VanDerWaalsContact C-N 3.32Å; S381-S383 PolarHBondContact O-N 3.31Å; S381-S383 VanDerWaalsContact O-N 3.15Å; S383-S385 VanDerWaalsContact C-N 3.27Å; S383-S385 PolarHBondContact O-N 3.27Å
384	F	32.4	Very low	39	Very low	160 Å²	160	121.5 Å²	121.5	70%	0.702	67%	0.665	S	S	*	*			trans	-75.4	81	168.9	-84.3	-54.9	0	0	0	109.9	R382	R382-F384 HydrophobicContact CB-CD2 4.1Å; R382-F384 HydrophobicContact CB-CE2 4.35Å; R382-F384 PolarHBondContact O-N 2.85Å
385	S	35.8	Very low	40.3	Very low	112 Å²	112	124.6 Å²	124.6	78%	0.783	69%	0.685	S	S	*	*			trans	-102.8	77.7	168.3	-60.2	0	0	0	0	109.7	S383 G387	S383-S385 VanDerWaalsContact C-N 3.27Å; S383-S385 PolarHBondContact O-N 3.27Å; S385-G387 PolarHBondContact O-N 3.3Å; S385-G387 VanDerWaalsContact O-N 3.15Å
386	S	37.2	Very low	41.8	Very low	119 Å²	119	126 Å²	126	83%	0.832	70%	0.696	S	S	*	*			trans	-72.2	102.7	170.9	-72.6	0	0	0	0	110.4
387	G	37.9	Very low	43.6	Very low	74 Å²	74	126 Å²	126	76%	0.763	70%	0.695	S	S	*	*			trans	83.1	91.1	157	0	0	0	0	0	117.1	S385	S385-G387 PolarHBondContact O-N 3.3Å; S385-G387 VanDerWaalsContact O-N 3.15Å
388	N	34.8	Very low	45.9	Very low	164 Å²	164	126.8 Å²	126.8	88%	0.877	70%	0.703	S	S	*	*				-148.4	149.4	113.1	-147.5	-18.7	0	0	0	110.9
389	I	50.1	Low	48.3	Very low	155 Å²	155	122.5 Å²	122.5	80%	0.795	69%	0.689	S	S	*	*			trans	-93.6	103.3	-179.3	-60.3	177	0	0	0	108.9
390	H	42.1	Very low	50.9	Low	160 Å²	160	122.7 Å²	122.7	74%	0.741	68%	0.684	S	S	*	*			trans	-139.4	114.5	162.5	-166	-91.4	0	0	0	110.8	S392	H390-S392 PolarHBondContact O-N 3.3Å
391	L	48.8	Very low	53.4	Low	158 Å²	158	119.5 Å²	119.5	83%	0.827	68%	0.683	S	S	*	*			trans	-81	64.2	-179.9	-88	157.8	0	0	0	111.4	Q393	L391-Q393 PolarHBondContact O-N 3.3Å
392	S	42.3	Very low	55.8	Low	78 Å²	78	118.6 Å²	118.6	55%	0.545	67%	0.666	S	S	.	*			trans	-72.5	112.7	162.5	46.2	0	0	0	0	109.3	H390 T394	H390-S392 PolarHBondContact O-N 3.3Å; S392-T394 PolarHBondContact O-N 3.44Å
393	Q	49.2	Very low	58.2	Low	188 Å²	188	120.3 Å²	120.3	88%	0.879	67%	0.672	S	S	*	*			trans	-76.3	66.2	178.3	-65.8	-176.4	-0.5	0	0	111.8	L391	L391-Q393 PolarHBondContact O-N 3.3Å
394	T	55.1	Low	60.9	Low	112 Å²	112	116.8 Å²	116.8	69%	0.687	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-64.9	136.6	160.1	-26.2	0	0	0	0	108	S392	S392-T394 PolarHBondContact O-N 3.44Å
395	P	66.3	Low	63.5	Low	107 Å²	107	116.7 Å²	116.7	70%	0.695	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-55	140.4	166.3	-23.5	34.2	0	0	0	109.8
396	P	74.9	Confident	66	Low	110 Å²	110	114.5 Å²	114.5	71%	0.714	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-60.3	139.9	173.7	27.2	-34.2	0	0	0	109.3	P398	P396-P398 WeakPolarHBondContact O-CD 3.49Å
397	D	78.8	Confident	68.4	Low	82 Å²	82	109.3 Å²	109.3	44%	0.439	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-68.2	124.9	-176.2	-172	-21.5	0	0	0	108.5	C399 D400	D397-C399 PolarHBondContact O-N 2.83Å; D397-C399 VanDerWaalsContact OD1-CB 3.27Å; D397-C399 WeakPolarHBondContact OD1-CB 3.02Å; D397-C399 PolarHBondContact OD1-N 3.48Å; D397-D400 HydrophobicContact CB-CB 4.49Å; D397-D400 PolarHBondContact N-OD2 3.37Å; D397-D400 WeakPolarHBondContact O-CB 3.44Å; D397-D400 PolarHBondContact O-N 3.43Å
398	P	83.6	Confident	71	Confident	55 Å²	55	108.4 Å²	108.4	36%	0.357	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.3	-23.1	172.5	22.2	-34.4	0	0	0	113.1	P396 P412 P418	P396-P398 WeakPolarHBondContact O-CD 3.49Å; P398-P412 HydrophobicContact CG-CB 4.02Å; P398-P418 HydrophobicContact CB-CB 4.16Å; P398-P418 HydrophobicContact CB-CG 4.28Å; P398-P418 WeakPolarHBondContact O-CB 3.24Å
399	C	87.3	Confident	73.7	Confident	22 Å²	22	102.6 Å²	102.6	15%	0.149	53%	0.532	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-17.5	176.3	-69.6	0	0	0	0	115.6	D397 N401 F402 C410	D397-C399 PolarHBondContact O-N 2.83Å; D397-C399 VanDerWaalsContact OD1-CB 3.27Å; D397-C399 WeakPolarHBondContact OD1-CB 3.02Å; D397-C399 PolarHBondContact OD1-N 3.48Å; C399-N401 PolarHBondContact O-N 3.38Å; C399-F402 PolarHBondContact O-N 2.99Å; C399-C410 WeakPolarHBondContact CA-SG 3.06Å; C399-C410 HydrophobicContact CB-CB 3.58Å; C399-C410 WeakPolarHBondContact CB-SG 3.47Å; C399-C410 WeakPolarHBondContact SG-CB 3.44Å; C399-C410 CovalentContact SG-SG 2.03Å; C399-C410 PolarHBondContact SG-SG 2.74Å
400	D	83.9	Confident	75.7	Confident	110 Å²	110	96.3 Å²	96.3	59%	0.588	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-28.4	-174.1	-87.5	-37.2	0	0	0	114.1	D397	D397-D400 HydrophobicContact CB-CB 4.49Å; D397-D400 PolarHBondContact N-OD2 3.37Å; D397-D400 WeakPolarHBondContact O-CB 3.44Å; D397-D400 PolarHBondContact O-N 3.43Å
401	N	82.8	Confident	78	Confident	142 Å²	142	92.5 Å²	92.5	76%	0.759	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	13.4	-180	-72.6	-96.4	0	0	0	113.1	C399	C399-N401 PolarHBondContact O-N 3.38Å
402	F	84.8	Confident	79.9	Confident	87 Å²	87	88.8 Å²	88.8	38%	0.382	47%	0.468	S	S	.	.			trans	-106.8	104.5	-176.1	-164.8	-102.7	0	0	0	111.8	C399 C410 P418 C420	C399-F402 PolarHBondContact O-N 2.99Å; F402-C410 HydrophobicContact CD1-CB 4.4Å; F402-P418 HydrophobicContact CB-CB 3.78Å; F402-P418 HydrophobicContact CB-CG 4.03Å; F402-P418 HydrophobicContact CD1-CB 3.67Å; F402-P418 HydrophobicContact CD1-CG 4.15Å; F402-P418 HydrophobicContact CD2-CB 4.08Å; F402-P418 HydrophobicContact CD2-CG 3.64Å; F402-P418 HydrophobicContact CE1-CB 4.16Å; F402-P418 HydrophobicContact CE1-CG 4.47Å; F402-P418 WeakPolarHBondContact CE1-O 3.2Å; F402-P418 HydrophobicContact CE2-CG 4.05Å; F402-P418 HydrophobicContact CG-CB 3.58Å; F402-P418 HydrophobicContact CG-CG 3.69Å; F402-P418 HydrophobicContact CZ-CG 4.43Å; F402-P418 WeakPolarHBondContact CZ-O 3.44Å; F402-C420 WeakPolarHBondContact CE1-SG 3.27Å
403	W	82.1	Confident	82	Confident	223 Å²	223	89.1 Å²	89.1	85%	0.845	46%	0.464	S	S	*	.			trans	-94	114.1	-170.9	-66.5	72	0	0	0	111.5
404	C	89.1	Confident	83.7	Confident	34 Å²	34	87.2 Å²	87.2	23%	0.23	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-83.9	162.8	176.6	-67	0	0	0	0	113.1	K408 C420	C404-K408 HydrophobicContact CB-CB 3.91Å; C404-K408 WeakPolarHBondContact CB-O 3.37Å; C404-C420 WeakPolarHBondContact CA-SG 3.46Å; C404-C420 HydrophobicContact CB-CB 3.91Å; C404-C420 WeakPolarHBondContact CB-SG 3.39Å; C404-C420 WeakPolarHBondContact SG-CA 3.33Å; C404-C420 WeakPolarHBondContact SG-CB 3.41Å; C404-C420 CovalentContact SG-SG 2.04Å; C404-C420 PolarHBondContact SG-SG 2.84Å
405	K	86.3	Confident	85	Confident	159 Å²	159	87 Å²	87	69%	0.691	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-68.1	158.5	171.5	-65.7	-169.2	176.9	-169.6	0	110.7	G407 K408	K405-G407 PolarHBondContact O-N 2.86Å; K405-K408 WeakPolarHBondContact O-CB 3.47Å; K405-K408 PolarHBondContact O-N 2.94Å
406	R	88.2	Confident	85.7	Confident	65 Å²	65	84.3 Å²	84.3	25%	0.245	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	133.1	173.3	-76.2	178.6	169.1	-175.7	-3.6	111.6	Y378 K408 F453 H569	Y378-R406 WeakPolarHBondContact OH-CG 2.98Å; Y378-R406 PolarHBondContact OH-NE 2.87Å; R406-K408 PolarHBondContact O-N 3.29Å; R406-F453 HydrophobicContact CB-CB 4.2Å; R406-F453 HydrophobicContact CB-CD1 4.25Å; R406-F453 HydrophobicContact CB-CD2 4.14Å; R406-F453 HydrophobicContact CB-CG 3.94Å; R406-F453 HydrophobicContact CG-CD2 4.28Å; R406-F453 HydrophobicContact CG-CE2 4.44Å; R406-F453 VanDerWaalsContact NH1-CZ 3.32Å; R406-H569 VanDerWaalsContact CZ-CD2 3.41Å; R406-H569 PolarHBondContact NE-CD2 3.13Å; R406-H569 PolarHBondContact NH2-CD2 2.88Å; R406-H569 PolarHBondContact NH2-CE1 3.32Å; R406-H569 PolarHBondContact NH2-ND1 2.88Å; R406-H569 VanDerWaalsContact NH2-ND1 3.17Å; R406-H569 PolarHBondContact NH2-NE2 2.95Å
407	G	88.9	Confident	86.2	Confident	10 Å²	10	84.5 Å²	84.5	10%	0.103	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-1	-178	0	0	0	0	0	115.2	K405 Q423 F453 C457	K405-G407 PolarHBondContact O-N 2.86Å; G407-Q423 PolarHBondContact O-N 2.83Å; G407-F453 WeakPolarHBondContact CA-O 3.48Å; G407-C457 WeakPolarHBondContact O-CB 3.42Å; G407-C457 PolarHBondContact O-SG 3.35Å
408	K	91	Very high	86.6	Confident	55 Å²	55	82.4 Å²	82.4	24%	0.239	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.8	172.7	-67.5	-177.8	177.8	-179.9	0	110.3	C404 K405 R406 C420 V421 C457 E460	C404-K408 HydrophobicContact CB-CB 3.91Å; C404-K408 WeakPolarHBondContact CB-O 3.37Å; K405-K408 WeakPolarHBondContact O-CB 3.47Å; K405-K408 PolarHBondContact O-N 2.94Å; R406-K408 PolarHBondContact O-N 3.29Å; K408-C420 HydrophobicContact CB-CB 4.27Å; K408-C420 HydrophobicContact CD-CB 4.44Å; K408-V421 CarbonylContact C-O 3.18Å; K408-V421 WeakPolarHBondContact CA-O 3.47Å; K408-V421 VanDerWaalsContact CB-O 3.29Å; K408-V421 WeakPolarHBondContact CB-O 3.37Å; K408-C457 WeakPolarHBondContact CE-SG 3.11Å; K408-C457 WeakPolarHBondContact CG-SG 3.3Å; K408-E460 WeakPolarHBondContact CE-OE2 3.47Å; K408-E460 IonicContact NZ-OE1 2.9Å; K408-E460 PolarHBondContact NZ-OE1 3.09Å; K408-E460 IonicContact NZ-OE2 2.64Å; K408-E460 PolarHBondContact NZ-OE2 3.35Å
409	T	91.4	Very high	87	Confident	42 Å²	42	80.3 Å²	80.3	26%	0.258	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	155.4	173.4	-173.2	0	0	0	0	109.8	K411 V421 Q423	T409-K411 HydrophobicContact CG2-CD 4.47Å; T409-K411 HydrophobicContact CG2-CG 4.33Å; T409-V421 HydrophobicContact CG2-CG2 4.08Å; T409-V421 PolarHBondContact N-O 2.85Å; T409-V421 PolarHBondContact O-N 2.93Å; T409-Q423 HydrophobicContact CG2-CB 4.18Å; T409-Q423 HydrophobicContact CG2-CG 4.49Å
410	C	91.9	Very high	87.2	Confident	23 Å²	23	81.8 Å²	81.8	16%	0.155	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129	175.7	-175.5	0	0	0	0	109.6	C399 F402 P418 G419	C399-C410 WeakPolarHBondContact CA-SG 3.06Å; C399-C410 HydrophobicContact CB-CB 3.58Å; C399-C410 WeakPolarHBondContact CB-SG 3.47Å; C399-C410 WeakPolarHBondContact SG-CB 3.44Å; C399-C410 CovalentContact SG-SG 2.03Å; C399-C410 PolarHBondContact SG-SG 2.74Å; F402-C410 HydrophobicContact CD1-CB 4.4Å; C410-P418 WeakPolarHBondContact SG-CB 3.33Å; C410-G419 WeakPolarHBondContact CA-O 3.43Å
411	K	90.3	Very high	87.7	Confident	81 Å²	81	79.5 Å²	79.5	35%	0.352	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.2	167.2	-60	-171.2	-174.5	179.6	0	107.4	T409 G419 V421 E427	T409-K411 HydrophobicContact CG2-CD 4.47Å; T409-K411 HydrophobicContact CG2-CG 4.33Å; K411-G419 PolarHBondContact N-O 3.11Å; K411-G419 PolarHBondContact O-N 2.8Å; K411-G419 VanDerWaalsContact O-O 3.1Å; K411-V421 HydrophobicContact CB-CG2 4.16Å; K411-V421 HydrophobicContact CD-CG2 3.9Å; K411-V421 HydrophobicContact CG-CG2 3.88Å; K411-E427 VanDerWaalsContact NZ-CD 3.28Å; K411-E427 IonicContact NZ-OE1 2.75Å; K411-E427 PolarHBondContact NZ-OE1 3.26Å; K411-E427 IonicContact NZ-OE2 2.95Å; K411-E427 PolarHBondContact NZ-OE2 3.48Å
412	P	89.6	Confident	88.2	Confident	79 Å²	79	74.7 Å²	74.7	51%	0.513	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	132.1	-179.6	26.4	-32.9	0	0	0	111.7	P398 K417	P398-P412 HydrophobicContact CG-CB 4.02Å; P412-K417 CarbonylContact C-O 3.28Å; P412-K417 WeakPolarHBondContact CA-O 3.27Å
413	D	86.5	Confident	88.6	Confident	86 Å²	86	72.3 Å²	72.3	46%	0.46	39%	0.387	S	S	.	.			trans	-68.8	169.3	170.7	-68.3	-38.9	0	0	0	111.4	D415 G416 K417	D413-D415 PolarHBondContact O-N 3.15Å; D413-G416 PolarHBondContact O-N 3.25Å; D413-K417 PolarHBondContact N-O 2.9Å
414	T	85.3	Confident	89	Confident	147 Å²	147	65.3 Å²	65.3	90%	0.902	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-23.7	177	53.2	0	0	0	0	114.7	G416	T414-G416 VanDerWaalsContact C-N 3.31Å
415	D	82.4	Confident	89.1	Confident	109 Å²	109	65.4 Å²	65.4	58%	0.583	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	0.9	178.8	-72.8	14.6	0	0	0	113.4	D413 K417	D413-D415 PolarHBondContact O-N 3.15Å; D415-K417 HydrophobicContact CB-CD 3.73Å; D415-K417 HydrophobicContact CB-CG 3.94Å; D415-K417 PolarHBondContact O-N 2.8Å; D415-K417 WeakPolarHBondContact OD2-CE 3.41Å; D415-K417 IonicContact OD2-NZ 2.67Å; D415-K417 PolarHBondContact OD2-NZ 3.13Å
416	G	80.6	Confident	89.2	Confident	50 Å²	50	65.5 Å²	65.5	52%	0.515	37%	0.373	S	S	.	.	S	Bend	trans	71.1	16.1	-170.9	0	0	0	0	0	114	D413 T414	D413-G416 PolarHBondContact O-N 3.25Å; T414-G416 VanDerWaalsContact C-N 3.31Å
417	K	84.8	Confident	89.2	Confident	113 Å²	113	67.1 Å²	67.1	49%	0.491	38%	0.384	S	S	.	.			trans	-92.3	145.7	178.1	-63.8	167	-171.6	157.8	0	109.8	P412 D413 D415 G419	P412-K417 CarbonylContact C-O 3.28Å; P412-K417 WeakPolarHBondContact CA-O 3.27Å; D413-K417 PolarHBondContact N-O 2.9Å; D415-K417 HydrophobicContact CB-CD 3.73Å; D415-K417 HydrophobicContact CB-CG 3.94Å; D415-K417 PolarHBondContact O-N 2.8Å; D415-K417 WeakPolarHBondContact OD2-CE 3.41Å; D415-K417 IonicContact OD2-NZ 2.67Å; D415-K417 PolarHBondContact OD2-NZ 3.13Å; K417-G419 PolarHBondContact O-N 3.47Å
418	P	88.8	Confident	89.2	Confident	38 Å²	38	67.6 Å²	67.6	25%	0.247	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	122.6	177.6	30.2	-32.2	0	0	0	111.3	P398 F402 C410	P398-P418 HydrophobicContact CB-CB 4.16Å; P398-P418 HydrophobicContact CB-CG 4.28Å; P398-P418 WeakPolarHBondContact O-CB 3.24Å; F402-P418 HydrophobicContact CB-CB 3.78Å; F402-P418 HydrophobicContact CB-CG 4.03Å; F402-P418 HydrophobicContact CD1-CB 3.67Å; F402-P418 HydrophobicContact CD1-CG 4.15Å; F402-P418 HydrophobicContact CD2-CB 4.08Å; F402-P418 HydrophobicContact CD2-CG 3.64Å; F402-P418 HydrophobicContact CE1-CB 4.16Å; F402-P418 HydrophobicContact CE1-CG 4.47Å; F402-P418 WeakPolarHBondContact CE1-O 3.2Å; F402-P418 HydrophobicContact CE2-CG 4.05Å; F402-P418 HydrophobicContact CG-CB 3.58Å; F402-P418 HydrophobicContact CG-CG 3.69Å; F402-P418 HydrophobicContact CZ-CG 4.43Å; F402-P418 WeakPolarHBondContact CZ-O 3.44Å; C410-P418 WeakPolarHBondContact SG-CB 3.33Å
419	G	90.4	Very high	89.1	Confident	11 Å²	11	69.4 Å²	69.4	11%	0.113	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146.5	176.1	0	0	0	0	0	111.9	C410 K411 K417	C410-G419 WeakPolarHBondContact CA-O 3.43Å; K411-G419 PolarHBondContact N-O 3.11Å; K411-G419 PolarHBondContact O-N 2.8Å; K411-G419 VanDerWaalsContact O-O 3.1Å; K417-G419 PolarHBondContact O-N 3.47Å
420	C	92.7	Very high	88.7	Confident	53 Å²	53	70.3 Å²	70.3	36%	0.358	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	104	175.8	-70.7	0	0	0	0	111.5	F402 C404 K408	F402-C420 WeakPolarHBondContact CE1-SG 3.27Å; C404-C420 WeakPolarHBondContact CA-SG 3.46Å; C404-C420 HydrophobicContact CB-CB 3.91Å; C404-C420 WeakPolarHBondContact CB-SG 3.39Å; C404-C420 WeakPolarHBondContact SG-CA 3.33Å; C404-C420 WeakPolarHBondContact SG-CB 3.41Å; C404-C420 CovalentContact SG-SG 2.04Å; C404-C420 PolarHBondContact SG-SG 2.84Å; K408-C420 HydrophobicContact CB-CB 4.27Å; K408-C420 HydrophobicContact CD-CB 4.44Å
421	V	92.9	Very high	88.3	Confident	63 Å²	63	71 Å²	71	38%	0.382	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	158.4	174.2	-62.6	0	0	0	0	110.6	K408 T409 K411	K408-V421 CarbonylContact C-O 3.18Å; K408-V421 WeakPolarHBondContact CA-O 3.47Å; K408-V421 VanDerWaalsContact CB-O 3.29Å; K408-V421 WeakPolarHBondContact CB-O 3.37Å; T409-V421 HydrophobicContact CG2-CG2 4.08Å; T409-V421 PolarHBondContact N-O 2.85Å; T409-V421 PolarHBondContact O-N 2.93Å; K411-V421 HydrophobicContact CB-CG2 4.16Å; K411-V421 HydrophobicContact CD-CG2 3.9Å; K411-V421 HydrophobicContact CG-CG2 3.88Å
422	C	94.3	Very high	87.9	Confident	40 Å²	40	73.1 Å²	73.1	27%	0.27	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	141.4	170.3	-67	0	0	0	0	110.8	C457 N458	C422-C457 WeakPolarHBondContact CA-SG 3.22Å; C422-C457 HydrophobicContact CB-CB 3.72Å; C422-C457 WeakPolarHBondContact CB-SG 3.31Å; C422-C457 WeakPolarHBondContact SG-CB 3.39Å; C422-C457 PolarHBondContact SG-O 2.94Å; C422-C457 VanDerWaalsContact SG-O 3.34Å; C422-C457 CovalentContact SG-SG 2.04Å; C422-C457 PolarHBondContact SG-SG 3.32Å; C422-N458 WeakPolarHBondContact CB-OD1 3.45Å
423	Q	92.7	Very high	87.5	Confident	38 Å²	38	73.2 Å²	73.2	18%	0.178	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-77	146.6	171.2	-172.9	171.9	-3.4	0	0	109.5	G407 T409 E427 C450 A454 N458	G407-Q423 PolarHBondContact O-N 2.83Å; T409-Q423 HydrophobicContact CG2-CB 4.18Å; T409-Q423 HydrophobicContact CG2-CG 4.49Å; Q423-E427 HydrophobicContact CG-CB 4.08Å; Q423-E427 PolarHBondContact NE2-O 2.74Å; Q423-E427 VanDerWaalsContact NE2-O 3.16Å; Q423-C450 PolarHBondContact NE2-SG 3Å; Q423-C450 VanDerWaalsContact NE2-SG 3.43Å; Q423-A454 HydrophobicContact CB-CB 4.32Å; Q423-A454 WeakPolarHBondContact O-CB 3.45Å; Q423-N458 PolarHBondContact O-ND2 3.28Å
424	D	91.2	Very high	87.3	Confident	76 Å²	76	72.8 Å²	72.8	41%	0.406	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-75.2	131.3	168.2	-165.5	-45.7	0	0	0	108.9	L426 E427	D424-L426 PolarHBondContact O-N 3.17Å; D424-L426 VanDerWaalsContact O-N 3.07Å; D424-L426 WeakPolarHBondContact OD1-CB 3.32Å; D424-L426 WeakPolarHBondContact OD1-CG 3.45Å; D424-L426 PolarHBondContact OD1-N 2.66Å; D424-E427 HydrophobicContact CB-CB 4.15Å; D424-E427 HydrophobicContact CB-CG 3.94Å; D424-E427 WeakPolarHBondContact O-CA 3.5Å; D424-E427 WeakPolarHBondContact O-CB 3.47Å; D424-E427 PolarHBondContact O-N 3.02Å
425	P	90.5	Very high	87.2	Confident	35 Å²	35	72.8 Å²	72.8	23%	0.227	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-52	-26	171.2	-28.1	36.1	0	0	0	114.2	C428 E451 A454 N458	P425-C428 WeakPolarHBondContact O-CB 3.46Å; P425-C428 PolarHBondContact O-N 2.97Å; P425-E451 HydrophobicContact CB-CG 3.97Å; P425-A454 HydrophobicContact CB-CB 4.43Å; P425-A454 HydrophobicContact CG-CB 3.91Å; P425-N458 WeakPolarHBondContact CD-ND2 3.27Å
426	L	88	Confident	87.4	Confident	161 Å²	161	69.9 Å²	69.9	84%	0.843	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-81.5	-16	174.9	-55.7	176.3	0	0	0	113.6	D424 C428	D424-L426 PolarHBondContact O-N 3.17Å; D424-L426 VanDerWaalsContact O-N 3.07Å; D424-L426 WeakPolarHBondContact OD1-CB 3.32Å; D424-L426 WeakPolarHBondContact OD1-CG 3.45Å; D424-L426 PolarHBondContact OD1-N 2.66Å; L426-C428 VanDerWaalsContact C-N 3.26Å
427	E	89.2	Confident	88	Confident	100 Å²	100	69.3 Å²	69.3	47%	0.467	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-82.5	-0.5	168.2	-75.3	-179.5	162.8	0	0	111.9	K411 Q423 D424	K411-E427 VanDerWaalsContact NZ-CD 3.28Å; K411-E427 IonicContact NZ-OE1 2.75Å; K411-E427 PolarHBondContact NZ-OE1 3.26Å; K411-E427 IonicContact NZ-OE2 2.95Å; K411-E427 PolarHBondContact NZ-OE2 3.48Å; Q423-E427 HydrophobicContact CG-CB 4.08Å; Q423-E427 PolarHBondContact NE2-O 2.74Å; Q423-E427 VanDerWaalsContact NE2-O 3.16Å; D424-E427 HydrophobicContact CB-CB 4.15Å; D424-E427 HydrophobicContact CB-CG 3.94Å; D424-E427 WeakPolarHBondContact O-CA 3.5Å; D424-E427 WeakPolarHBondContact O-CB 3.47Å; D424-E427 PolarHBondContact O-N 3.02Å
428	C	89.7	Confident	88.5	Confident	19 Å²	19	63.9 Å²	63.9	13%	0.128	37%	0.373	C	S	.	.	S	Bend	trans	-80.6	145.6	175.6	-72.3	0	0	0	0	111.9	P425 L426 G430 C450 E451	P425-C428 WeakPolarHBondContact O-CB 3.46Å; P425-C428 PolarHBondContact O-N 2.97Å; L426-C428 VanDerWaalsContact C-N 3.26Å; C428-G430 PolarHBondContact O-N 2.84Å; C428-C450 VanDerWaalsContact CA-SG 3.59Å; C428-C450 HydrophobicContact CB-CB 3.68Å; C428-C450 WeakPolarHBondContact CB-SG 3.22Å; C428-C450 WeakPolarHBondContact SG-CB 3.27Å; C428-C450 CovalentContact SG-SG 2.04Å; C428-C450 PolarHBondContact SG-SG 2.86Å; C428-E451 PolarHBondContact SG-N 3.19Å
429	P	87.8	Confident	88.8	Confident	94 Å²	94	62.1 Å²	62.1	61%	0.61	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-56.7	129	165.4	-22.4	33.7	0	0	0	110.4	T448	P429-T448 WeakPolarHBondContact O-CG2 3.4Å
430	G	83.4	Confident	89.1	Confident	60 Å²	60	61.6 Å²	61.6	62%	0.619	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-68.7	148.5	171.1	0	0	0	0	0	111	C428 T432	C428-G430 PolarHBondContact O-N 2.84Å; G430-T432 PolarHBondContact O-N 2.04Å
431	S	83.5	Confident	89.1	Confident	39 Å²	39	61.5 Å²	61.5	27%	0.273	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-66.8	127.5	-176.6	53.6	0	0	0	0	112.4	E436 D447	S431-E436 WeakPolarHBondContact CA-OE2 3.26Å; S431-D447 WeakPolarHBondContact CB-O 3.39Å
432	T	81.3	Confident	89.2	Confident	125 Å²	125	62.2 Å²	62.2	77%	0.767	36%	0.355	S	S	*	.	S	Bend	trans	-81.9	-23.2	171.4	80.9	0	0	0	0	112.2	G430 E436	G430-T432 PolarHBondContact O-N 2.04Å; T432-E436 PolarHBondContact N-OE2 3.25Å; T432-E436 PolarHBondContact OG1-OE1 3.43Å
433	N	82.1	Confident	89.3	Confident	80 Å²	80	65.6 Å²	65.6	43%	0.428	37%	0.371	S	S	.	.	S	Bend	trans	-149.8	149.6	-171.7	-158	-16.5	0	0	0	112.3	F435 E436	N433-F435 PolarHBondContact O-N 3.32Å; N433-F435 VanDerWaalsContact O-N 3.09Å; N433-F435 WeakPolarHBondContact OD1-CD2 3.26Å; N433-E436 HydrophobicContact CB-CG 4.5Å; N433-E436 WeakPolarHBondContact O-CB 3.4Å; N433-E436 PolarHBondContact O-N 3.09Å
434	T	82.6	Confident	89.4	Confident	77 Å²	77	67.6 Å²	67.6	47%	0.472	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.2	-175.1	59.2	0	0	0	0	114.3	H437	T434-H437 WeakPolarHBondContact O-CB 3.02Å
435	F	81.5	Confident	89.7	Confident	147 Å²	147	66.3 Å²	66.3	65%	0.645	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-19.2	172.3	-55.6	-69.3	0	0	0	113.5	N433 H437	N433-F435 PolarHBondContact O-N 3.32Å; N433-F435 VanDerWaalsContact O-N 3.09Å; N433-F435 WeakPolarHBondContact OD1-CD2 3.26Å; F435-H437 VanDerWaalsContact C-N 3.34Å
436	E	87.6	Confident	89.9	Confident	49 Å²	49	65 Å²	65	23%	0.229	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-21	177.6	-60.8	169.3	-175.1	0	0	112.1	S431 T432 N433 D447	S431-E436 WeakPolarHBondContact CA-OE2 3.26Å; T432-E436 PolarHBondContact N-OE2 3.25Å; T432-E436 PolarHBondContact OG1-OE1 3.43Å; N433-E436 HydrophobicContact CB-CG 4.5Å; N433-E436 WeakPolarHBondContact O-CB 3.4Å; N433-E436 PolarHBondContact O-N 3.09Å; E436-D447 CarbonylContact C-O 3.45Å
437	H	93	Very high	90.1	Very high	37 Å²	37	61.4 Å²	61.4	17%	0.171	35%	0.346	C	S	.	.			trans	-54.7	151.7	172.4	-60.7	177.7	0	0	0	111.2	T434 F435 T445 Y446 D447 G474 P475	T434-H437 WeakPolarHBondContact O-CB 3.02Å; F435-H437 VanDerWaalsContact C-N 3.34Å; H437-T445 HydrophobicContact CB-CG2 4.1Å; H437-Y446 WeakPolarHBondContact CA-O 3.45Å; H437-D447 VanDerWaalsContact CA-O 3.28Å; H437-D447 WeakPolarHBondContact CA-O 3.38Å; H437-D447 PolarHBondContact CD2-O 3.44Å; H437-D447 PolarHBondContact N-O 2.87Å; H437-G474 CarbonylContact O-C 3.45Å; H437-G474 VanDerWaalsContact O-CA 3.25Å; H437-G474 WeakPolarHBondContact O-CA 3.29Å; H437-G474 PolarHBondContact O-N 3.29Å; H437-P475 HydrophobicContact CB-CB 4.36Å
438	V	94.6	Very high	90.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152	174.2	-61.3	0	0	0	0	112.2	L377 T445 Y446 L452 L470 T473 G474	L377-V438 HydrophobicContact CD2-CG1 4.26Å; V438-T445 WeakPolarHBondContact O-CA 3.42Å; V438-Y446 PolarHBondContact N-O 2.95Å; V438-Y446 PolarHBondContact O-N 3.32Å; V438-L452 HydrophobicContact CG2-CB 3.89Å; V438-L452 HydrophobicContact CG2-CD1 3.64Å; V438-L452 HydrophobicContact CG2-CG 4.41Å; V438-L470 HydrophobicContact CB-CD1 3.57Å; V438-L470 HydrophobicContact CG1-CD1 3.9Å; V438-L470 HydrophobicContact CG2-CD1 4.1Å; V438-T473 HydrophobicContact CG1-CG2 4.49Å; V438-G474 CarbonylContact C-O 3.55Å; V438-G474 VanDerWaalsContact C-O 3.28Å; V438-G474 VanDerWaalsContact CA-O 3.31Å; V438-G474 WeakPolarHBondContact CA-O 3.44Å
439	C	95.9	Very high	90.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.1	173.3	-168.3	0	0	0	0	111.4	D471 Y472 G474 C476	C439-D471 PolarHBondContact O-N 2.86Å; C439-Y472 HydrophobicContact CB-CD1 4.14Å; C439-Y472 HydrophobicContact CB-CD2 3.87Å; C439-Y472 HydrophobicContact CB-CE1 3.73Å; C439-Y472 HydrophobicContact CB-CE2 3.48Å; C439-Y472 VanDerWaalsContact CB-CE2 3.48Å; C439-Y472 HydrophobicContact CB-CG 4.19Å; C439-Y472 VanDerWaalsContact CB-CZ 3.41Å; C439-Y472 PolarHBondContact N-O 3.39Å; C439-Y472 PolarHBondContact SG-OH 2.83Å; C439-Y472 VanDerWaalsContact SG-OH 3.33Å; C439-G474 PolarHBondContact N-O 2.97Å; C439-G474 VanDerWaalsContact N-O 3.17Å; C439-C476 WeakPolarHBondContact CA-SG 3.48Å; C439-C476 HydrophobicContact CB-CB 3.99Å; C439-C476 WeakPolarHBondContact CB-SG 3.29Å; C439-C476 VanDerWaalsContact SG-CA 3.5Å; C439-C476 WeakPolarHBondContact SG-CB 3.48Å; C439-C476 CovalentContact SG-SG 2.04Å; C439-C476 PolarHBondContact SG-SG 2.92Å
440	G	95.9	Very high	90.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	159	171.3	0	0	0	0	0	113.1	D442 N443 K444 H469	G440-D442 PolarHBondContact O-N 2.76Å; G440-D442 VanDerWaalsContact O-N 3.1Å; G440-N443 WeakPolarHBondContact O-CA 3.48Å; G440-N443 PolarHBondContact O-N 3.13Å; G440-K444 PolarHBondContact N-O 2.84Å; G440-H469 WeakPolarHBondContact CA-O 3.45Å
441	T	94.6	Very high	91.2	Very high	52 Å²	52	53 Å²	53	32%	0.319	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-4.6	172.5	49.5	0	0	0	0	114.7	N443 K467 L468 H469 D471 H577	T441-N443 VanDerWaalsContact C-N 3.32Å; T441-K467 PolarHBondContact OG1-O 3.15Å; T441-L468 WeakPolarHBondContact OG1-CA 3.42Å; T441-H469 HydrophobicContact CG2-CB 3.82Å; T441-H469 PolarHBondContact N-O 2.96Å; T441-H469 PolarHBondContact OG1-N 3.32Å; T441-H469 PolarHBondContact OG1-O 2.93Å; T441-D471 HydrophobicContact CG2-CB 4.08Å; T441-H577 WeakPolarHBondContact CG2-CE1 3.22Å
442	D	94.6	Very high	91.7	Very high	77 Å²	77	51.1 Å²	51.1	41%	0.412	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	6.1	166.8	63	-13.8	0	0	0	113.1	G440 K444 Y446	G440-D442 PolarHBondContact O-N 2.76Å; G440-D442 VanDerWaalsContact O-N 3.1Å; D442-K444 PolarHBondContact O-N 3.09Å; D442-K444 WeakPolarHBondContact OD1-CB 3.18Å; D442-K444 PolarHBondContact OD1-N 3.22Å; D442-Y446 PolarHBondContact OD2-OH 3.26Å
443	N	95.1	Very high	92.4	Very high	112 Å²	112	46.2 Å²	46.2	60%	0.599	24%	0.242	S	C	*	.	S	Bend	trans	58.1	28.6	-175.4	-161.5	88.9	0	0	0	112.9	G440 T441 C476	G440-N443 WeakPolarHBondContact O-CA 3.48Å; G440-N443 PolarHBondContact O-N 3.13Å; T441-N443 VanDerWaalsContact C-N 3.32Å; N443-C476 VanDerWaalsContact C-SG 3.55Å
444	K	96.2	Very high	93	Very high	80 Å²	80	42.4 Å²	42.4	35%	0.348	22%	0.222	S	C	.	.			trans	-95.7	132	168.3	-168.3	-122.4	174.9	-145.9	0	109.5	G440 D442 Y446 E451 C476	G440-K444 PolarHBondContact N-O 2.84Å; D442-K444 PolarHBondContact O-N 3.09Å; D442-K444 WeakPolarHBondContact OD1-CB 3.18Å; D442-K444 PolarHBondContact OD1-N 3.22Å; K444-Y446 HydrophobicContact CB-CE2 3.98Å; K444-Y446 HydrophobicContact CD-CD1 4.08Å; K444-Y446 HydrophobicContact CD-CD2 3.86Å; K444-Y446 HydrophobicContact CD-CE1 3.76Å; K444-Y446 HydrophobicContact CD-CE2 3.54Å; K444-Y446 HydrophobicContact CD-CG 4.12Å; K444-Y446 VanDerWaalsContact CD-CZ 3.49Å; K444-Y446 HydrophobicContact CG-CE2 4.36Å; K444-Y446 VanDerWaalsContact O-CD2 3.28Å; K444-Y446 WeakPolarHBondContact O-CD2 3.26Å; K444-E451 IonicContact NZ-OE1 3.73Å; K444-E451 PolarHBondContact NZ-OE1 3.11Å; K444-E451 IonicContact NZ-OE2 3.88Å; K444-E451 PolarHBondContact NZ-OE2 3.07Å; K444-C476 PolarHBondContact O-SG 3.28Å; K444-C476 VanDerWaalsContact O-SG 3.38Å
445	T	95.8	Very high	93.5	Very high	49 Å²	49	40.2 Å²	40.2	30%	0.301	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	137.5	165.1	-57.3	0	0	0	0	109	H437 V438 P475 C476	H437-T445 HydrophobicContact CB-CG2 4.1Å; V438-T445 WeakPolarHBondContact O-CA 3.42Å; T445-P475 HydrophobicContact CG2-CB 3.97Å; T445-C476 PolarHBondContact N-SG 3.18Å; T445-C476 VanDerWaalsContact N-SG 3.44Å; T445-C476 PolarHBondContact OG1-N 3.48Å
446	Y	94.8	Very high	94.2	Very high	6 Å²	6	35.5 Å²	35.5	2%	0.024	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	143.5	169.9	-65.7	-102.2	0	0	0	108.3	H437 V438 D442 K444 T448 E451 L452 T455 L468	H437-Y446 WeakPolarHBondContact CA-O 3.45Å; V438-Y446 PolarHBondContact N-O 2.95Å; V438-Y446 PolarHBondContact O-N 3.32Å; D442-Y446 PolarHBondContact OD2-OH 3.26Å; K444-Y446 HydrophobicContact CB-CE2 3.98Å; K444-Y446 HydrophobicContact CD-CD1 4.08Å; K444-Y446 HydrophobicContact CD-CD2 3.86Å; K444-Y446 HydrophobicContact CD-CE1 3.76Å; K444-Y446 HydrophobicContact CD-CE2 3.54Å; K444-Y446 HydrophobicContact CD-CG 4.12Å; K444-Y446 VanDerWaalsContact CD-CZ 3.49Å; K444-Y446 HydrophobicContact CG-CE2 4.36Å; K444-Y446 VanDerWaalsContact O-CD2 3.28Å; K444-Y446 WeakPolarHBondContact O-CD2 3.26Å; Y446-T448 VanDerWaalsContact C-N 3.31Å; Y446-T448 PolarHBondContact O-N 2.74Å; Y446-E451 WeakPolarHBondContact CA-OE2 3.2Å; Y446-E451 WeakPolarHBondContact CB-OE2 3.25Å; Y446-E451 HydrophobicContact CD1-CB 4.33Å; Y446-E451 VanDerWaalsContact CD1-CD 3.42Å; Y446-E451 HydrophobicContact CD1-CG 4.07Å; Y446-E451 VanDerWaalsContact CD1-OE1 3.24Å; Y446-E451 WeakPolarHBondContact CD1-OE1 3.46Å; Y446-L452 HydrophobicContact CD1-CB 3.92Å; Y446-L452 HydrophobicContact CD2-CB 4.07Å; Y446-L452 HydrophobicContact CD2-CD1 3.77Å; Y446-L452 HydrophobicContact CD2-CG 4.04Å; Y446-L452 HydrophobicContact CE1-CB 4.42Å; Y446-L452 HydrophobicContact CE2-CD1 4.07Å; Y446-L452 HydrophobicContact CE2-CG 4.16Å; Y446-L452 HydrophobicContact CG-CB 3.74Å; Y446-L452 HydrophobicContact CG-CD1 4.3Å; Y446-L452 HydrophobicContact CG-CG 4.24Å; Y446-T455 HydrophobicContact CE1-CG2 4.02Å; Y446-L468 HydrophobicContact CE2-CD1 4.28Å; Y446-L468 WeakPolarHBondContact OH-CD2 3.35Å
447	D	92.8	Very high	94.5	Very high	87 Å²	87	33.7 Å²	33.7	47%	0.465	18%	0.18	S	C	.	.	S	Bend	trans	-66.4	-37.8	-173.4	-66.8	-8.8	0	0	0	110.6	S431 E436 H437 E451	S431-D447 WeakPolarHBondContact CB-O 3.39Å; E436-D447 CarbonylContact C-O 3.45Å; H437-D447 VanDerWaalsContact CA-O 3.28Å; H437-D447 WeakPolarHBondContact CA-O 3.38Å; H437-D447 PolarHBondContact CD2-O 3.44Å; H437-D447 PolarHBondContact N-O 2.87Å; D447-E451 PolarHBondContact N-OE2 3.01Å
448	T	93.3	Very high	94.6	Very high	17 Å²	17	36.2 Å²	36.2	10%	0.104	20%	0.195	C	C	.	.	S	Bend	trans	-139.3	162.7	171.6	64.1	0	0	0	0	112	P429 Y446 C450 E451 L452	P429-T448 WeakPolarHBondContact O-CG2 3.4Å; Y446-T448 VanDerWaalsContact C-N 3.31Å; Y446-T448 PolarHBondContact O-N 2.74Å; T448-C450 PolarHBondContact O-N 3.03Å; T448-C450 WeakPolarHBondContact OG1-CB 3.25Å; T448-C450 PolarHBondContact OG1-N 3.1Å; T448-E451 PolarHBondContact O-N 3.45Å; T448-E451 VanDerWaalsContact O-N 3.11Å; T448-E451 PolarHBondContact OG1-N 3.45Å; T448-L452 PolarHBondContact O-N 2.83Å
449	S	92.4	Very high	94.5	Very high	19 Å²	19	38.4 Å²	38.4	13%	0.133	21%	0.206	C	C	.	.	H	α-helix	trans	-58.1	-27.4	169.8	68.5	0	0	0	0	113.3	L377 F453	L377-S449 VanDerWaalsContact CD2-CB 3.46Å; S449-F453 WeakPolarHBondContact O-CD2 3.19Å; S449-F453 WeakPolarHBondContact O-CG 3.37Å; S449-F453 PolarHBondContact O-N 2.52Å
450	C	93.1	Very high	94.3	Very high	28 Å²	28	44.5 Å²	44.5	19%	0.189	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-51.2	172.2	-177	0	0	0	0	110.9	Q423 C428 T448 L452 F453 A454	Q423-C450 PolarHBondContact NE2-SG 3Å; Q423-C450 VanDerWaalsContact NE2-SG 3.43Å; C428-C450 VanDerWaalsContact CA-SG 3.59Å; C428-C450 HydrophobicContact CB-CB 3.68Å; C428-C450 WeakPolarHBondContact CB-SG 3.22Å; C428-C450 WeakPolarHBondContact SG-CB 3.27Å; C428-C450 CovalentContact SG-SG 2.04Å; C428-C450 PolarHBondContact SG-SG 2.86Å; T448-C450 PolarHBondContact O-N 3.03Å; T448-C450 WeakPolarHBondContact OG1-CB 3.25Å; T448-C450 PolarHBondContact OG1-N 3.1Å; C450-L452 VanDerWaalsContact C-N 3.31Å; C450-L452 PolarHBondContact O-N 3.34Å; C450-F453 PolarHBondContact O-N 2.91Å; C450-A454 VanDerWaalsContact O-CB 3.23Å; C450-A454 WeakPolarHBondContact O-CB 3.48Å; C450-A454 PolarHBondContact O-N 3.21Å
451	E	94.9	Very high	94	Very high	32 Å²	32	48.7 Å²	48.7	15%	0.15	28%	0.278	C	S	.	.	H	α-helix	trans	-57.8	-43.3	179.3	-166.1	-140.1	145.1	0	0	111.4	P425 C428 K444 Y446 D447 T448 T455	P425-E451 HydrophobicContact CB-CG 3.97Å; C428-E451 PolarHBondContact SG-N 3.19Å; K444-E451 IonicContact NZ-OE1 3.73Å; K444-E451 PolarHBondContact NZ-OE1 3.11Å; K444-E451 IonicContact NZ-OE2 3.88Å; K444-E451 PolarHBondContact NZ-OE2 3.07Å; Y446-E451 WeakPolarHBondContact CA-OE2 3.2Å; Y446-E451 WeakPolarHBondContact CB-OE2 3.25Å; Y446-E451 HydrophobicContact CD1-CB 4.33Å; Y446-E451 VanDerWaalsContact CD1-CD 3.42Å; Y446-E451 HydrophobicContact CD1-CG 4.07Å; Y446-E451 VanDerWaalsContact CD1-OE1 3.24Å; Y446-E451 WeakPolarHBondContact CD1-OE1 3.46Å; D447-E451 PolarHBondContact N-OE2 3.01Å; T448-E451 PolarHBondContact O-N 3.45Å; T448-E451 VanDerWaalsContact O-N 3.11Å; T448-E451 PolarHBondContact OG1-N 3.45Å; E451-T455 WeakPolarHBondContact O-CB 3.42Å; E451-T455 PolarHBondContact O-N 2.87Å; E451-T455 PolarHBondContact O-OG1 3.26Å
452	L	94.9	Very high	94	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-48.7	177.5	-174.4	155.1	0	0	0	111.8	V438 Y446 T448 C450 T455 K456 L470	V438-L452 HydrophobicContact CG2-CB 3.89Å; V438-L452 HydrophobicContact CG2-CD1 3.64Å; V438-L452 HydrophobicContact CG2-CG 4.41Å; Y446-L452 HydrophobicContact CD1-CB 3.92Å; Y446-L452 HydrophobicContact CD2-CB 4.07Å; Y446-L452 HydrophobicContact CD2-CD1 3.77Å; Y446-L452 HydrophobicContact CD2-CG 4.04Å; Y446-L452 HydrophobicContact CE1-CB 4.42Å; Y446-L452 HydrophobicContact CE2-CD1 4.07Å; Y446-L452 HydrophobicContact CE2-CG 4.16Å; Y446-L452 HydrophobicContact CG-CB 3.74Å; Y446-L452 HydrophobicContact CG-CD1 4.3Å; Y446-L452 HydrophobicContact CG-CG 4.24Å; T448-L452 PolarHBondContact O-N 2.83Å; C450-L452 VanDerWaalsContact C-N 3.31Å; C450-L452 PolarHBondContact O-N 3.34Å; L452-T455 PolarHBondContact O-N 2.67Å; L452-K456 WeakPolarHBondContact O-CB 3.09Å; L452-K456 PolarHBondContact O-N 3.24Å; L452-L470 HydrophobicContact CD1-CB 4.47Å; L452-L470 HydrophobicContact CD1-CD1 4.15Å; L452-L470 HydrophobicContact CD2-CB 4.39Å
453	F	94.8	Very high	93.9	Very high	21 Å²	21	54.2 Å²	54.2	9%	0.092	30%	0.299	C	S	.	.	H	α-helix	trans	-73.4	-34.6	-178	-66.2	-53.1	0	0	0	112.7	R406 G407 S449 C450 K456 C457 L470	R406-F453 HydrophobicContact CB-CB 4.2Å; R406-F453 HydrophobicContact CB-CD1 4.25Å; R406-F453 HydrophobicContact CB-CD2 4.14Å; R406-F453 HydrophobicContact CB-CG 3.94Å; R406-F453 HydrophobicContact CG-CD2 4.28Å; R406-F453 HydrophobicContact CG-CE2 4.44Å; R406-F453 VanDerWaalsContact NH1-CZ 3.32Å; G407-F453 WeakPolarHBondContact CA-O 3.48Å; S449-F453 WeakPolarHBondContact O-CD2 3.19Å; S449-F453 WeakPolarHBondContact O-CG 3.37Å; S449-F453 PolarHBondContact O-N 2.52Å; C450-F453 PolarHBondContact O-N 2.91Å; F453-K456 PolarHBondContact O-N 3.34Å; F453-C457 WeakPolarHBondContact O-CB 3.36Å; F453-C457 PolarHBondContact O-N 2.81Å; F453-L470 HydrophobicContact CE1-CB 4.43Å; F453-L470 HydrophobicContact CZ-CB 4.18Å; F453-L470 HydrophobicContact CZ-CD2 4.29Å
454	A	94.4	Very high	93.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-47.1	170.4	0	0	0	0	0	111	Q423 P425 C450 K456 C457 N458	Q423-A454 HydrophobicContact CB-CB 4.32Å; Q423-A454 WeakPolarHBondContact O-CB 3.45Å; P425-A454 HydrophobicContact CB-CB 4.43Å; P425-A454 HydrophobicContact CG-CB 3.91Å; C450-A454 VanDerWaalsContact O-CB 3.23Å; C450-A454 WeakPolarHBondContact O-CB 3.48Å; C450-A454 PolarHBondContact O-N 3.21Å; A454-K456 PolarHBondContact O-N 3.24Å; A454-C457 WeakPolarHBondContact O-CB 3.41Å; A454-C457 PolarHBondContact O-N 3.34Å; A454-C457 VanDerWaalsContact O-N 3.11Å; A454-N458 PolarHBondContact O-N 2.99Å; A454-N458 PolarHBondContact O-ND2 3.18Å
455	T	94.5	Very high	93.5	Very high	31 Å²	31	53.9 Å²	53.9	19%	0.19	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-42.4	174.5	-59.9	0	0	0	0	111.9	Y446 E451 L452 C457 N458 L459 L468	Y446-T455 HydrophobicContact CE1-CG2 4.02Å; E451-T455 WeakPolarHBondContact O-CB 3.42Å; E451-T455 PolarHBondContact O-N 2.87Å; E451-T455 PolarHBondContact O-OG1 3.26Å; L452-T455 PolarHBondContact O-N 2.67Å; T455-C457 VanDerWaalsContact C-N 3.31Å; T455-C457 PolarHBondContact O-N 3.16Å; T455-N458 PolarHBondContact O-N 3.43Å; T455-L459 HydrophobicContact CG2-CD1 4.16Å; T455-L459 WeakPolarHBondContact O-CG 2.96Å; T455-L459 PolarHBondContact O-N 3.17Å; T455-L468 HydrophobicContact CG2-CD2 4.07Å
456	K	95.1	Very high	93.2	Very high	49 Å²	49	57.9 Å²	57.9	21%	0.213	30%	0.298	C	S	.	.	H	α-helix	trans	-60.8	-40.6	173.8	-176.6	176.4	-178.2	140.2	0	111.8	L452 F453 A454 L459 E460 G465 L468 H469	L452-K456 WeakPolarHBondContact O-CB 3.09Å; L452-K456 PolarHBondContact O-N 3.24Å; F453-K456 PolarHBondContact O-N 3.34Å; A454-K456 PolarHBondContact O-N 3.24Å; K456-L459 CarbonylContact O-C 3.44Å; K456-L459 PolarHBondContact O-N 3.34Å; K456-E460 PolarHBondContact O-N 2.88Å; K456-G465 VanDerWaalsContact CE-O 3.26Å; K456-G465 WeakPolarHBondContact CE-O 3.09Å; K456-L468 HydrophobicContact CB-CD2 4.12Å; K456-L468 HydrophobicContact CB-CG 4.42Å; K456-L468 VanDerWaalsContact CD-O 3.22Å; K456-L468 WeakPolarHBondContact CD-O 3.05Å; K456-L468 VanDerWaalsContact CE-O 3.26Å; K456-L468 WeakPolarHBondContact CE-O 3.38Å; K456-L468 PolarHBondContact NZ-O 3.16Å; K456-H469 PolarHBondContact NZ-CD2 3.16Å; K456-H469 VanDerWaalsContact NZ-CD2 3.31Å; K456-H469 PolarHBondContact NZ-CE1 2.76Å; K456-H469 PolarHBondContact NZ-ND1 3.18Å; K456-H469 PolarHBondContact NZ-NE2 2.69Å
457	C	94.8	Very high	93	Very high	11 Å²	11	65.1 Å²	65.1	7%	0.074	33%	0.33	C	S	.	.	H	α-helix	trans	-64	-47.6	179.1	-163.1	0	0	0	0	112	G407 K408 C422 F453 A454 T455 L459 E460	G407-C457 WeakPolarHBondContact O-CB 3.42Å; G407-C457 PolarHBondContact O-SG 3.35Å; K408-C457 WeakPolarHBondContact CE-SG 3.11Å; K408-C457 WeakPolarHBondContact CG-SG 3.3Å; C422-C457 WeakPolarHBondContact CA-SG 3.22Å; C422-C457 HydrophobicContact CB-CB 3.72Å; C422-C457 WeakPolarHBondContact CB-SG 3.31Å; C422-C457 WeakPolarHBondContact SG-CB 3.39Å; C422-C457 PolarHBondContact SG-O 2.94Å; C422-C457 VanDerWaalsContact SG-O 3.34Å; C422-C457 CovalentContact SG-SG 2.04Å; C422-C457 PolarHBondContact SG-SG 3.32Å; F453-C457 WeakPolarHBondContact O-CB 3.36Å; F453-C457 PolarHBondContact O-N 2.81Å; A454-C457 WeakPolarHBondContact O-CB 3.41Å; A454-C457 PolarHBondContact O-N 3.34Å; A454-C457 VanDerWaalsContact O-N 3.11Å; T455-C457 VanDerWaalsContact C-N 3.31Å; T455-C457 PolarHBondContact O-N 3.16Å; C457-L459 PolarHBondContact O-N 3.49Å; C457-E460 WeakPolarHBondContact O-CB 3.23Å; C457-E460 PolarHBondContact O-N 3.3Å
458	N	93.8	Very high	93.2	Very high	90 Å²	90	61.4 Å²	61.4	48%	0.481	31%	0.31	S	S	.	.	H	α-helix	trans	-67.4	-7.5	177.4	-64.8	-30.5	0	0	0	113.4	C422 Q423 P425 A454 T455	C422-N458 WeakPolarHBondContact CB-OD1 3.45Å; Q423-N458 PolarHBondContact O-ND2 3.28Å; P425-N458 WeakPolarHBondContact CD-ND2 3.27Å; A454-N458 PolarHBondContact O-N 2.99Å; A454-N458 PolarHBondContact O-ND2 3.18Å; T455-N458 PolarHBondContact O-N 3.43Å
459	L	93.5	Very high	93.2	Very high	45 Å²	45	62.3 Å²	62.3	24%	0.236	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	8.9	172.5	-64.9	175.1	0	0	0	113.2	T455 K456 C457 T462 R464 G465 L468	T455-L459 HydrophobicContact CG2-CD1 4.16Å; T455-L459 WeakPolarHBondContact O-CG 2.96Å; T455-L459 PolarHBondContact O-N 3.17Å; K456-L459 CarbonylContact O-C 3.44Å; K456-L459 PolarHBondContact O-N 3.34Å; C457-L459 PolarHBondContact O-N 3.49Å; L459-T462 WeakPolarHBondContact O-CB 3.09Å; L459-T462 WeakPolarHBondContact O-CG2 3.42Å; L459-T462 PolarHBondContact O-N 3.19Å; L459-T462 PolarHBondContact O-OG1 3.38Å; L459-R464 HydrophobicContact CD1-CB 4.39Å; L459-G465 WeakPolarHBondContact O-CA 3.09Å; L459-L468 HydrophobicContact CD1-CD2 4.41Å
460	E	90.9	Very high	93.3	Very high	128 Å²	128	61.7 Å²	61.7	60%	0.598	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	141.5	177.3	-168.1	171.5	-143.8	0	0	110.8	K408 K456 C457 T462	K408-E460 WeakPolarHBondContact CE-OE2 3.47Å; K408-E460 IonicContact NZ-OE1 2.9Å; K408-E460 PolarHBondContact NZ-OE1 3.09Å; K408-E460 IonicContact NZ-OE2 2.64Å; K408-E460 PolarHBondContact NZ-OE2 3.35Å; K456-E460 PolarHBondContact O-N 2.88Å; C457-E460 WeakPolarHBondContact O-CB 3.23Å; C457-E460 PolarHBondContact O-N 3.3Å; E460-T462 PolarHBondContact O-N 3.46Å
461	G	89.9	Confident	93.4	Very high	88 Å²	88	61.4 Å²	61.4	91%	0.907	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-15.9	-170.3	0	0	0	0	0	115.6
462	T	94.6	Very high	93.3	Very high	58 Å²	58	60.1 Å²	60.1	36%	0.356	30%	0.299	S	S	.	.	S	Bend	trans	-87.7	152.3	176.1	78.9	0	0	0	0	112.8	L459 E460 R464 G465 Y466	L459-T462 WeakPolarHBondContact O-CB 3.09Å; L459-T462 WeakPolarHBondContact O-CG2 3.42Å; L459-T462 PolarHBondContact O-N 3.19Å; L459-T462 PolarHBondContact O-OG1 3.38Å; E460-T462 PolarHBondContact O-N 3.46Å; T462-R464 PolarHBondContact O-N 3.22Å; T462-R464 VanDerWaalsContact O-N 3.11Å; T462-R464 PolarHBondContact OG1-N 3.41Å; T462-G465 PolarHBondContact O-N 2.67Å; T462-G465 PolarHBondContact OG1-N 2.87Å; T462-Y466 PolarHBondContact O-N 3.42Å; T462-Y466 VanDerWaalsContact O-N 3.11Å
463	K	92.2	Very high	93.1	Very high	188 Å²	188	62.4 Å²	62.4	82%	0.817	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.5	170.7	-69.4	-176.4	179.8	177.7	0	113.7	K467	K463-K467 WeakPolarHBondContact O-CG 3.49Å
464	R	91.3	Very high	93	Very high	182 Å²	182	62.1 Å²	62.1	69%	0.687	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-51.6	173.6	-71	-177	68.2	175.6	-0.5	110.9	L459 T462 Y466 K467 L468	L459-R464 HydrophobicContact CD1-CB 4.39Å; T462-R464 PolarHBondContact O-N 3.22Å; T462-R464 VanDerWaalsContact O-N 3.11Å; T462-R464 PolarHBondContact OG1-N 3.41Å; R464-Y466 VanDerWaalsContact C-N 3.31Å; R464-Y466 PolarHBondContact O-N 3.5Å; R464-K467 CarbonylContact O-C 3.57Å; R464-K467 WeakPolarHBondContact O-CA 3.44Å; R464-K467 PolarHBondContact O-N 2.97Å; R464-L468 PolarHBondContact O-N 2.93Å
465	G	90.8	Very high	93	Very high	3 Å²	3	65.1 Å²	65.1	3%	0.031	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-34.3	179.3	0	0	0	0	0	113.8	K456 L459 T462 K467	K456-G465 VanDerWaalsContact CE-O 3.26Å; K456-G465 WeakPolarHBondContact CE-O 3.09Å; L459-G465 WeakPolarHBondContact O-CA 3.09Å; T462-G465 PolarHBondContact O-N 2.67Å; T462-G465 PolarHBondContact OG1-N 2.87Å; G465-K467 VanDerWaalsContact C-N 3.32Å; G465-K467 PolarHBondContact O-N 2.81Å
466	Y	90.4	Very high	93	Very high	132 Å²	132	65.2 Å²	65.2	52%	0.518	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.5	172.1	175.6	-106.2	0	0	0	113.5	T462 R464 H469 K607	T462-Y466 PolarHBondContact O-N 3.42Å; T462-Y466 VanDerWaalsContact O-N 3.11Å; R464-Y466 VanDerWaalsContact C-N 3.31Å; R464-Y466 PolarHBondContact O-N 3.5Å; Y466-H469 PolarHBondContact O-NE2 3.12Å; Y466-K607 PolarHBondContact OH-NZ 3.05Å
467	K	91.7	Very high	92.9	Very high	159 Å²	159	66.2 Å²	66.2	69%	0.691	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-27.3	175.3	-75.8	-173.7	174	-166.9	0	113.9	T441 K463 R464 G465 H469	T441-K467 PolarHBondContact OG1-O 3.15Å; K463-K467 WeakPolarHBondContact O-CG 3.49Å; R464-K467 CarbonylContact O-C 3.57Å; R464-K467 WeakPolarHBondContact O-CA 3.44Å; R464-K467 PolarHBondContact O-N 2.97Å; G465-K467 VanDerWaalsContact C-N 3.32Å; G465-K467 PolarHBondContact O-N 2.81Å; K467-H469 PolarHBondContact O-N 3.45Å
468	L	94.9	Very high	92.8	Very high	8 Å²	8	73.6 Å²	73.6	4%	0.042	38%	0.379	C	S	.	.			trans	-70.8	118.7	179	178.2	58.3	0	0	0	109.7	T441 Y446 T455 K456 L459 R464	T441-L468 WeakPolarHBondContact OG1-CA 3.42Å; Y446-L468 HydrophobicContact CE2-CD1 4.28Å; Y446-L468 WeakPolarHBondContact OH-CD2 3.35Å; T455-L468 HydrophobicContact CG2-CD2 4.07Å; K456-L468 HydrophobicContact CB-CD2 4.12Å; K456-L468 HydrophobicContact CB-CG 4.42Å; K456-L468 VanDerWaalsContact CD-O 3.22Å; K456-L468 WeakPolarHBondContact CD-O 3.05Å; K456-L468 VanDerWaalsContact CE-O 3.26Å; K456-L468 WeakPolarHBondContact CE-O 3.38Å; K456-L468 PolarHBondContact NZ-O 3.16Å; L459-L468 HydrophobicContact CD1-CD2 4.41Å; R464-L468 PolarHBondContact O-N 2.93Å
469	H	94.4	Very high	92.8	Very high	37 Å²	37	72.2 Å²	72.2	17%	0.171	37%	0.371	C	S	.	.			trans	-136.6	162.6	175.2	-81	-102.6	0	0	0	108.9	G440 T441 K456 Y466 K467 D471 H577 S578	G440-H469 WeakPolarHBondContact CA-O 3.45Å; T441-H469 HydrophobicContact CG2-CB 3.82Å; T441-H469 PolarHBondContact N-O 2.96Å; T441-H469 PolarHBondContact OG1-N 3.32Å; T441-H469 PolarHBondContact OG1-O 2.93Å; K456-H469 PolarHBondContact NZ-CD2 3.16Å; K456-H469 VanDerWaalsContact NZ-CD2 3.31Å; K456-H469 PolarHBondContact NZ-CE1 2.76Å; K456-H469 PolarHBondContact NZ-ND1 3.18Å; K456-H469 PolarHBondContact NZ-NE2 2.69Å; Y466-H469 PolarHBondContact O-NE2 3.12Å; K467-H469 PolarHBondContact O-N 3.45Å; H469-D471 PolarHBondContact O-N 3.12Å; H469-H577 HydrophobicContact CB-CB 4.1Å; H469-S578 WeakPolarHBondContact CB-OG 3.24Å; H469-S578 PolarHBondContact ND1-OG 3.35Å
470	L	94.6	Very high	92.8	Very high	6 Å²	6	74 Å²	74	3%	0.031	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.3	161.9	177.3	64.8	0	0	0	107.2	V438 L452 F453 Y472 H577 S578 A581	V438-L470 HydrophobicContact CB-CD1 3.57Å; V438-L470 HydrophobicContact CG1-CD1 3.9Å; V438-L470 HydrophobicContact CG2-CD1 4.1Å; L452-L470 HydrophobicContact CD1-CB 4.47Å; L452-L470 HydrophobicContact CD1-CD1 4.15Å; L452-L470 HydrophobicContact CD2-CB 4.39Å; F453-L470 HydrophobicContact CE1-CB 4.43Å; F453-L470 HydrophobicContact CZ-CB 4.18Å; F453-L470 HydrophobicContact CZ-CD2 4.29Å; L470-Y472 WeakPolarHBondContact CD1-O 3.48Å; L470-H577 PolarHBondContact O-ND1 3.46Å; L470-S578 PolarHBondContact N-OG 2.97Å; L470-A581 HydrophobicContact CB-CB 4.48Å; L470-A581 HydrophobicContact CD2-CB 3.79Å; L470-A581 HydrophobicContact CG-CB 3.72Å
471	D	94.4	Very high	93	Very high	21 Å²	21	76.7 Å²	76.7	11%	0.112	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-52.3	173.2	-166.7	21.5	0	0	0	110.1	C439 T441 H469 H577 A581 R584	C439-D471 PolarHBondContact O-N 2.86Å; T441-D471 HydrophobicContact CG2-CB 4.08Å; H469-D471 PolarHBondContact O-N 3.12Å; D471-H577 IonicContact OD1-CE1 2.67Å; D471-H577 PolarHBondContact OD1-CE1 2.85Å; D471-H577 VanDerWaalsContact OD1-CE1 3.25Å; D471-A581 VanDerWaalsContact O-CA 3.25Å; D471-A581 WeakPolarHBondContact O-CA 3.48Å; D471-A581 VanDerWaalsContact O-CB 3.24Å; D471-A581 WeakPolarHBondContact O-CB 3.09Å; D471-R584 WeakPolarHBondContact O-CD 3.33Å; D471-R584 PolarHBondContact O-NH1 3.28Å; D471-R584 WeakPolarHBondContact OD1-CD 3.4Å; D471-R584 IonicContact OD1-CZ 2.87Å; D471-R584 IonicContact OD1-NE 3.22Å; D471-R584 PolarHBondContact OD1-NE 3.34Å; D471-R584 VanDerWaalsContact OD1-NE 3.09Å; D471-R584 IonicContact OD1-NH1 3.57Å; D471-R584 PolarHBondContact OD1-NH1 3.16Å; D471-R584 VanDerWaalsContact OD1-NH1 3.13Å; D471-R584 IonicContact OD1-NH2 2.67Å
472	Y	92.9	Very high	93.3	Very high	6 Å²	6	73.5 Å²	73.5	2%	0.024	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	162	175.7	49.8	-83.5	0	0	0	112.2	C439 L470 C476 K477 I479	C439-Y472 HydrophobicContact CB-CD1 4.14Å; C439-Y472 HydrophobicContact CB-CD2 3.87Å; C439-Y472 HydrophobicContact CB-CE1 3.73Å; C439-Y472 HydrophobicContact CB-CE2 3.48Å; C439-Y472 VanDerWaalsContact CB-CE2 3.48Å; C439-Y472 HydrophobicContact CB-CG 4.19Å; C439-Y472 VanDerWaalsContact CB-CZ 3.41Å; C439-Y472 PolarHBondContact N-O 3.39Å; C439-Y472 PolarHBondContact SG-OH 2.83Å; C439-Y472 VanDerWaalsContact SG-OH 3.33Å; L470-Y472 WeakPolarHBondContact CD1-O 3.48Å; Y472-C476 WeakPolarHBondContact OH-CA 3.25Å; Y472-K477 HydrophobicContact CE2-CG 3.95Å; Y472-K477 PolarHBondContact OH-N 3.23Å; Y472-K477 PolarHBondContact OH-O 2.91Å; Y472-I479 HydrophobicContact CD1-CD1 4.17Å; Y472-I479 HydrophobicContact CE1-CD1 3.57Å; Y472-I479 HydrophobicContact CE1-CG1 4.42Å
473	T	92.1	Very high	93.4	Very high	48 Å²	48	74.6 Å²	74.6	29%	0.294	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	147.2	171.4	-52.8	0	0	0	0	110.6	V438	V438-T473 HydrophobicContact CG1-CG2 4.49Å
474	G	92.2	Very high	93.5	Very high	14 Å²	14	74 Å²	74	14%	0.144	37%	0.365	C	S	.	.	S	Bend	trans	95.1	164.6	-166.2	0	0	0	0	0	112.4	H437 V438 C439	H437-G474 CarbonylContact O-C 3.45Å; H437-G474 VanDerWaalsContact O-CA 3.25Å; H437-G474 WeakPolarHBondContact O-CA 3.29Å; H437-G474 PolarHBondContact O-N 3.29Å; V438-G474 CarbonylContact C-O 3.55Å; V438-G474 VanDerWaalsContact C-O 3.28Å; V438-G474 VanDerWaalsContact CA-O 3.31Å; V438-G474 WeakPolarHBondContact CA-O 3.44Å; C439-G474 PolarHBondContact N-O 2.97Å; C439-G474 VanDerWaalsContact N-O 3.17Å
475	P	93.4	Very high	93.6	Very high	63 Å²	63	71.1 Å²	71.1	41%	0.409	36%	0.363	S	S	.	.	S	Bend	trans	-66.3	155.5	176.8	29.8	-35.8	0	0	0	111.6	H437 T445 K477	H437-P475 HydrophobicContact CB-CB 4.36Å; T445-P475 HydrophobicContact CG2-CB 3.97Å; P475-K477 PolarHBondContact O-N 2.9Å
476	C	95.2	Very high	93.9	Very high	34 Å²	34	73.4 Å²	73.4	23%	0.23	37%	0.373	C	S	.	.			trans	-60.2	126.9	-178.9	-65.3	0	0	0	0	112.5	C439 N443 K444 T445 Y472	C439-C476 WeakPolarHBondContact CA-SG 3.48Å; C439-C476 HydrophobicContact CB-CB 3.99Å; C439-C476 WeakPolarHBondContact CB-SG 3.29Å; C439-C476 VanDerWaalsContact SG-CA 3.5Å; C439-C476 WeakPolarHBondContact SG-CB 3.48Å; C439-C476 CovalentContact SG-SG 2.04Å; C439-C476 PolarHBondContact SG-SG 2.92Å; N443-C476 VanDerWaalsContact C-SG 3.55Å; K444-C476 PolarHBondContact O-SG 3.28Å; K444-C476 VanDerWaalsContact O-SG 3.38Å; T445-C476 PolarHBondContact N-SG 3.18Å; T445-C476 VanDerWaalsContact N-SG 3.44Å; T445-C476 PolarHBondContact OG1-N 3.48Å; Y472-C476 WeakPolarHBondContact OH-CA 3.25Å
477	K	93.3	Very high	94.1	Very high	69 Å²	69	68.1 Å²	68.1	30%	0.3	35%	0.354	S	S	.	.			trans	-113.1	161.3	175.8	67.7	176.4	-173.8	173.4	0	110.7	Y472 P475 I479 E591	Y472-K477 HydrophobicContact CE2-CG 3.95Å; Y472-K477 PolarHBondContact OH-N 3.23Å; Y472-K477 PolarHBondContact OH-O 2.91Å; P475-K477 PolarHBondContact O-N 2.9Å; K477-I479 HydrophobicContact CG-CG1 4.37Å; K477-I479 PolarHBondContact O-N 2.75Å; K477-E591 IonicContact NZ-OE1 2.66Å; K477-E591 PolarHBondContact NZ-OE1 2.98Å
478	L	93.2	Very high	94.3	Very high	166 Å²	166	65.7 Å²	65.7	87%	0.869	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-68.5	120	166.4	-178.6	63.8	0	0	0	109.6
479	I	93.7	Very high	94.3	Very high	61 Å²	61	67.7 Å²	67.7	31%	0.313	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-93.5	124.2	173.2	-63.5	-179.3	0	0	0	109	Y472 K477 H592	Y472-I479 HydrophobicContact CD1-CD1 4.17Å; Y472-I479 HydrophobicContact CE1-CD1 3.57Å; Y472-I479 HydrophobicContact CE1-CG1 4.42Å; K477-I479 HydrophobicContact CG-CG1 4.37Å; K477-I479 PolarHBondContact O-N 2.75Å; I479-H592 HydrophobicContact CG2-CB 3.68Å
480	P	93.5	Very high	94.4	Very high	82 Å²	82	66 Å²	66	53%	0.532	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-62.1	151.5	172.9	-23.1	34.4	0	0	0	112.8	C482	P480-C482 PolarHBondContact O-N 2.98Å
481	Q	93.9	Very high	94.5	Very high	186 Å²	186	66.7 Å²	66.7	87%	0.869	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-71	124.4	171.4	-66.2	-176	1.7	0	0	110.1	V483	Q481-V483 PolarHBondContact O-N 2.78Å
482	C	96.5	Very high	94.6	Very high	20 Å²	20	67 Å²	67	14%	0.135	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-67.5	125.3	174.7	173.9	0	0	0	0	111	P480 C593 L596	P480-C482 PolarHBondContact O-N 2.98Å; C482-C593 HydrophobicContact CB-CB 3.86Å; C482-C593 WeakPolarHBondContact CB-SG 3.3Å; C482-C593 WeakPolarHBondContact SG-CA 3.48Å; C482-C593 WeakPolarHBondContact SG-CB 3.28Å; C482-C593 CovalentContact SG-SG 2.04Å; C482-C593 PolarHBondContact SG-SG 2.94Å; C482-L596 HydrophobicContact CB-CD1 4.08Å
483	V	96.3	Very high	94.8	Very high	82 Å²	82	70 Å²	70	50%	0.497	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-82.7	148.4	179.1	-176.2	0	0	0	0	109.9	Q481 N485 E486 L487	Q481-V483 PolarHBondContact O-N 2.78Å; V483-N485 HydrophobicContact CG1-CB 4.48Å; V483-N485 PolarHBondContact O-N 3.37Å; V483-N485 VanDerWaalsContact O-N 3.14Å; V483-E486 HydrophobicContact CB-CB 4.47Å; V483-E486 HydrophobicContact CB-CG 4.06Å; V483-E486 PolarHBondContact N-OE2 3.03Å; V483-E486 WeakPolarHBondContact O-CA 3.31Å; V483-E486 VanDerWaalsContact O-CB 3.26Å; V483-E486 WeakPolarHBondContact O-CB 3.43Å; V483-E486 PolarHBondContact O-N 3.23Å; V483-L487 PolarHBondContact O-N 3.27Å
484	K	94.6	Very high	95	Very high	174 Å²	174	67.7 Å²	67.7	76%	0.757	36%	0.357	S	S	*	.	H	α-helix	trans	-54.3	-37.4	179.4	-62.4	-173.2	178.1	-173.5	0	113.5	E486 L487 V488	K484-E486 VanDerWaalsContact C-N 3.26Å; K484-E486 PolarHBondContact O-N 3.44Å; K484-L487 PolarHBondContact O-N 3.24Å; K484-V488 WeakPolarHBondContact O-CG2 3.3Å; K484-V488 PolarHBondContact O-N 2.94Å
485	N	94.4	Very high	95.2	Very high	122 Å²	122	67.7 Å²	67.7	65%	0.652	35%	0.352	S	S	*	.	H	α-helix	trans	-69	-24.1	177	-61.7	3.4	0	0	0	112.9	V483 Q489	V483-N485 HydrophobicContact CG1-CB 4.48Å; V483-N485 PolarHBondContact O-N 3.37Å; V483-N485 VanDerWaalsContact O-N 3.14Å; N485-Q489 WeakPolarHBondContact O-CG 3.31Å; N485-Q489 PolarHBondContact O-NE2 3.21Å
486	E	96	Very high	95.4	Very high	52 Å²	52	65.3 Å²	65.3	24%	0.243	34%	0.336	C	S	.	.	H	α-helix	trans	-80	-45.6	173.6	-66.9	-178.5	123.5	0	0	110.5	V483 K484 V488 Q489 F490 M590 H592	V483-E486 HydrophobicContact CB-CB 4.47Å; V483-E486 HydrophobicContact CB-CG 4.06Å; V483-E486 PolarHBondContact N-OE2 3.03Å; V483-E486 WeakPolarHBondContact O-CA 3.31Å; V483-E486 VanDerWaalsContact O-CB 3.26Å; V483-E486 WeakPolarHBondContact O-CB 3.43Å; V483-E486 PolarHBondContact O-N 3.23Å; K484-E486 VanDerWaalsContact C-N 3.26Å; K484-E486 PolarHBondContact O-N 3.44Å; E486-V488 VanDerWaalsContact C-N 3.29Å; E486-V488 PolarHBondContact O-N 3.21Å; E486-Q489 CarbonylContact O-C 3.6Å; E486-Q489 WeakPolarHBondContact O-CA 3.47Å; E486-Q489 WeakPolarHBondContact O-CB 3.49Å; E486-Q489 PolarHBondContact O-N 2.92Å; E486-F490 PolarHBondContact O-N 3.2Å; E486-M590 VanDerWaalsContact CA-CE 3.41Å; E486-M590 HydrophobicContact CB-CE 3.34Å; E486-M590 HydrophobicContact CG-CE 3.81Å; E486-M590 VanDerWaalsContact O-CE 3.25Å; E486-M590 WeakPolarHBondContact O-CE 3.45Å; E486-H592 VanDerWaalsContact CD-NE2 3.3Å; E486-H592 IonicContact OE1-CE1 3.48Å; E486-H592 PolarHBondContact OE1-CE1 2.04Å; E486-H592 IonicContact OE1-NE2 3.26Å; E486-H592 PolarHBondContact OE1-NE2 3.19Å; E486-H592 IonicContact OE2-CD2 3.94Å; E486-H592 IonicContact OE2-CE1 3.36Å; E486-H592 IonicContact OE2-NE2 2.66Å; E486-H592 PolarHBondContact OE2-NE2 3.12Å
487	L	95.7	Very high	95.4	Very high	21 Å²	21	66.1 Å²	66.1	11%	0.11	34%	0.335	C	S	.	.	H	α-helix	trans	-56.9	-40	179.6	-168.4	56.3	0	0	0	112.5	V483 K484 Q489 F490 P491 C593 L596 F597 E600	V483-L487 PolarHBondContact O-N 3.27Å; K484-L487 PolarHBondContact O-N 3.24Å; L487-Q489 VanDerWaalsContact C-N 3.32Å; L487-Q489 PolarHBondContact O-N 3.48Å; L487-F490 WeakPolarHBondContact O-CB 3.46Å; L487-F490 PolarHBondContact O-N 3.42Å; L487-P491 VanDerWaalsContact O-CD 3.26Å; L487-P491 WeakPolarHBondContact O-CD 3.37Å; L487-C593 HydrophobicContact CD1-CB 4.37Å; L487-L596 HydrophobicContact CD1-CB 4.24Å; L487-L596 HydrophobicContact CD2-CB 4.46Å; L487-F597 HydrophobicContact CD1-CB 3.86Å; L487-E600 WeakPolarHBondContact CD2-OE2 3.41Å
488	V	94.6	Very high	95.6	Very high	108 Å²	108	62.8 Å²	62.8	66%	0.655	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-29.3	174.5	173.5	0	0	0	0	112.8	K484 E486 L492	K484-V488 WeakPolarHBondContact O-CG2 3.3Å; K484-V488 PolarHBondContact O-N 2.94Å; E486-V488 VanDerWaalsContact C-N 3.29Å; E486-V488 PolarHBondContact O-N 3.21Å; V488-L492 WeakPolarHBondContact O-CD1 3.43Å
489	Q	95.7	Very high	95.7	Very high	50 Å²	50	55 Å²	55	23%	0.234	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-26.8	176.9	-68	177	56.3	0	0	113.2	N485 E486 L487 L492 R493 V541 M590	N485-Q489 WeakPolarHBondContact O-CG 3.31Å; N485-Q489 PolarHBondContact O-NE2 3.21Å; E486-Q489 CarbonylContact O-C 3.6Å; E486-Q489 WeakPolarHBondContact O-CA 3.47Å; E486-Q489 WeakPolarHBondContact O-CB 3.49Å; E486-Q489 PolarHBondContact O-N 2.92Å; L487-Q489 VanDerWaalsContact C-N 3.32Å; L487-Q489 PolarHBondContact O-N 3.48Å; Q489-L492 PolarHBondContact O-N 3.13Å; Q489-L492 VanDerWaalsContact O-N 3.13Å; Q489-R493 PolarHBondContact O-N 3.2Å; Q489-R493 VanDerWaalsContact O-N 3.11Å; Q489-V541 HydrophobicContact CG-CG1 4.06Å; Q489-V541 HydrophobicContact CG-CG2 3.7Å; Q489-V541 VanDerWaalsContact OE1-CG2 3.23Å; Q489-M590 HydrophobicContact CB-CE 4.21Å
490	F	96.6	Very high	95.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-48.9	-53.2	-176.2	-176.3	-91.8	0	0	0	114	E486 L487 L492 R493 M494 M590 C593 T594 F597	E486-F490 PolarHBondContact O-N 3.2Å; L487-F490 WeakPolarHBondContact O-CB 3.46Å; L487-F490 PolarHBondContact O-N 3.42Å; F490-L492 VanDerWaalsContact C-N 3.28Å; F490-L492 PolarHBondContact O-N 2.67Å; F490-R493 PolarHBondContact O-N 2.82Å; F490-M494 HydrophobicContact CE1-CB 4.31Å; F490-M494 HydrophobicContact CE1-CE 4Å; F490-M494 HydrophobicContact CE1-CG 4.47Å; F490-M494 HydrophobicContact CE2-CE 3.98Å; F490-M494 HydrophobicContact CZ-CE 3.35Å; F490-M494 WeakPolarHBondContact O-CB 3.39Å; F490-M494 PolarHBondContact O-N 3.11Å; F490-M590 HydrophobicContact CD2-CB 4.34Å; F490-M590 WeakPolarHBondContact CD2-O 3.23Å; F490-M590 WeakPolarHBondContact CE2-O 3.48Å; F490-C593 HydrophobicContact CB-CB 4.34Å; F490-C593 HydrophobicContact CD2-CB 3.63Å; F490-C593 HydrophobicContact CE2-CB 4.17Å; F490-C593 HydrophobicContact CG-CB 4.12Å; F490-T594 WeakPolarHBondContact CE2-OG1 3.3Å; F490-T594 VanDerWaalsContact CZ-OG1 3.29Å; F490-T594 WeakPolarHBondContact CZ-OG1 3.01Å; F490-F597 HydrophobicContact CD1-CB 3.69Å; F490-F597 AromaticContact CD1-CD1 3.65Å; F490-F597 HydrophobicContact CD1-CD1 3.65Å; F490-F597 AromaticContact CD1-CD2 3.7Å; F490-F597 HydrophobicContact CD1-CD2 3.7Å; F490-F597 HydrophobicContact CD1-CE1 4.14Å; F490-F597 HydrophobicContact CD1-CE2 4.21Å; F490-F597 AromaticContact CD1-CG 3.38Å; F490-F597 HydrophobicContact CD1-CG 3.38Å; F490-F597 HydrophobicContact CD1-CZ 4.4Å; F490-F597 HydrophobicContact CE1-CB 3.78Å; F490-F597 AromaticContact CE1-CD1 3.38Å; F490-F597 HydrophobicContact CE1-CD1 3.38Å; F490-F597 HydrophobicContact CE1-CD2 4.31Å; F490-F597 AromaticContact CE1-CE1 3.98Å; F490-F597 HydrophobicContact CE1-CE1 3.98Å; F490-F597 AromaticContact CE1-CG 3.55Å; F490-F597 HydrophobicContact CE1-CG 3.55Å; F490-F597 HydrophobicContact CG-CB 4.46Å; F490-F597 HydrophobicContact CG-CG 4.46Å
491	P	96.9	Very high	95.8	Very high	22 Å²	22	49.1 Å²	49.1	14%	0.143	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-33	-179.2	21.6	-32.6	0	0	0	113.5	L487 R495 F597 F618	L487-P491 VanDerWaalsContact O-CD 3.26Å; L487-P491 WeakPolarHBondContact O-CD 3.37Å; P491-R495 WeakPolarHBondContact O-CB 3.46Å; P491-R495 PolarHBondContact O-N 2.99Å; P491-R495 VanDerWaalsContact O-N 3.1Å; P491-F597 HydrophobicContact CB-CE2 3.71Å; P491-F597 HydrophobicContact CB-CZ 3.84Å; P491-F597 HydrophobicContact CG-CE2 3.88Å; P491-F618 HydrophobicContact CB-CD1 4.35Å
492	L	96.6	Very high	95.8	Very high	28 Å²	28	40.3 Å²	40.3	15%	0.147	20%	0.203	C	C	.	.	H	α-helix	trans	-69.7	-47.2	177.9	-68.2	119.2	0	0	0	111.5	V488 Q489 F490 D496 V541 L544 A545	V488-L492 WeakPolarHBondContact O-CD1 3.43Å; Q489-L492 PolarHBondContact O-N 3.13Å; Q489-L492 VanDerWaalsContact O-N 3.13Å; F490-L492 VanDerWaalsContact C-N 3.28Å; F490-L492 PolarHBondContact O-N 2.67Å; L492-D496 PolarHBondContact O-N 3.48Å; L492-V541 HydrophobicContact CD1-CG1 4.1Å; L492-L544 HydrophobicContact CB-CB 4.3Å; L492-L544 HydrophobicContact CD2-CB 4.31Å; L492-A545 HydrophobicContact CD2-CB 3.75Å
493	R	96.8	Very high	95.7	Very high	68 Å²	68	39.6 Å²	39.6	26%	0.257	20%	0.198	S	C	.	.	H	α-helix	trans	-71.3	-42	-179.2	-65	-174.2	-172.4	-74.7	0.9	112.2	Q489 F490 D496 W497 H539 L544 P589 M590	Q489-R493 PolarHBondContact O-N 3.2Å; Q489-R493 VanDerWaalsContact O-N 3.11Å; F490-R493 PolarHBondContact O-N 2.82Å; R493-D496 PolarHBondContact O-N 3.09Å; R493-W497 VanDerWaalsContact O-CB 3.28Å; R493-W497 WeakPolarHBondContact O-CB 3.29Å; R493-W497 PolarHBondContact O-N 3.31Å; R493-H539 PolarHBondContact NH1-O 3.25Å; R493-L544 HydrophobicContact CG-CD1 4.01Å; R493-P589 HydrophobicContact CB-CB 4.12Å; R493-P589 HydrophobicContact CB-CG 4.2Å; R493-M590 WeakPolarHBondContact CD-SD 3.01Å
494	M	96.4	Very high	95.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59	-46.7	174.2	176.3	63.5	76.1	0	0	110.8	F490 D496 W497 L498 L583 V588 F618	F490-M494 HydrophobicContact CE1-CB 4.31Å; F490-M494 HydrophobicContact CE1-CE 4Å; F490-M494 HydrophobicContact CE1-CG 4.47Å; F490-M494 HydrophobicContact CE2-CE 3.98Å; F490-M494 HydrophobicContact CZ-CE 3.35Å; F490-M494 WeakPolarHBondContact O-CB 3.39Å; F490-M494 PolarHBondContact O-N 3.11Å; M494-D496 PolarHBondContact O-N 3.33Å; M494-W497 WeakPolarHBondContact O-CB 3.38Å; M494-W497 PolarHBondContact O-N 3.23Å; M494-W497 HydrophobicContact SD-CE3 3.7Å; M494-W497 HydrophobicContact SD-CZ3 4Å; M494-L498 HydrophobicContact CG-CD1 4.28Å; M494-L498 HydrophobicContact CG-CG 4.38Å; M494-L498 VanDerWaalsContact O-CG 3.3Å; M494-L498 WeakPolarHBondContact O-CG 3.44Å; M494-L498 PolarHBondContact O-N 3.47Å; M494-L498 HydrophobicContact SD-CD1 4.42Å; M494-L498 HydrophobicContact SD-CD2 4.29Å; M494-L498 HydrophobicContact SD-CG 4.11Å; M494-L583 HydrophobicContact CE-CB 4.35Å; M494-L583 HydrophobicContact CE-CD2 4.1Å; M494-L583 HydrophobicContact SD-CD2 4.15Å; M494-V588 HydrophobicContact CE-CG1 3.41Å; M494-V588 VanDerWaalsContact CE-CG1 3.41Å; M494-V588 HydrophobicContact SD-CG1 4.36Å; M494-F618 HydrophobicContact CB-CE1 3.87Å; M494-F618 HydrophobicContact CG-CE1 3.44Å; M494-F618 VanDerWaalsContact CG-CE1 3.44Å; M494-F618 HydrophobicContact CG-CZ 3.63Å
495	R	96.5	Very high	95.4	Very high	13 Å²	13	31.8 Å²	31.8	5%	0.049	16%	0.159	C	C	.	.	H	α-helix	trans	-64.8	-37.9	-179	-178.4	179	63.1	-134.1	-5.6	113.4	P491 K499 F548 Y555 V559 F618	P491-R495 WeakPolarHBondContact O-CB 3.46Å; P491-R495 PolarHBondContact O-N 2.99Å; P491-R495 VanDerWaalsContact O-N 3.1Å; R495-K499 PolarHBondContact O-N 3.07Å; R495-F548 VanDerWaalsContact CZ-CD2 3.46Å; R495-F548 VanDerWaalsContact NH2-CG 3.31Å; R495-Y555 HydrophobicContact CG-CD1 3.47Å; R495-Y555 VanDerWaalsContact CG-CD1 3.47Å; R495-Y555 HydrophobicContact CG-CE1 4.07Å; R495-Y555 HydrophobicContact CG-CG 4.05Å; R495-V559 HydrophobicContact CG-CG2 4.2Å; R495-F618 HydrophobicContact CB-CD1 4.3Å; R495-F618 PolarHBondContact NH1-O 3.43Å
496	D	96.7	Very high	95.3	Very high	14 Å²	14	27 Å²	27	8%	0.075	13%	0.132	C	C	.	.	H	α-helix	trans	-66.9	-44.2	170.9	178.7	67.4	0	0	0	112.2	L492 R493 M494 L498 K499 N500 L544	L492-D496 PolarHBondContact O-N 3.48Å; R493-D496 PolarHBondContact O-N 3.09Å; M494-D496 PolarHBondContact O-N 3.33Å; D496-L498 PolarHBondContact O-N 3.06Å; D496-K499 WeakPolarHBondContact O-CB 3.35Å; D496-K499 PolarHBondContact O-N 3.5Å; D496-K499 WeakPolarHBondContact OD1-CE 3.39Å; D496-K499 IonicContact OD1-NZ 3.37Å; D496-K499 PolarHBondContact OD1-NZ 3.21Å; D496-N500 PolarHBondContact O-N 2.88Å; D496-N500 PolarHBondContact O-ND2 3.25Å; D496-N500 VanDerWaalsContact O-ND2 3.11Å; D496-N500 PolarHBondContact OD1-ND2 3.37Å; D496-N500 VanDerWaalsContact OD1-ND2 3.16Å; D496-N500 PolarHBondContact OD2-ND2 3.4Å; D496-L544 HydrophobicContact CB-CD2 3.78Å
497	W	96.2	Very high	95.2	Very high	50 Å²	50	28.6 Å²	28.6	19%	0.189	14%	0.139	C	C	.	.	H	α-helix	trans	-58.5	-43.4	175.1	-179.9	88	0	0	0	112.1	R493 M494 K499 N500 V501 L583 L587 V588 P589	R493-W497 VanDerWaalsContact O-CB 3.28Å; R493-W497 WeakPolarHBondContact O-CB 3.29Å; R493-W497 PolarHBondContact O-N 3.31Å; M494-W497 WeakPolarHBondContact O-CB 3.38Å; M494-W497 PolarHBondContact O-N 3.23Å; M494-W497 HydrophobicContact SD-CE3 3.7Å; M494-W497 HydrophobicContact SD-CZ3 4Å; W497-K499 PolarHBondContact O-N 2.71Å; W497-N500 PolarHBondContact O-N 2.96Å; W497-V501 HydrophobicContact CD2-CG2 3.94Å; W497-V501 HydrophobicContact CE3-CG2 4.38Å; W497-V501 HydrophobicContact CG-CG2 4.38Å; W497-V501 HydrophobicContact CH2-CG2 4.39Å; W497-V501 HydrophobicContact CZ2-CG2 3.98Å; W497-V501 WeakPolarHBondContact O-CB 3.34Å; W497-V501 VanDerWaalsContact O-CG2 3.31Å; W497-V501 WeakPolarHBondContact O-CG2 3.42Å; W497-V501 PolarHBondContact O-N 3.18Å; W497-L583 HydrophobicContact CZ3-CD2 4.12Å; W497-L587 PolarHBondContact NE1-O 2.86Å; W497-V588 HydrophobicContact CH2-CG2 3.73Å; W497-V588 HydrophobicContact CZ2-CB 4.46Å; W497-V588 HydrophobicContact CZ2-CG2 3.81Å; W497-V588 HydrophobicContact CZ3-CG2 4.39Å; W497-P589 HydrophobicContact CB-CG 3.88Å; W497-P589 HydrophobicContact CG-CG 4.02Å
498	L	96.1	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-41.4	175.5	-69.4	-178.4	0	0	0	112.9	M494 D496 L502 P558 Q562 W614	M494-L498 HydrophobicContact CG-CD1 4.28Å; M494-L498 HydrophobicContact CG-CG 4.38Å; M494-L498 VanDerWaalsContact O-CG 3.3Å; M494-L498 WeakPolarHBondContact O-CG 3.44Å; M494-L498 PolarHBondContact O-N 3.47Å; M494-L498 HydrophobicContact SD-CD1 4.42Å; M494-L498 HydrophobicContact SD-CD2 4.29Å; M494-L498 HydrophobicContact SD-CG 4.11Å; D496-L498 PolarHBondContact O-N 3.06Å; L498-L502 WeakPolarHBondContact O-CB 3.3Å; L498-L502 PolarHBondContact O-N 3.3Å; L498-P558 HydrophobicContact CB-CB 4.41Å; L498-Q562 HydrophobicContact CD1-CB 3.92Å; L498-Q562 HydrophobicContact CD1-CG 3.98Å; L498-Q562 HydrophobicContact CD2-CB 3.81Å; L498-Q562 VanDerWaalsContact CD2-CD 3.43Å; L498-Q562 HydrophobicContact CD2-CG 3.42Å; L498-Q562 VanDerWaalsContact CD2-CG 3.42Å; L498-Q562 HydrophobicContact CG-CB 4.42Å; L498-Q562 HydrophobicContact CG-CG 4.35Å; L498-W614 HydrophobicContact CD1-CZ2 4.23Å
499	K	95.8	Very high	94.7	Very high	1 Å²	1	27 Å²	27	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-59.1	-49.7	171.8	172.8	-159.1	64.6	-175.6	0	110.4	R495 D496 W497 L502 L503 L534 D547 Y555 P558	R495-K499 PolarHBondContact O-N 3.07Å; D496-K499 WeakPolarHBondContact O-CB 3.35Å; D496-K499 PolarHBondContact O-N 3.5Å; D496-K499 WeakPolarHBondContact OD1-CE 3.39Å; D496-K499 IonicContact OD1-NZ 3.37Å; D496-K499 PolarHBondContact OD1-NZ 3.21Å; W497-K499 PolarHBondContact O-N 2.71Å; K499-L502 PolarHBondContact O-N 3.41Å; K499-L503 HydrophobicContact CD-CD1 4.45Å; K499-L503 HydrophobicContact CG-CD1 3.88Å; K499-L503 WeakPolarHBondContact O-CD1 3.31Å; K499-L503 VanDerWaalsContact O-CG 3.29Å; K499-L503 WeakPolarHBondContact O-CG 3.46Å; K499-L503 PolarHBondContact O-N 2.92Å; K499-L503 VanDerWaalsContact O-N 3.09Å; K499-L534 PolarHBondContact NZ-O 3.04Å; K499-D547 IonicContact NZ-OD2 3.13Å; K499-Y555 HydrophobicContact CB-CD1 4.12Å; K499-Y555 HydrophobicContact CB-CE1 3.79Å; K499-Y555 HydrophobicContact CD-CD1 4.48Å; K499-Y555 HydrophobicContact CD-CE1 3.67Å; K499-Y555 HydrophobicContact CG-CE1 4.2Å; K499-Y555 PolarHBondContact NZ-OH 3.43Å; K499-P558 HydrophobicContact CB-CB 4.45Å; K499-P558 HydrophobicContact CB-CG 4.18Å
500	N	95.3	Very high	94.3	Very high	15 Å²	15	27.2 Å²	27.2	8%	0.08	13%	0.131	C	C	.	.	H	α-helix	trans	-70.1	-39.7	-174.4	-67.2	-35.5	0	0	0	112.9	D496 W497 L502 L503 Q504 A536	D496-N500 PolarHBondContact O-N 2.88Å; D496-N500 PolarHBondContact O-ND2 3.25Å; D496-N500 VanDerWaalsContact O-ND2 3.11Å; D496-N500 PolarHBondContact OD1-ND2 3.37Å; D496-N500 VanDerWaalsContact OD1-ND2 3.16Å; D496-N500 PolarHBondContact OD2-ND2 3.4Å; W497-N500 PolarHBondContact O-N 2.96Å; N500-L502 VanDerWaalsContact C-N 3.31Å; N500-L502 PolarHBondContact O-N 3.25Å; N500-L503 PolarHBondContact O-N 2.94Å; N500-Q504 WeakPolarHBondContact O-CG 3.48Å; N500-Q504 PolarHBondContact O-N 3.39Å; N500-A536 HydrophobicContact CB-CB 4.16Å
501	V	93.9	Very high	93.9	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.036	17%	0.168	C	C	.	.	H	α-helix	trans	-57.7	-43.1	171.6	163.3	0	0	0	0	111.5	N367 W497 L503 L505 W561	N367-V501 HydrophobicContact CB-CG1 3.83Å; N367-V501 VanDerWaalsContact ND2-CG1 3.31Å; N367-V501 WeakPolarHBondContact ND2-CG1 3.47Å; W497-V501 HydrophobicContact CD2-CG2 3.94Å; W497-V501 HydrophobicContact CE3-CG2 4.38Å; W497-V501 HydrophobicContact CG-CG2 4.38Å; W497-V501 HydrophobicContact CH2-CG2 4.39Å; W497-V501 HydrophobicContact CZ2-CG2 3.98Å; W497-V501 WeakPolarHBondContact O-CB 3.34Å; W497-V501 VanDerWaalsContact O-CG2 3.31Å; W497-V501 WeakPolarHBondContact O-CG2 3.42Å; W497-V501 PolarHBondContact O-N 3.18Å; V501-L503 VanDerWaalsContact C-N 3.34Å; V501-L505 HydrophobicContact CG1-CD1 4.43Å; V501-L505 WeakPolarHBondContact O-CG 3.32Å; V501-L505 PolarHBondContact O-N 3.28Å; V501-W561 HydrophobicContact CG1-CH2 4.41Å; V501-W561 HydrophobicContact CG1-CZ3 4.46Å
502	L	94.2	Very high	93.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-70.8	-29.6	-179.9	-176.4	53.5	0	0	0	112.7	L498 K499 N500 Y506 L516 V524 Y557 P558 W561	L498-L502 WeakPolarHBondContact O-CB 3.3Å; L498-L502 PolarHBondContact O-N 3.3Å; K499-L502 PolarHBondContact O-N 3.41Å; N500-L502 VanDerWaalsContact C-N 3.31Å; N500-L502 PolarHBondContact O-N 3.25Å; L502-Y506 PolarHBondContact O-N 3.08Å; L502-L516 HydrophobicContact CD1-CD2 4.07Å; L502-V524 HydrophobicContact CD1-CG2 3.64Å; L502-V524 HydrophobicContact CD2-CG2 3.93Å; L502-V524 HydrophobicContact CG-CG1 4.25Å; L502-V524 HydrophobicContact CG-CG2 3.58Å; L502-Y557 HydrophobicContact CD2-CD1 3.99Å; L502-Y557 HydrophobicContact CD2-CE1 3.82Å; L502-P558 HydrophobicContact CD2-CB 4.11Å; L502-P558 HydrophobicContact CD2-CG 4.1Å; L502-W561 HydrophobicContact CB-CE3 4.28Å; L502-W561 HydrophobicContact CB-CZ3 4.33Å; L502-W561 HydrophobicContact CD1-CD2 3.65Å; L502-W561 HydrophobicContact CD1-CE3 4.01Å; L502-W561 HydrophobicContact CD1-CG 4.1Å; L502-W561 HydrophobicContact CD1-CH2 4.27Å; L502-W561 HydrophobicContact CD1-CZ2 3.9Å; L502-W561 HydrophobicContact CD1-CZ3 4.31Å; L502-W561 HydrophobicContact CD2-CB 4.11Å; L502-W561 HydrophobicContact CD2-CD2 3.97Å; L502-W561 HydrophobicContact CD2-CE3 4.06Å; L502-W561 HydrophobicContact CD2-CG 4Å; L502-W561 HydrophobicContact CG-CD2 4.33Å; L502-W561 HydrophobicContact CG-CE3 4.35Å
503	L	94	Very high	93	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-72.8	-45.6	173.9	-69.5	162.4	0	0	0	111.9	K499 N500 V501 L505 Y506 E507 V524 I527 F528	K499-L503 HydrophobicContact CD-CD1 4.45Å; K499-L503 HydrophobicContact CG-CD1 3.88Å; K499-L503 WeakPolarHBondContact O-CD1 3.31Å; K499-L503 VanDerWaalsContact O-CG 3.29Å; K499-L503 WeakPolarHBondContact O-CG 3.46Å; K499-L503 PolarHBondContact O-N 2.92Å; K499-L503 VanDerWaalsContact O-N 3.09Å; N500-L503 PolarHBondContact O-N 2.94Å; V501-L503 VanDerWaalsContact C-N 3.34Å; L503-L505 PolarHBondContact O-N 3.31Å; L503-Y506 WeakPolarHBondContact O-CA 3.48Å; L503-Y506 WeakPolarHBondContact O-CB 3.18Å; L503-Y506 PolarHBondContact O-N 3.2Å; L503-E507 PolarHBondContact O-N 3.46Å; L503-V524 HydrophobicContact CD2-CG1 3.95Å; L503-I527 HydrophobicContact CD2-CB 4.31Å; L503-I527 HydrophobicContact CD2-CG2 4.11Å; L503-F528 HydrophobicContact CD2-CB 3.76Å; L503-F528 HydrophobicContact CD2-CD2 4.08Å; L503-F528 HydrophobicContact CD2-CG 4.44Å
504	Q	93.2	Very high	92.3	Very high	91 Å²	91	36.7 Å²	36.7	43%	0.425	21%	0.205	S	C	.	.	H	α-helix	trans	-57.7	-38.3	172.9	-72	173.8	-19.8	0	0	111.7	N500 Y506 E507 H508	N500-Q504 WeakPolarHBondContact O-CG 3.48Å; N500-Q504 PolarHBondContact O-N 3.39Å; Q504-Y506 VanDerWaalsContact C-N 3.31Å; Q504-Y506 PolarHBondContact O-N 3.05Å; Q504-E507 PolarHBondContact O-N 3.43Å; Q504-H508 WeakPolarHBondContact O-CB 3.49Å; Q504-H508 PolarHBondContact O-CD2 3Å; Q504-H508 PolarHBondContact O-N 2.97Å
505	L	91.6	Very high	91.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-35.3	171.7	-85.9	170.5	0	0	0	113.9	V366 P368 V501 L503 D509 F515 W561	V366-L505 WeakPolarHBondContact O-CD2 3.48Å; P368-L505 HydrophobicContact CG-CD2 4.44Å; V501-L505 HydrophobicContact CG1-CD1 4.43Å; V501-L505 WeakPolarHBondContact O-CG 3.32Å; V501-L505 PolarHBondContact O-N 3.28Å; L503-L505 PolarHBondContact O-N 3.31Å; L505-D509 VanDerWaalsContact O-CB 3.29Å; L505-D509 WeakPolarHBondContact O-CB 3.26Å; L505-D509 PolarHBondContact O-N 3.16Å; L505-F515 HydrophobicContact CD2-CB 4.1Å; L505-W561 HydrophobicContact CD1-CH2 3.38Å; L505-W561 HydrophobicContact CD1-CZ2 3.41Å; L505-W561 VanDerWaalsContact CD1-CZ2 3.41Å
506	Y	93.4	Very high	91.4	Very high	21 Å²	21	38.5 Å²	38.5	8%	0.082	21%	0.214	C	C	.	.	H	α-helix	trans	-76	-35.5	178.2	169.2	-88.6	0	0	0	112.8	L502 L503 Q504 S510 L516 R521 V524 K525 F528	L502-Y506 PolarHBondContact O-N 3.08Å; L503-Y506 WeakPolarHBondContact O-CA 3.48Å; L503-Y506 WeakPolarHBondContact O-CB 3.18Å; L503-Y506 PolarHBondContact O-N 3.2Å; Q504-Y506 VanDerWaalsContact C-N 3.31Å; Q504-Y506 PolarHBondContact O-N 3.05Å; Y506-S510 WeakPolarHBondContact O-CB 2.89Å; Y506-S510 PolarHBondContact O-N 2.86Å; Y506-S510 VanDerWaalsContact O-N 3.11Å; Y506-S510 PolarHBondContact O-OG 3.02Å; Y506-L516 HydrophobicContact CD2-CD1 4.18Å; Y506-R521 HydrophobicContact CD2-CG 3.75Å; Y506-R521 HydrophobicContact CE2-CG 3.56Å; Y506-V524 VanDerWaalsContact CB-CG1 3.45Å; Y506-V524 HydrophobicContact CD2-CB 3.97Å; Y506-V524 HydrophobicContact CD2-CG1 4.16Å; Y506-V524 HydrophobicContact CG-CB 4.17Å; Y506-V524 HydrophobicContact CG-CG1 3.83Å; Y506-K525 HydrophobicContact CE2-CB 3.69Å; Y506-K525 HydrophobicContact CE2-CG 4.45Å; Y506-K525 WeakPolarHBondContact OH-CG 3.37Å; Y506-F528 HydrophobicContact CD1-CB 4.02Å; Y506-F528 HydrophobicContact CD1-CD1 4.36Å; Y506-F528 AromaticContact CD1-CD2 3.91Å; Y506-F528 HydrophobicContact CD1-CD2 3.91Å; Y506-F528 AromaticContact CD1-CG 3.82Å; Y506-F528 HydrophobicContact CD1-CG 3.82Å; Y506-F528 HydrophobicContact CE1-CB 3.94Å; Y506-F528 AromaticContact CE1-CD1 3.76Å; Y506-F528 HydrophobicContact CE1-CD1 3.76Å; Y506-F528 HydrophobicContact CE1-CD2 4.15Å; Y506-F528 HydrophobicContact CE1-CE1 4.31Å; Y506-F528 AromaticContact CE1-CG 3.67Å; Y506-F528 HydrophobicContact CE1-CG 3.67Å
507	E	92.2	Very high	91.2	Very high	85 Å²	85	39.4 Å²	39.4	40%	0.397	22%	0.22	S	C	.	.	H	α-helix	trans	-60.4	-49.8	169	-68.4	160.6	-151.8	0	0	109.7	L503 Q504 S510 V511 F528	L503-E507 PolarHBondContact O-N 3.46Å; Q504-E507 PolarHBondContact O-N 3.43Å; E507-S510 WeakPolarHBondContact O-CB 2.77Å; E507-S510 PolarHBondContact O-N 2.82Å; E507-S510 VanDerWaalsContact O-N 3.14Å; E507-V511 PolarHBondContact O-N 3.16Å; E507-F528 HydrophobicContact CG-CD2 4.35Å; E507-F528 HydrophobicContact CG-CE2 3.65Å; E507-F528 HydrophobicContact CG-CZ 4.36Å; E507-F528 WeakPolarHBondContact OE1-CE2 3.4Å
508	H	90.4	Very high	90.9	Very high	93 Å²	93	42.7 Å²	42.7	43%	0.431	25%	0.247	S	C	.	.	H	α-helix	trans	-63.2	-44.4	177.3	-75.9	-145.7	0	0	0	112.9	Q504 S510 V511 S512 F515	Q504-H508 WeakPolarHBondContact O-CB 3.49Å; Q504-H508 PolarHBondContact O-CD2 3Å; Q504-H508 PolarHBondContact O-N 2.97Å; H508-S510 PolarHBondContact O-N 3.31Å; H508-V511 PolarHBondContact O-N 3.11Å; H508-V511 VanDerWaalsContact O-N 3.09Å; H508-S512 PolarHBondContact O-N 2.68Å; H508-F515 HydrophobicContact CB-CD2 4.27Å; H508-F515 HydrophobicContact CB-CE2 4.46Å
509	D	89.8	Confident	90.7	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-19.8	175.5	-171.5	80.5	0	0	0	113.1	L505 S512 P513 G514 F515 L516 R521	L505-D509 VanDerWaalsContact O-CB 3.29Å; L505-D509 WeakPolarHBondContact O-CB 3.26Å; L505-D509 PolarHBondContact O-N 3.16Å; D509-S512 WeakPolarHBondContact CA-O 3.34Å; D509-P513 WeakPolarHBondContact O-CA 3.41Å; D509-G514 PolarHBondContact OD1-N 3.27Å; D509-F515 HydrophobicContact CB-CB 4.27Å; D509-F515 PolarHBondContact OD1-N 3.02Å; D509-L516 HydrophobicContact CB-CB 4.4Å; D509-L516 HydrophobicContact CB-CD1 4.37Å; D509-L516 HydrophobicContact CB-CG 4.3Å; D509-L516 PolarHBondContact OD1-N 2.96Å; D509-R521 PolarHBondContact O-NH1 3.37Å; D509-R521 VanDerWaalsContact O-NH1 3.08Å; D509-R521 VanDerWaalsContact OD2-CD 3.29Å; D509-R521 WeakPolarHBondContact OD2-CD 3.28Å; D509-R521 IonicContact OD2-CZ 3.47Å; D509-R521 IonicContact OD2-NE 3.75Å; D509-R521 IonicContact OD2-NH1 3.41Å; D509-R521 PolarHBondContact OD2-NH1 3.25Å
510	S	86.8	Confident	90.6	Very high	54 Å²	54	49.4 Å²	49.4	38%	0.378	28%	0.276	S	S	.	.	H	α-helix	trans	-80.7	-21.7	175.3	-61.1	0	0	0	0	113.6	Y506 E507 H508 R521	Y506-S510 WeakPolarHBondContact O-CB 2.89Å; Y506-S510 PolarHBondContact O-N 2.86Å; Y506-S510 VanDerWaalsContact O-N 3.11Å; Y506-S510 PolarHBondContact O-OG 3.02Å; E507-S510 WeakPolarHBondContact O-CB 2.77Å; E507-S510 PolarHBondContact O-N 2.82Å; E507-S510 VanDerWaalsContact O-N 3.14Å; H508-S510 PolarHBondContact O-N 3.31Å; S510-R521 PolarHBondContact OG-NH2 3.23Å
511	V	89.3	Confident	90.4	Very high	130 Å²	130	52.4 Å²	52.4	79%	0.788	29%	0.287	S	S	*	.	H	α-helix	trans	-95.7	-42.7	172.2	-177.7	0	0	0	0	111.5	E507 H508	E507-V511 PolarHBondContact O-N 3.16Å; H508-V511 PolarHBondContact O-N 3.11Å; H508-V511 VanDerWaalsContact O-N 3.09Å
512	S	88	Confident	90.3	Very high	71 Å²	71	58 Å²	58	50%	0.497	31%	0.311	S	S	.	.	S	Bend	trans	-127.4	92.6	-179	-163.7	0	0	0	0	109.7	H508 D509 G514 F515	H508-S512 PolarHBondContact O-N 2.68Å; D509-S512 WeakPolarHBondContact CA-O 3.34Å; S512-G514 PolarHBondContact O-N 3.11Å; S512-F515 WeakPolarHBondContact O-CD2 3.47Å
513	P	85.9	Confident	90.3	Very high	102 Å²	102	62.5 Å²	62.5	66%	0.662	33%	0.327	S	S	*	.	S	Bend	trans	-71.9	125.8	-170.8	27.8	-34.6	0	0	0	112	D509	D509-P513 WeakPolarHBondContact O-CA 3.41Å
514	G	83.4	Confident	90.3	Very high	15 Å²	15	62.2 Å²	62.2	16%	0.155	33%	0.326	C	S	.	.			trans	154.1	-3.5	-178.8	0	0	0	0	0	115.5	L363 V364 D509 S512	L363-G514 CarbonylContact C-O 3.55Å; V364-G514 WeakPolarHBondContact CA-O 3.5Å; V364-G514 WeakPolarHBondContact CG2-O 3.22Å; V364-G514 PolarHBondContact N-O 3.21Å; D509-G514 PolarHBondContact OD1-N 3.27Å; S512-G514 PolarHBondContact O-N 3.11Å
515	F	83.6	Confident	90.4	Very high	42 Å²	42	61.9 Å²	61.9	18%	0.184	32%	0.323	C	S	.	.	S	Bend	trans	-97.2	-18.7	-179.7	-56.3	-58.6	0	0	0	113.4	V364 G365 I371 L505 H508 D509 S512	V364-F515 CarbonylContact C-O 3.57Å; V364-F515 WeakPolarHBondContact CA-O 3.26Å; G365-F515 PolarHBondContact N-O 3.48Å; I371-F515 HydrophobicContact CD1-CD1 3.94Å; I371-F515 HydrophobicContact CD1-CE1 3.36Å; I371-F515 HydrophobicContact CD1-CZ 3.9Å; I371-F515 HydrophobicContact CG1-CE1 4.38Å; L505-F515 HydrophobicContact CD2-CB 4.1Å; H508-F515 HydrophobicContact CB-CD2 4.27Å; H508-F515 HydrophobicContact CB-CE2 4.46Å; D509-F515 HydrophobicContact CB-CB 4.27Å; D509-F515 PolarHBondContact OD1-N 3.02Å; S512-F515 WeakPolarHBondContact O-CD2 3.47Å
516	L	90.1	Very high	90.5	Very high	9 Å²	9	68.2 Å²	68.2	5%	0.047	35%	0.351	C	S	.	.	S	Bend	trans	-127.5	142	175.9	-64.1	177.5	0	0	0	112	L502 Y506 D509 Q520 R521 V524	L502-L516 HydrophobicContact CD1-CD2 4.07Å; Y506-L516 HydrophobicContact CD2-CD1 4.18Å; D509-L516 HydrophobicContact CB-CB 4.4Å; D509-L516 HydrophobicContact CB-CD1 4.37Å; D509-L516 HydrophobicContact CB-CG 4.3Å; D509-L516 PolarHBondContact OD1-N 2.96Å; L516-Q520 HydrophobicContact CB-CB 4.2Å; L516-Q520 HydrophobicContact CD2-CB 4.2Å; L516-R521 HydrophobicContact CB-CB 4.08Å; L516-R521 HydrophobicContact CD1-CB 4.49Å; L516-V524 HydrophobicContact CD1-CG2 4.17Å
517	T	91.3	Very high	90.6	Very high	33 Å²	33	67.8 Å²	67.8	20%	0.202	35%	0.35	C	S	.	.			trans	-67.2	155.3	168.1	77.5	0	0	0	0	109.5	V364 K519 Q520 R521	V364-T517 HydrophobicContact CG1-CG2 3.64Å; V364-T517 VanDerWaalsContact CG1-N 3.32Å; T517-K519 PolarHBondContact O-N 3.34Å; T517-K519 PolarHBondContact OG1-N 2.84Å; T517-Q520 HydrophobicContact CG2-CG 4.3Å; T517-Q520 PolarHBondContact O-N 2.71Å; T517-Q520 WeakPolarHBondContact OG1-CG 3.15Å; T517-Q520 PolarHBondContact OG1-N 2.76Å; T517-Q520 VanDerWaalsContact OG1-N 3.08Å; T517-R521 WeakPolarHBondContact O-CB 3.22Å; T517-R521 PolarHBondContact O-N 3.48Å
518	P	91.2	Very high	90.7	Very high	118 Å²	118	67 Å²	67	77%	0.766	35%	0.345	S	S	*	.	H	α-helix	trans	-54.2	-29.8	174.7	-29	36.3	0	0	0	114.1	F522	P518-F522 WeakPolarHBondContact O-CB 3.47Å; P518-F522 PolarHBondContact O-N 3.09Å; P518-F522 VanDerWaalsContact O-N 3.16Å
519	K	91.4	Very high	90.9	Very high	139 Å²	139	68.1 Å²	68.1	60%	0.604	35%	0.351	S	S	*	.	H	α-helix	trans	-73.8	-43.3	173.2	-69.4	-175.7	174.2	-174.9	0	112.5	T517 F522 R523 F631	T517-K519 PolarHBondContact O-N 3.34Å; T517-K519 PolarHBondContact OG1-N 2.84Å; K519-F522 PolarHBondContact O-N 3.36Å; K519-R523 PolarHBondContact O-N 2.86Å; K519-F631 HydrophobicContact CB-CD2 3.83Å; K519-F631 HydrophobicContact CB-CE2 3.2Å; K519-F631 HydrophobicContact CB-CZ 3.79Å; K519-F631 HydrophobicContact CD-CD2 3.94Å; K519-F631 HydrophobicContact CD-CE2 3.94Å; K519-F631 HydrophobicContact CD-CG 4.39Å; K519-F631 HydrophobicContact CD-CZ 4.29Å; K519-F631 HydrophobicContact CG-CE2 4.26Å
520	Q	92.7	Very high	91.2	Very high	3 Å²	3	71 Å²	71	1%	0.014	37%	0.366	C	S	.	.	H	α-helix	trans	-63.6	-50.1	178.4	-69	171.5	-14.5	0	0	108.8	L516 T517 F522 R523 V524 Y557 F631	L516-Q520 HydrophobicContact CB-CB 4.2Å; L516-Q520 HydrophobicContact CD2-CB 4.2Å; T517-Q520 HydrophobicContact CG2-CG 4.3Å; T517-Q520 PolarHBondContact O-N 2.71Å; T517-Q520 WeakPolarHBondContact OG1-CG 3.15Å; T517-Q520 PolarHBondContact OG1-N 2.76Å; T517-Q520 VanDerWaalsContact OG1-N 3.08Å; Q520-F522 VanDerWaalsContact C-N 3.32Å; Q520-F522 PolarHBondContact O-N 3.13Å; Q520-R523 WeakPolarHBondContact O-CA 3.46Å; Q520-R523 WeakPolarHBondContact O-CB 3.24Å; Q520-R523 PolarHBondContact O-N 3.17Å; Q520-V524 WeakPolarHBondContact O-CG2 3.25Å; Q520-V524 PolarHBondContact O-N 3.02Å; Q520-Y557 WeakPolarHBondContact CA-OH 3.4Å; Q520-Y557 WeakPolarHBondContact CB-OH 3.17Å; Q520-Y557 VanDerWaalsContact CG-OH 3.3Å; Q520-Y557 WeakPolarHBondContact CG-OH 3.46Å; Q520-F631 HydrophobicContact CG-CD2 4.07Å; Q520-F631 HydrophobicContact CG-CE2 3.82Å; Q520-F631 WeakPolarHBondContact CG-O 3.13Å; Q520-F631 PolarHBondContact NE2-O 3.15Å; Q520-F631 PolarHBondContact NE2-OXT 3.24Å
521	R	92.4	Very high	91.4	Very high	79 Å²	79	77.6 Å²	77.6	30%	0.298	39%	0.391	S	S	.	.	H	α-helix	trans	-53.7	-44.3	176.5	-169.3	178.7	-175.2	158	-10.1	112.2	Y506 D509 S510 L516 T517 R523 V524 K525	Y506-R521 HydrophobicContact CD2-CG 3.75Å; Y506-R521 HydrophobicContact CE2-CG 3.56Å; D509-R521 PolarHBondContact O-NH1 3.37Å; D509-R521 VanDerWaalsContact O-NH1 3.08Å; D509-R521 VanDerWaalsContact OD2-CD 3.29Å; D509-R521 WeakPolarHBondContact OD2-CD 3.28Å; D509-R521 IonicContact OD2-CZ 3.47Å; D509-R521 IonicContact OD2-NE 3.75Å; D509-R521 IonicContact OD2-NH1 3.41Å; D509-R521 PolarHBondContact OD2-NH1 3.25Å; S510-R521 PolarHBondContact OG-NH2 3.23Å; L516-R521 HydrophobicContact CB-CB 4.08Å; L516-R521 HydrophobicContact CD1-CB 4.49Å; T517-R521 WeakPolarHBondContact O-CB 3.22Å; T517-R521 PolarHBondContact O-N 3.48Å; R521-R523 VanDerWaalsContact C-N 3.34Å; R521-R523 PolarHBondContact O-N 2.6Å; R521-V524 PolarHBondContact O-N 3.23Å; R521-K525 WeakPolarHBondContact O-CB 3.38Å; R521-K525 PolarHBondContact O-N 3.48Å
522	F	92.5	Very high	91.6	Very high	124 Å²	124	80.7 Å²	80.7	54%	0.544	39%	0.388	S	S	.	.	H	α-helix	trans	-63.7	-33.9	175.5	179.3	-104.8	0	0	0	113.6	P518 K519 Q520 K526	P518-F522 WeakPolarHBondContact O-CB 3.47Å; P518-F522 PolarHBondContact O-N 3.09Å; P518-F522 VanDerWaalsContact O-N 3.16Å; K519-F522 PolarHBondContact O-N 3.36Å; Q520-F522 VanDerWaalsContact C-N 3.32Å; Q520-F522 PolarHBondContact O-N 3.13Å; F522-K526 VanDerWaalsContact CZ-CE 3.49Å
523	R	93.4	Very high	91.8	Very high	94 Å²	94	78.7 Å²	78.7	36%	0.355	37%	0.37	S	S	.	.	H	α-helix	trans	-72.4	-45.8	174	-73.5	-173.5	177.7	-101	8.5	111.9	K519 Q520 R521 K525 K526 Y557	K519-R523 PolarHBondContact O-N 2.86Å; Q520-R523 WeakPolarHBondContact O-CA 3.46Å; Q520-R523 WeakPolarHBondContact O-CB 3.24Å; Q520-R523 PolarHBondContact O-N 3.17Å; R521-R523 VanDerWaalsContact C-N 3.34Å; R521-R523 PolarHBondContact O-N 2.6Å; R523-K525 VanDerWaalsContact C-N 3.34Å; R523-K525 PolarHBondContact O-N 2.98Å; R523-K526 PolarHBondContact O-N 3.22Å; R523-Y557 HydrophobicContact CB-CD1 3.75Å; R523-Y557 HydrophobicContact CB-CD2 4.45Å; R523-Y557 HydrophobicContact CB-CE1 3.62Å; R523-Y557 HydrophobicContact CB-CE2 4.35Å; R523-Y557 HydrophobicContact CB-CG 4.18Å; R523-Y557 VanDerWaalsContact CD-CD2 3.48Å; R523-Y557 VanDerWaalsContact CD-CE2 3.44Å
524	V	94.5	Very high	92.2	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-65.8	-38.3	178.8	-171.2	0	0	0	0	111.5	L502 L503 Y506 L516 Q520 R521 K526 I527 F528 Y557	L502-V524 HydrophobicContact CD1-CG2 3.64Å; L502-V524 HydrophobicContact CD2-CG2 3.93Å; L502-V524 HydrophobicContact CG-CG1 4.25Å; L502-V524 HydrophobicContact CG-CG2 3.58Å; L503-V524 HydrophobicContact CD2-CG1 3.95Å; Y506-V524 VanDerWaalsContact CB-CG1 3.45Å; Y506-V524 HydrophobicContact CD2-CB 3.97Å; Y506-V524 HydrophobicContact CD2-CG1 4.16Å; Y506-V524 HydrophobicContact CG-CB 4.17Å; Y506-V524 HydrophobicContact CG-CG1 3.83Å; L516-V524 HydrophobicContact CD1-CG2 4.17Å; Q520-V524 WeakPolarHBondContact O-CG2 3.25Å; Q520-V524 PolarHBondContact O-N 3.02Å; R521-V524 PolarHBondContact O-N 3.23Å; V524-K526 VanDerWaalsContact C-N 3.25Å; V524-K526 PolarHBondContact O-N 3.5Å; V524-I527 WeakPolarHBondContact O-CA 3.48Å; V524-I527 WeakPolarHBondContact O-CB 3.12Å; V524-I527 PolarHBondContact O-N 3Å; V524-F528 PolarHBondContact O-N 3.31Å; V524-Y557 HydrophobicContact CG2-CD1 4.5Å; V524-Y557 HydrophobicContact CG2-CE1 3.81Å
525	K	94.4	Very high	92.7	Very high	83 Å²	83	79.9 Å²	79.9	36%	0.361	36%	0.363	S	S	.	.	H	α-helix	trans	-48.9	-45.8	174.6	178.3	162.9	179.1	163	0	112.4	Y506 R521 R523 I527 F528 E529	Y506-K525 HydrophobicContact CE2-CB 3.69Å; Y506-K525 HydrophobicContact CE2-CG 4.45Å; Y506-K525 WeakPolarHBondContact OH-CG 3.37Å; R521-K525 WeakPolarHBondContact O-CB 3.38Å; R521-K525 PolarHBondContact O-N 3.48Å; R523-K525 VanDerWaalsContact C-N 3.34Å; R523-K525 PolarHBondContact O-N 2.98Å; K525-I527 VanDerWaalsContact C-N 3.26Å; K525-I527 PolarHBondContact O-N 3.48Å; K525-F528 PolarHBondContact O-N 3.44Å; K525-E529 WeakPolarHBondContact CE-OE1 3.46Å; K525-E529 WeakPolarHBondContact CE-OE2 3.48Å; K525-E529 HydrophobicContact CG-CG 4.26Å; K525-E529 VanDerWaalsContact CG-OE2 3.31Å; K525-E529 WeakPolarHBondContact CG-OE2 3.36Å; K525-E529 IonicContact NZ-OE1 3.81Å; K525-E529 PolarHBondContact NZ-OE1 3.02Å; K525-E529 IonicContact NZ-OE2 3.34Å; K525-E529 WeakPolarHBondContact O-CB 3.28Å; K525-E529 WeakPolarHBondContact O-CG 3.46Å; K525-E529 PolarHBondContact O-N 3.24Å
526	K	94.5	Very high	93.1	Very high	134 Å²	134	81 Å²	81	58%	0.583	38%	0.38	S	S	*	.	H	α-helix	trans	-66.7	-20.2	177.6	-68.7	-172.9	175.6	-166.1	0	115.1	F522 R523 V524	F522-K526 VanDerWaalsContact CZ-CE 3.49Å; R523-K526 PolarHBondContact O-N 3.22Å; V524-K526 VanDerWaalsContact C-N 3.25Å; V524-K526 PolarHBondContact O-N 3.5Å
527	I	95.2	Very high	93.2	Very high	13 Å²	13	82.5 Å²	82.5	7%	0.067	40%	0.398	C	S	.	.	H	α-helix	trans	-86.6	-44.2	173.8	-55.2	169.9	0	0	0	108.8	L503 V524 K525 N530 R533 M554 Y557 P558	L503-I527 HydrophobicContact CD2-CB 4.31Å; L503-I527 HydrophobicContact CD2-CG2 4.11Å; V524-I527 WeakPolarHBondContact O-CA 3.48Å; V524-I527 WeakPolarHBondContact O-CB 3.12Å; V524-I527 PolarHBondContact O-N 3Å; K525-I527 VanDerWaalsContact C-N 3.26Å; K525-I527 PolarHBondContact O-N 3.48Å; I527-N530 PolarHBondContact O-N 3.48Å; I527-R533 WeakPolarHBondContact O-CD 3.4Å; I527-M554 HydrophobicContact CG2-CB 4.09Å; I527-M554 HydrophobicContact CG2-CG 4.22Å; I527-M554 HydrophobicContact CG2-SD 4.22Å; I527-Y557 HydrophobicContact CD1-CD1 4.23Å; I527-P558 HydrophobicContact CD1-CG 4.24Å
528	F	94.8	Very high	93.2	Very high	68 Å²	68	89.5 Å²	89.5	30%	0.298	43%	0.434	S	S	.	.	H	α-helix	trans	-59.6	-51.6	-179.7	-177.8	-92.8	0	0	0	112.8	L503 Y506 E507 V524 K525 N530 R533	L503-F528 HydrophobicContact CD2-CB 3.76Å; L503-F528 HydrophobicContact CD2-CD2 4.08Å; L503-F528 HydrophobicContact CD2-CG 4.44Å; Y506-F528 HydrophobicContact CD1-CB 4.02Å; Y506-F528 HydrophobicContact CD1-CD1 4.36Å; Y506-F528 AromaticContact CD1-CD2 3.91Å; Y506-F528 HydrophobicContact CD1-CD2 3.91Å; Y506-F528 AromaticContact CD1-CG 3.82Å; Y506-F528 HydrophobicContact CD1-CG 3.82Å; Y506-F528 HydrophobicContact CE1-CB 3.94Å; Y506-F528 AromaticContact CE1-CD1 3.76Å; Y506-F528 HydrophobicContact CE1-CD1 3.76Å; Y506-F528 HydrophobicContact CE1-CD2 4.15Å; Y506-F528 HydrophobicContact CE1-CE1 4.31Å; Y506-F528 AromaticContact CE1-CG 3.67Å; Y506-F528 HydrophobicContact CE1-CG 3.67Å; E507-F528 HydrophobicContact CG-CD2 4.35Å; E507-F528 HydrophobicContact CG-CE2 3.65Å; E507-F528 HydrophobicContact CG-CZ 4.36Å; E507-F528 WeakPolarHBondContact OE1-CE2 3.4Å; V524-F528 PolarHBondContact O-N 3.31Å; K525-F528 PolarHBondContact O-N 3.44Å; F528-N530 PolarHBondContact O-N 2.89Å; F528-R533 PolarHBondContact O-NE 3.1Å; F528-R533 PolarHBondContact O-NH2 2.88Å
529	E	94.4	Very high	93.4	Very high	117 Å²	117	85.7 Å²	85.7	55%	0.547	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-1.4	-178.9	-68.7	-179.8	141.1	0	0	114.3	K525 E531	K525-E529 WeakPolarHBondContact CE-OE1 3.46Å; K525-E529 WeakPolarHBondContact CE-OE2 3.48Å; K525-E529 HydrophobicContact CG-CG 4.26Å; K525-E529 VanDerWaalsContact CG-OE2 3.31Å; K525-E529 WeakPolarHBondContact CG-OE2 3.36Å; K525-E529 IonicContact NZ-OE1 3.81Å; K525-E529 PolarHBondContact NZ-OE1 3.02Å; K525-E529 IonicContact NZ-OE2 3.34Å; K525-E529 WeakPolarHBondContact O-CB 3.28Å; K525-E529 WeakPolarHBondContact O-CG 3.46Å; K525-E529 PolarHBondContact O-N 3.24Å; E529-E531 PolarHBondContact O-N 3.34Å
530	N	95.1	Very high	93.6	Very high	63 Å²	63	82.1 Å²	82.1	34%	0.337	40%	0.399	S	S	.	.			trans	-87.2	113.2	-176.1	-165	-48.7	0	0	0	111.5	I527 F528 R532 R533 M554	I527-N530 PolarHBondContact O-N 3.48Å; F528-N530 PolarHBondContact O-N 2.89Å; N530-R532 PolarHBondContact O-N 3.44Å; N530-R532 VanDerWaalsContact O-N 3.09Å; N530-R532 WeakPolarHBondContact OD1-CB 3.4Å; N530-R532 PolarHBondContact OD1-N 3Å; N530-R533 WeakPolarHBondContact O-CB 3.22Å; N530-R533 PolarHBondContact O-N 2.99Å; N530-M554 HydrophobicContact CB-CE 3.68Å; N530-M554 WeakPolarHBondContact OD1-CE 3.46Å
531	E	91.3	Very high	93.7	Very high	193 Å²	193	84.3 Å²	84.3	90%	0.902	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-30.2	179	-60.8	171.8	168.2	0	0	114.1	E529 R533	E529-E531 PolarHBondContact O-N 3.34Å; E531-R533 PolarHBondContact O-N 3.13Å
532	R	92.8	Very high	93.9	Very high	194 Å²	194	87.5 Å²	87.5	73%	0.732	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-1.3	-179	-59	-174.1	179.4	-170.3	-1.2	113.6	N530 L534 N551 M554	N530-R532 PolarHBondContact O-N 3.44Å; N530-R532 VanDerWaalsContact O-N 3.09Å; N530-R532 WeakPolarHBondContact OD1-CB 3.4Å; N530-R532 PolarHBondContact OD1-N 3Å; R532-L534 PolarHBondContact O-N 2.61Å; R532-N551 PolarHBondContact O-ND2 3.11Å; R532-M554 HydrophobicContact CB-CE 4.46Å
533	R	94	Very high	94.1	Very high	30 Å²	30	84.8 Å²	84.8	11%	0.113	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-66.7	117.7	-178.9	175.1	177.5	53.6	71.6	4.2	111	I527 F528 N530 E531 H535 M554	I527-R533 WeakPolarHBondContact O-CD 3.4Å; F528-R533 PolarHBondContact O-NE 3.1Å; F528-R533 PolarHBondContact O-NH2 2.88Å; N530-R533 WeakPolarHBondContact O-CB 3.22Å; N530-R533 PolarHBondContact O-N 2.99Å; E531-R533 PolarHBondContact O-N 3.13Å; R533-H535 PolarHBondContact NH1-CD2 2.92Å; R533-H535 VanDerWaalsContact NH1-CD2 3.31Å; R533-H535 PolarHBondContact NH1-CE1 3.07Å; R533-H535 PolarHBondContact NH1-ND1 2.82Å; R533-H535 PolarHBondContact NH1-NE2 3.42Å; R533-H535 PolarHBondContact NH2-CE1 2.97Å; R533-H535 VanDerWaalsContact NH2-CE1 3.3Å; R533-H535 PolarHBondContact NH2-NE2 2.94Å; R533-H535 PolarHBondContact O-N 3.3Å; R533-H535 VanDerWaalsContact O-N 3.13Å; R533-H535 PolarHBondContact O-ND1 2.73Å; R533-M554 HydrophobicContact CB-CE 4.1Å; R533-M554 HydrophobicContact CB-SD 3.95Å; R533-M554 HydrophobicContact CG-SD 4.27Å
534	L	94.3	Very high	94.3	Very high	30 Å²	30	80.6 Å²	80.6	16%	0.157	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-59.1	117.4	163.4	-175.5	64	0	0	0	109.3	K499 R532 L543 L544 D547	K499-L534 PolarHBondContact NZ-O 3.04Å; R532-L534 PolarHBondContact O-N 2.61Å; L534-L543 HydrophobicContact CD1-CD2 4.11Å; L534-L543 HydrophobicContact CD1-CG 4.42Å; L534-L543 HydrophobicContact CD2-CG 4.19Å; L534-L544 HydrophobicContact CD2-CD2 3.92Å; L534-D547 HydrophobicContact CB-CB 4.34Å; L534-D547 HydrophobicContact CD2-CB 3.86Å
535	H	92.5	Very high	94.4	Very high	112 Å²	112	82.1 Å²	82.1	52%	0.519	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-72.2	162.2	179.9	-75.8	57.4	0	0	0	111.4	R533 G537 H539	R533-H535 PolarHBondContact NH1-CD2 2.92Å; R533-H535 VanDerWaalsContact NH1-CD2 3.31Å; R533-H535 PolarHBondContact NH1-CE1 3.07Å; R533-H535 PolarHBondContact NH1-ND1 2.82Å; R533-H535 PolarHBondContact NH1-NE2 3.42Å; R533-H535 PolarHBondContact NH2-CE1 2.97Å; R533-H535 VanDerWaalsContact NH2-CE1 3.3Å; R533-H535 PolarHBondContact NH2-NE2 2.94Å; R533-H535 PolarHBondContact O-N 3.3Å; R533-H535 VanDerWaalsContact O-N 3.13Å; R533-H535 PolarHBondContact O-ND1 2.73Å; H535-G537 PolarHBondContact O-N 2.93Å; H535-H539 PolarHBondContact O-NE2 3.4Å
536	A	92.4	Very high	94.5	Very high	65 Å²	65	82.3 Å²	82.3	54%	0.537	42%	0.421	S	S	.	.	S	Bend	trans	-61.9	135.4	177.1	0	0	0	0	0	111.3	N500	N500-A536 HydrophobicContact CB-CB 4.16Å
537	G	91.6	Very high	94.6	Very high	41 Å²	41	76.5 Å²	76.5	42%	0.423	40%	0.396	S	S	.	.	S	Bend	trans	173.9	172.8	-178.2	0	0	0	0	0	113.7	H535 H539	H535-G537 PolarHBondContact O-N 2.93Å; G537-H539 VanDerWaalsContact C-N 3.28Å; G537-H539 PolarHBondContact O-CD2 2.81Å; G537-H539 VanDerWaalsContact O-CD2 3.29Å; G537-H539 PolarHBondContact O-N 3.23Å
538	N	91.6	Very high	94.7	Very high	179 Å²	179	77.2 Å²	77.2	96%	0.957	40%	0.398	S	S	*	.			trans	-81.1	69.9	-178.8	-72.8	-27.5	0	0	0	111.7
539	H	95	Very high	94.8	Very high	39 Å²	39	81 Å²	81	18%	0.181	42%	0.417	C	S	.	.			trans	-77.3	151.5	-173.5	-60.8	-51.8	0	0	0	114.2	R493 H535 G537 L543 L544	R493-H539 PolarHBondContact NH1-O 3.25Å; H535-H539 PolarHBondContact O-NE2 3.4Å; G537-H539 VanDerWaalsContact C-N 3.28Å; G537-H539 PolarHBondContact O-CD2 2.81Å; G537-H539 VanDerWaalsContact O-CD2 3.29Å; G537-H539 PolarHBondContact O-N 3.23Å; H539-L543 HydrophobicContact CB-CD2 4.29Å; H539-L544 HydrophobicContact CB-CD1 4.47Å; H539-L544 HydrophobicContact CB-CD2 3.76Å; H539-L544 HydrophobicContact CB-CG 3.88Å
540	S	96.4	Very high	94.8	Very high	64 Å²	64	82.3 Å²	82.3	45%	0.448	42%	0.421	S	S	.	.			trans	-70.9	152.9	169.8	73.8	0	0	0	0	111	E542 L543 L544	S540-E542 PolarHBondContact O-N 3.31Å; S540-L543 PolarHBondContact O-N 2.9Å; S540-L543 WeakPolarHBondContact OG-CB 3.25Å; S540-L543 PolarHBondContact OG-N 3.35Å; S540-L544 WeakPolarHBondContact O-CG 3.31Å; S540-L544 PolarHBondContact O-N 3.25Å
541	V	95.3	Very high	94.8	Very high	48 Å²	48	80.5 Å²	80.5	29%	0.291	41%	0.411	S	S	.	.	H	α-helix	trans	-60	-38.3	-180	-171.8	0	0	0	0	111.1	Q489 L492 L544 A545	Q489-V541 HydrophobicContact CG-CG1 4.06Å; Q489-V541 HydrophobicContact CG-CG2 3.7Å; Q489-V541 VanDerWaalsContact OE1-CG2 3.23Å; L492-V541 HydrophobicContact CD1-CG1 4.1Å; V541-L544 PolarHBondContact O-N 3.28Å; V541-A545 PolarHBondContact O-N 2.87Å
542	E	96.4	Very high	95.1	Very high	146 Å²	146	72.3 Å²	72.3	68%	0.682	37%	0.372	S	S	*	.	H	α-helix	trans	-64.4	-40.3	177.7	-63.2	172.1	-173.2	0	0	112.2	S540 A545 Q546	S540-E542 PolarHBondContact O-N 3.31Å; E542-A545 PolarHBondContact O-N 2.85Å; E542-Q546 WeakPolarHBondContact O-CG 3.39Å; E542-Q546 PolarHBondContact O-N 3.21Å
543	L	96.6	Very high	95.2	Very high	68 Å²	68	69.2 Å²	69.2	36%	0.356	37%	0.37	S	S	.	.	H	α-helix	trans	-67.9	-41	176.1	-177.7	58.8	0	0	0	111.3	L534 H539 S540 A545 Q546 D547	L534-L543 HydrophobicContact CD1-CD2 4.11Å; L534-L543 HydrophobicContact CD1-CG 4.42Å; L534-L543 HydrophobicContact CD2-CG 4.19Å; H539-L543 HydrophobicContact CB-CD2 4.29Å; S540-L543 PolarHBondContact O-N 2.9Å; S540-L543 WeakPolarHBondContact OG-CB 3.25Å; S540-L543 PolarHBondContact OG-N 3.35Å; L543-A545 VanDerWaalsContact C-N 3.29Å; L543-A545 PolarHBondContact O-N 3.15Å; L543-Q546 PolarHBondContact O-N 3.05Å; L543-D547 WeakPolarHBondContact O-CB 3.18Å; L543-D547 PolarHBondContact O-N 3.1Å
544	L	97	Very high	95.2	Very high	6 Å²	6	68.3 Å²	68.3	3%	0.031	37%	0.367	C	S	.	.	H	α-helix	trans	-65.8	-29.3	175.1	-65.9	-178.5	0	0	0	113.3	L492 R493 D496 L534 H539 S540 V541 F548	L492-L544 HydrophobicContact CB-CB 4.3Å; L492-L544 HydrophobicContact CD2-CB 4.31Å; R493-L544 HydrophobicContact CG-CD1 4.01Å; D496-L544 HydrophobicContact CB-CD2 3.78Å; L534-L544 HydrophobicContact CD2-CD2 3.92Å; H539-L544 HydrophobicContact CB-CD1 4.47Å; H539-L544 HydrophobicContact CB-CD2 3.76Å; H539-L544 HydrophobicContact CB-CG 3.88Å; S540-L544 WeakPolarHBondContact O-CG 3.31Å; S540-L544 PolarHBondContact O-N 3.25Å; V541-L544 PolarHBondContact O-N 3.28Å; L544-F548 WeakPolarHBondContact O-CB 3.49Å; L544-F548 PolarHBondContact O-N 3.33Å
545	A	96.8	Very high	95.3	Very high	32 Å²	32	67 Å²	67	26%	0.264	36%	0.36	S	S	.	.	H	α-helix	trans	-71.3	-51.8	171.9	0	0	0	0	0	111.1	L492 V541 E542 L543 D547 F548 E549	L492-A545 HydrophobicContact CD2-CB 3.75Å; V541-A545 PolarHBondContact O-N 2.87Å; E542-A545 PolarHBondContact O-N 2.85Å; L543-A545 VanDerWaalsContact C-N 3.29Å; L543-A545 PolarHBondContact O-N 3.15Å; A545-D547 VanDerWaalsContact C-N 3.35Å; A545-D547 PolarHBondContact O-N 2.04Å; A545-F548 PolarHBondContact O-N 3.32Å; A545-F548 VanDerWaalsContact O-N 3.16Å; A545-E549 PolarHBondContact O-N 2.94Å
546	Q	97	Very high	95.5	Very high	87 Å²	87	62.8 Å²	62.8	41%	0.407	34%	0.341	S	S	.	.	H	α-helix	trans	-62.7	-37.7	179.7	-72	-175	45.1	0	0	113.3	E542 L543 E549 K550	E542-Q546 WeakPolarHBondContact O-CG 3.39Å; E542-Q546 PolarHBondContact O-N 3.21Å; L543-Q546 PolarHBondContact O-N 3.05Å; Q546-E549 PolarHBondContact O-N 2.93Å; Q546-K550 WeakPolarHBondContact O-CB 3.46Å; Q546-K550 WeakPolarHBondContact O-CD 3.41Å; Q546-K550 VanDerWaalsContact O-CG 3.23Å; Q546-K550 WeakPolarHBondContact O-CG 3.43Å; Q546-K550 PolarHBondContact O-N 2.66Å
547	D	96.8	Very high	95.7	Very high	12 Å²	12	60.1 Å²	60.1	6%	0.064	32%	0.318	C	S	.	.	H	α-helix	trans	-67.3	-38	175.4	-176.6	63.7	0	0	0	111.4	K499 L534 L543 A545 E549 K550 N551 Y555	K499-D547 IonicContact NZ-OD2 3.13Å; L534-D547 HydrophobicContact CB-CB 4.34Å; L534-D547 HydrophobicContact CD2-CB 3.86Å; L543-D547 WeakPolarHBondContact O-CB 3.18Å; L543-D547 PolarHBondContact O-N 3.1Å; A545-D547 VanDerWaalsContact C-N 3.35Å; A545-D547 PolarHBondContact O-N 2.04Å; D547-E549 PolarHBondContact O-N 2.97Å; D547-K550 PolarHBondContact O-N 3.34Å; D547-N551 WeakPolarHBondContact O-CA 3.44Å; D547-N551 VanDerWaalsContact O-CB 3.31Å; D547-N551 WeakPolarHBondContact O-CB 3.46Å; D547-N551 PolarHBondContact O-N 3.28Å; D547-N551 PolarHBondContact OD1-ND2 3.23Å; D547-Y555 WeakPolarHBondContact OD2-CE2 3.5Å; D547-Y555 PolarHBondContact OD2-OH 3.42Å
548	F	97.3	Very high	96	Very high	27 Å²	27	58.2 Å²	58.2	12%	0.118	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-39.3	173.7	-179.8	-117.7	0	0	0	112.7	R495 L544 A545 Y552 Y555 G619 I620	R495-F548 VanDerWaalsContact CZ-CD2 3.46Å; R495-F548 VanDerWaalsContact NH2-CG 3.31Å; L544-F548 WeakPolarHBondContact O-CB 3.49Å; L544-F548 PolarHBondContact O-N 3.33Å; A545-F548 PolarHBondContact O-N 3.32Å; A545-F548 VanDerWaalsContact O-N 3.16Å; F548-Y552 HydrophobicContact CD2-CD2 4.38Å; F548-Y552 HydrophobicContact CE1-CD2 4.35Å; F548-Y552 AromaticContact CE2-CD2 3.67Å; F548-Y552 HydrophobicContact CE2-CD2 3.67Å; F548-Y552 HydrophobicContact CE2-CE2 4.09Å; F548-Y552 AromaticContact CZ-CD2 3.66Å; F548-Y552 HydrophobicContact CZ-CD2 3.66Å; F548-Y552 AromaticContact CZ-CE2 3.81Å; F548-Y552 HydrophobicContact CZ-CE2 3.81Å; F548-Y552 WeakPolarHBondContact O-CA 3.39Å; F548-Y552 VanDerWaalsContact O-CB 3.26Å; F548-Y552 WeakPolarHBondContact O-CB 3.29Å; F548-Y552 PolarHBondContact O-N 3.47Å; F548-Y555 AromaticContact CD2-CD2 3.67Å; F548-Y555 HydrophobicContact CD2-CD2 3.67Å; F548-Y555 HydrophobicContact CD2-CE2 4.36Å; F548-Y555 AromaticContact CD2-CG 3.91Å; F548-Y555 HydrophobicContact CD2-CG 3.91Å; F548-Y555 HydrophobicContact CE2-CD2 4.42Å; F548-Y555 HydrophobicContact CE2-CG 4.34Å; F548-G619 WeakPolarHBondContact CZ-O 3.33Å; F548-I620 HydrophobicContact CE2-CD1 4.15Å; F548-I620 HydrophobicContact CZ-CD1 4.33Å
549	E	95.8	Very high	96.3	Very high	149 Å²	149	49.7 Å²	49.7	70%	0.696	25%	0.252	S	S	*	.	H	α-helix	trans	-66.7	-44.6	175.5	-70.4	174.6	-177.3	0	0	112.4	A545 Q546 D547	A545-E549 PolarHBondContact O-N 2.94Å; Q546-E549 PolarHBondContact O-N 2.93Å; D547-E549 PolarHBondContact O-N 2.97Å
550	K	95.6	Very high	96.3	Very high	143 Å²	143	47.9 Å²	47.9	62%	0.622	24%	0.244	S	C	*	.	H	α-helix	trans	-80.3	-36.1	-174.4	-67.6	165.9	-173.6	168.2	0	113.3	Q546 D547	Q546-K550 WeakPolarHBondContact O-CB 3.46Å; Q546-K550 WeakPolarHBondContact O-CD 3.41Å; Q546-K550 VanDerWaalsContact O-CG 3.23Å; Q546-K550 WeakPolarHBondContact O-CG 3.43Å; Q546-K550 PolarHBondContact O-N 2.66Å; D547-K550 PolarHBondContact O-N 3.34Å
551	N	95.5	Very high	96.3	Very high	26 Å²	26	44.9 Å²	44.9	14%	0.139	22%	0.223	C	C	.	.	H	α-helix	trans	-115.4	20.2	-175.3	-69.8	-49.4	0	0	0	113.1	R532 D547 N553 M554	R532-N551 PolarHBondContact O-ND2 3.11Å; D547-N551 WeakPolarHBondContact O-CA 3.44Å; D547-N551 VanDerWaalsContact O-CB 3.31Å; D547-N551 WeakPolarHBondContact O-CB 3.46Å; D547-N551 PolarHBondContact O-N 3.28Å; D547-N551 PolarHBondContact OD1-ND2 3.23Å; N551-N553 PolarHBondContact O-N 2.92Å; N551-M554 HydrophobicContact CB-CE 4.16Å; N551-M554 HydrophobicContact CB-CG 4.24Å; N551-M554 HydrophobicContact CB-SD 4.07Å; N551-M554 WeakPolarHBondContact O-CB 3.33Å; N551-M554 WeakPolarHBondContact O-CG 3.07Å; N551-M554 PolarHBondContact O-N 3.43Å
552	Y	96.4	Very high	96.3	Very high	21 Å²	21	42.7 Å²	42.7	8%	0.082	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-31.7	-48.3	179.5	175.8	-103.3	0	0	0	115.6	F548 M554 Y555 I556 I620 K621 D624	F548-Y552 HydrophobicContact CD2-CD2 4.38Å; F548-Y552 HydrophobicContact CE1-CD2 4.35Å; F548-Y552 AromaticContact CE2-CD2 3.67Å; F548-Y552 HydrophobicContact CE2-CD2 3.67Å; F548-Y552 HydrophobicContact CE2-CE2 4.09Å; F548-Y552 AromaticContact CZ-CD2 3.66Å; F548-Y552 HydrophobicContact CZ-CD2 3.66Å; F548-Y552 AromaticContact CZ-CE2 3.81Å; F548-Y552 HydrophobicContact CZ-CE2 3.81Å; F548-Y552 WeakPolarHBondContact O-CA 3.39Å; F548-Y552 VanDerWaalsContact O-CB 3.26Å; F548-Y552 WeakPolarHBondContact O-CB 3.29Å; F548-Y552 PolarHBondContact O-N 3.47Å; Y552-M554 PolarHBondContact O-N 3.38Å; Y552-M554 VanDerWaalsContact O-N 3.11Å; Y552-Y555 WeakPolarHBondContact O-CB 3.34Å; Y552-Y555 PolarHBondContact O-N 2.88Å; Y552-I556 HydrophobicContact CD1-CD1 4.16Å; Y552-I556 HydrophobicContact CD1-CG1 4.37Å; Y552-I556 HydrophobicContact CE1-CD1 3.7Å; Y552-I556 HydrophobicContact CE1-CG1 3.91Å; Y552-I620 HydrophobicContact CE2-CD1 4.15Å; Y552-K621 HydrophobicContact CE1-CD 4.34Å; Y552-K621 WeakPolarHBondContact OH-CG 3.28Å; Y552-K621 PolarHBondContact OH-N 2.75Å; Y552-D624 WeakPolarHBondContact CE1-OD2 3.38Å; Y552-D624 VanDerWaalsContact CZ-OD2 3.29Å; Y552-D624 PolarHBondContact OH-OD2 2.73Å
553	N	94.9	Very high	96.3	Very high	128 Å²	128	35.8 Å²	35.8	68%	0.684	18%	0.177	S	C	*	.	H	α-helix	trans	-58.9	-25.1	-178.4	-65.3	-12.9	0	0	0	114.1	N551 Y555	N551-N553 PolarHBondContact O-N 2.92Å; N553-Y555 VanDerWaalsContact C-N 3.26Å; N553-Y555 PolarHBondContact O-N 2.89Å
554	M	95.1	Very high	96.1	Very high	11 Å²	11	33.4 Å²	33.4	5%	0.054	17%	0.167	C	C	.	.	H	α-helix	trans	-68.7	-24.7	174.3	-62.5	-167.9	-171.3	0	0	112.7	I527 N530 R532 R533 N551 Y552 P558	I527-M554 HydrophobicContact CG2-CB 4.09Å; I527-M554 HydrophobicContact CG2-CG 4.22Å; I527-M554 HydrophobicContact CG2-SD 4.22Å; N530-M554 HydrophobicContact CB-CE 3.68Å; N530-M554 WeakPolarHBondContact OD1-CE 3.46Å; R532-M554 HydrophobicContact CB-CE 4.46Å; R533-M554 HydrophobicContact CB-CE 4.1Å; R533-M554 HydrophobicContact CB-SD 3.95Å; R533-M554 HydrophobicContact CG-SD 4.27Å; N551-M554 HydrophobicContact CB-CE 4.16Å; N551-M554 HydrophobicContact CB-CG 4.24Å; N551-M554 HydrophobicContact CB-SD 4.07Å; N551-M554 WeakPolarHBondContact O-CB 3.33Å; N551-M554 WeakPolarHBondContact O-CG 3.07Å; N551-M554 PolarHBondContact O-N 3.43Å; Y552-M554 PolarHBondContact O-N 3.38Å; Y552-M554 VanDerWaalsContact O-N 3.11Å; M554-P558 WeakPolarHBondContact O-CD 3.18Å; M554-P558 VanDerWaalsContact O-CG 3.23Å; M554-P558 WeakPolarHBondContact O-CG 3.47Å
555	Y	96.5	Very high	95.9	Very high	3 Å²	3	34 Å²	34	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-95.8	-23.4	-171	-70.2	-72.5	0	0	0	114.3	R495 K499 D547 F548 Y552 N553 Y557 P558 V559	R495-Y555 HydrophobicContact CG-CD1 3.47Å; R495-Y555 VanDerWaalsContact CG-CD1 3.47Å; R495-Y555 HydrophobicContact CG-CE1 4.07Å; R495-Y555 HydrophobicContact CG-CG 4.05Å; K499-Y555 HydrophobicContact CB-CD1 4.12Å; K499-Y555 HydrophobicContact CB-CE1 3.79Å; K499-Y555 HydrophobicContact CD-CD1 4.48Å; K499-Y555 HydrophobicContact CD-CE1 3.67Å; K499-Y555 HydrophobicContact CG-CE1 4.2Å; K499-Y555 PolarHBondContact NZ-OH 3.43Å; D547-Y555 WeakPolarHBondContact OD2-CE2 3.5Å; D547-Y555 PolarHBondContact OD2-OH 3.42Å; F548-Y555 AromaticContact CD2-CD2 3.67Å; F548-Y555 HydrophobicContact CD2-CD2 3.67Å; F548-Y555 HydrophobicContact CD2-CE2 4.36Å; F548-Y555 AromaticContact CD2-CG 3.91Å; F548-Y555 HydrophobicContact CD2-CG 3.91Å; F548-Y555 HydrophobicContact CE2-CD2 4.42Å; F548-Y555 HydrophobicContact CE2-CG 4.34Å; Y552-Y555 WeakPolarHBondContact O-CB 3.34Å; Y552-Y555 PolarHBondContact O-N 2.88Å; N553-Y555 VanDerWaalsContact C-N 3.26Å; N553-Y555 PolarHBondContact O-N 2.89Å; Y555-Y557 VanDerWaalsContact C-N 3.31Å; Y555-Y557 PolarHBondContact O-N 3.02Å; Y555-P558 WeakPolarHBondContact O-CD 3.3Å; Y555-V559 VanDerWaalsContact O-CG2 3.3Å; Y555-V559 WeakPolarHBondContact O-CG2 3.41Å; Y555-V559 PolarHBondContact O-N 3.06Å
556	I	96.5	Very high	95.7	Very high	23 Å²	23	32.7 Å²	32.7	12%	0.118	16%	0.158	C	C	.	.	H	α-helix	trans	-52.8	-50.2	176.8	-54.7	168.9	0	0	0	110.5	Y552 H560 I620 D624 L629	Y552-I556 HydrophobicContact CD1-CD1 4.16Å; Y552-I556 HydrophobicContact CD1-CG1 4.37Å; Y552-I556 HydrophobicContact CE1-CD1 3.7Å; Y552-I556 HydrophobicContact CE1-CG1 3.91Å; I556-H560 PolarHBondContact O-N 3.21Å; I556-H560 PolarHBondContact O-ND1 3Å; I556-I620 HydrophobicContact CG1-CD1 4.4Å; I556-I620 HydrophobicContact CG2-CG2 4.38Å; I556-D624 HydrophobicContact CD1-CB 4.13Å; I556-D624 HydrophobicContact CG1-CB 4.41Å; I556-D624 HydrophobicContact CG2-CB 4.19Å; I556-L629 HydrophobicContact CG2-CD1 4.04Å
557	Y	96.8	Very high	95.5	Very high	10 Å²	10	29 Å²	29	4%	0.039	14%	0.141	C	C	.	.	H	α-helix	trans	-74.3	-45.5	-173.7	179.5	-111.9	0	0	0	114.4	L502 Q520 R523 V524 I527 Y555 V559 H560 W561 L629	L502-Y557 HydrophobicContact CD2-CD1 3.99Å; L502-Y557 HydrophobicContact CD2-CE1 3.82Å; Q520-Y557 WeakPolarHBondContact CA-OH 3.4Å; Q520-Y557 WeakPolarHBondContact CB-OH 3.17Å; Q520-Y557 VanDerWaalsContact CG-OH 3.3Å; Q520-Y557 WeakPolarHBondContact CG-OH 3.46Å; R523-Y557 HydrophobicContact CB-CD1 3.75Å; R523-Y557 HydrophobicContact CB-CD2 4.45Å; R523-Y557 HydrophobicContact CB-CE1 3.62Å; R523-Y557 HydrophobicContact CB-CE2 4.35Å; R523-Y557 HydrophobicContact CB-CG 4.18Å; R523-Y557 VanDerWaalsContact CD-CD2 3.48Å; R523-Y557 VanDerWaalsContact CD-CE2 3.44Å; V524-Y557 HydrophobicContact CG2-CD1 4.5Å; V524-Y557 HydrophobicContact CG2-CE1 3.81Å; I527-Y557 HydrophobicContact CD1-CD1 4.23Å; Y555-Y557 VanDerWaalsContact C-N 3.31Å; Y555-Y557 PolarHBondContact O-N 3.02Å; Y557-V559 VanDerWaalsContact C-N 3.3Å; Y557-V559 PolarHBondContact O-N 3.08Å; Y557-H560 PolarHBondContact O-N 3.27Å; Y557-W561 HydrophobicContact CE1-CB 4.46Å; Y557-W561 HydrophobicContact CE2-CB 4.25Å; Y557-W561 VanDerWaalsContact O-CB 3.27Å; Y557-W561 WeakPolarHBondContact O-CB 3.37Å; Y557-W561 PolarHBondContact O-N 3.25Å; Y557-L629 HydrophobicContact CD2-CB 4.45Å; Y557-L629 HydrophobicContact CD2-CD2 4.35Å
558	P	96.9	Very high	95	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-54.2	-41.2	172	-26.2	31.9	0	0	0	114.1	L498 K499 L502 I527 M554 Y555 W561 Q562	L498-P558 HydrophobicContact CB-CB 4.41Å; K499-P558 HydrophobicContact CB-CB 4.45Å; K499-P558 HydrophobicContact CB-CG 4.18Å; L502-P558 HydrophobicContact CD2-CB 4.11Å; L502-P558 HydrophobicContact CD2-CG 4.1Å; I527-P558 HydrophobicContact CD1-CG 4.24Å; M554-P558 WeakPolarHBondContact O-CD 3.18Å; M554-P558 VanDerWaalsContact O-CG 3.23Å; M554-P558 WeakPolarHBondContact O-CG 3.47Å; Y555-P558 WeakPolarHBondContact O-CD 3.3Å; P558-W561 PolarHBondContact O-N 2.85Å; P558-Q562 WeakPolarHBondContact O-CB 3.35Å; P558-Q562 PolarHBondContact O-N 2.95Å
559	V	97.3	Very high	94.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.8	-46	178.1	171.1	0	0	0	0	111.1	R495 Y555 Y557 F563 W614 T615 F618 I620	R495-V559 HydrophobicContact CG-CG2 4.2Å; Y555-V559 VanDerWaalsContact O-CG2 3.3Å; Y555-V559 WeakPolarHBondContact O-CG2 3.41Å; Y555-V559 PolarHBondContact O-N 3.06Å; Y557-V559 VanDerWaalsContact C-N 3.3Å; Y557-V559 PolarHBondContact O-N 3.08Å; V559-F563 PolarHBondContact O-N 3.17Å; V559-W614 PolarHBondContact O-NE1 2.94Å; V559-T615 HydrophobicContact CG1-CG2 4.29Å; V559-F618 HydrophobicContact CG1-CB 4Å; V559-F618 HydrophobicContact CG1-CD2 3.92Å; V559-F618 HydrophobicContact CG1-CG 4.29Å; V559-F618 HydrophobicContact CG2-CB 3.94Å; V559-F618 HydrophobicContact CG2-CG 4.28Å; V559-I620 HydrophobicContact CB-CG1 4.23Å; V559-I620 HydrophobicContact CG1-CG1 4.02Å; V559-I620 HydrophobicContact CG2-CD1 4.41Å; V559-I620 HydrophobicContact CG2-CG1 4.31Å
560	H	96.5	Very high	93.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68.9	-40.8	176.6	-76.1	84	0	0	0	113.1	I556 Y557 Q562 F563 A564 D624 V625 D626 L629 L630	I556-H560 PolarHBondContact O-N 3.21Å; I556-H560 PolarHBondContact O-ND1 3Å; Y557-H560 PolarHBondContact O-N 3.27Å; H560-Q562 VanDerWaalsContact C-N 3.34Å; H560-Q562 PolarHBondContact O-N 2.74Å; H560-F563 WeakPolarHBondContact O-CB 3.44Å; H560-F563 PolarHBondContact O-N 3Å; H560-A564 PolarHBondContact O-N 2.87Å; H560-D624 PolarHBondContact CE1-O 3.4Å; H560-D624 VanDerWaalsContact CE1-O 3.25Å; H560-V625 WeakPolarHBondContact NE2-CA 3.47Å; H560-D626 PolarHBondContact CD2-O 2.85Å; H560-D626 PolarHBondContact NE2-N 3.2Å; H560-D626 VanDerWaalsContact NE2-N 3.15Å; H560-L629 HydrophobicContact CB-CB 3.6Å; H560-L629 HydrophobicContact CB-CD1 3.89Å; H560-L629 HydrophobicContact CB-CG 4.38Å; H560-L629 VanDerWaalsContact CG-CD1 3.49Å; H560-L630 HydrophobicContact CB-CD2 4.19Å; H560-L630 VanDerWaalsContact O-CD2 3.22Å; H560-L630 WeakPolarHBondContact O-CD2 3.16Å
561	W	95.6	Very high	93.4	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-61	-44	178.8	169.6	85	0	0	0	111.1	G365 V501 L502 L505 Y557 P558 F563 A564 Q565	G365-W561 WeakPolarHBondContact O-CZ2 3.45Å; V501-W561 HydrophobicContact CG1-CH2 4.41Å; V501-W561 HydrophobicContact CG1-CZ3 4.46Å; L502-W561 HydrophobicContact CB-CE3 4.28Å; L502-W561 HydrophobicContact CB-CZ3 4.33Å; L502-W561 HydrophobicContact CD1-CD2 3.65Å; L502-W561 HydrophobicContact CD1-CE3 4.01Å; L502-W561 HydrophobicContact CD1-CG 4.1Å; L502-W561 HydrophobicContact CD1-CH2 4.27Å; L502-W561 HydrophobicContact CD1-CZ2 3.9Å; L502-W561 HydrophobicContact CD1-CZ3 4.31Å; L502-W561 HydrophobicContact CD2-CB 4.11Å; L502-W561 HydrophobicContact CD2-CD2 3.97Å; L502-W561 HydrophobicContact CD2-CE3 4.06Å; L502-W561 HydrophobicContact CD2-CG 4Å; L502-W561 HydrophobicContact CG-CD2 4.33Å; L502-W561 HydrophobicContact CG-CE3 4.35Å; L505-W561 HydrophobicContact CD1-CH2 3.38Å; L505-W561 HydrophobicContact CD1-CZ2 3.41Å; L505-W561 VanDerWaalsContact CD1-CZ2 3.41Å; Y557-W561 HydrophobicContact CE1-CB 4.46Å; Y557-W561 HydrophobicContact CE2-CB 4.25Å; Y557-W561 VanDerWaalsContact O-CB 3.27Å; Y557-W561 WeakPolarHBondContact O-CB 3.37Å; Y557-W561 PolarHBondContact O-N 3.25Å; P558-W561 PolarHBondContact O-N 2.85Å; W561-F563 VanDerWaalsContact C-N 3.34Å; W561-F563 PolarHBondContact O-N 2.79Å; W561-A564 PolarHBondContact O-N 3.43Å; W561-Q565 HydrophobicContact CD2-CG 4.08Å; W561-Q565 HydrophobicContact CE3-CG 4.42Å; W561-Q565 HydrophobicContact CH2-CG 3.97Å; W561-Q565 HydrophobicContact CZ2-CG 3.61Å; W561-Q565 HydrophobicContact CZ3-CG 4.36Å; W561-Q565 WeakPolarHBondContact O-CG 3.22Å; W561-Q565 PolarHBondContact O-N 3.17Å
562	Q	95.3	Very high	93.2	Very high	2 Å²	2	30 Å²	30	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-41.5	177.3	-178.3	69.5	9	0	0	111.8	L498 P558 H560 A564 Q565 L566 W614	L498-Q562 HydrophobicContact CD1-CB 3.92Å; L498-Q562 HydrophobicContact CD1-CG 3.98Å; L498-Q562 HydrophobicContact CD2-CB 3.81Å; L498-Q562 VanDerWaalsContact CD2-CD 3.43Å; L498-Q562 HydrophobicContact CD2-CG 3.42Å; L498-Q562 VanDerWaalsContact CD2-CG 3.42Å; L498-Q562 HydrophobicContact CG-CB 4.42Å; L498-Q562 HydrophobicContact CG-CG 4.35Å; P558-Q562 WeakPolarHBondContact O-CB 3.35Å; P558-Q562 PolarHBondContact O-N 2.95Å; H560-Q562 VanDerWaalsContact C-N 3.34Å; H560-Q562 PolarHBondContact O-N 2.74Å; Q562-A564 VanDerWaalsContact C-N 3.3Å; Q562-A564 PolarHBondContact O-N 3.42Å; Q562-Q565 WeakPolarHBondContact O-CA 3.45Å; Q562-Q565 WeakPolarHBondContact O-CB 3.33Å; Q562-Q565 PolarHBondContact O-N 3.43Å; Q562-L566 HydrophobicContact CG-CD1 4.33Å; Q562-L566 WeakPolarHBondContact O-CG 3.25Å; Q562-L566 PolarHBondContact O-N 2.77Å; Q562-W614 HydrophobicContact CB-CZ2 3.94Å; Q562-W614 HydrophobicContact CG-CH2 3.87Å; Q562-W614 HydrophobicContact CG-CZ2 3.71Å
563	F	95.9	Very high	92.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-54	-49.2	175.2	-172.9	-85.9	0	0	0	111	V559 H560 W561 Q565 L566 D567 R573 L575 L611 W614 L630	V559-F563 PolarHBondContact O-N 3.17Å; H560-F563 WeakPolarHBondContact O-CB 3.44Å; H560-F563 PolarHBondContact O-N 3Å; W561-F563 VanDerWaalsContact C-N 3.34Å; W561-F563 PolarHBondContact O-N 2.79Å; F563-Q565 PolarHBondContact O-N 2.83Å; F563-L566 PolarHBondContact O-N 3.25Å; F563-D567 HydrophobicContact CD1-CB 4.2Å; F563-D567 HydrophobicContact CE1-CB 3.94Å; F563-D567 WeakPolarHBondContact O-CB 3.42Å; F563-D567 PolarHBondContact O-N 3.11Å; F563-R573 HydrophobicContact CE1-CB 4.46Å; F563-R573 WeakPolarHBondContact CZ-O 3.28Å; F563-L575 HydrophobicContact CD2-CD1 3.67Å; F563-L575 HydrophobicContact CD2-CD2 4.38Å; F563-L575 HydrophobicContact CD2-CG 3.92Å; F563-L575 HydrophobicContact CE2-CD1 3.79Å; F563-L575 HydrophobicContact CE2-CD2 4.16Å; F563-L575 HydrophobicContact CE2-CG 3.55Å; F563-L575 HydrophobicContact CZ-CD2 4.28Å; F563-L575 HydrophobicContact CZ-CG 4.05Å; F563-L611 HydrophobicContact CB-CD1 4.23Å; F563-L611 HydrophobicContact CD1-CD1 3.74Å; F563-L611 HydrophobicContact CD2-CD1 4.09Å; F563-L611 HydrophobicContact CE1-CB 4.12Å; F563-L611 HydrophobicContact CE1-CD1 4.12Å; F563-L611 VanDerWaalsContact CE2-CA 3.49Å; F563-L611 HydrophobicContact CE2-CB 4.22Å; F563-L611 HydrophobicContact CE2-CD1 4.42Å; F563-L611 HydrophobicContact CG-CD1 3.74Å; F563-L611 HydrophobicContact CZ-CB 3.92Å; F563-L611 HydrophobicContact CZ-CD1 4.44Å; F563-W614 HydrophobicContact CB-CG 4.47Å; F563-W614 HydrophobicContact CD2-CB 3.77Å; F563-W614 AromaticContact CD2-CD1 3.75Å; F563-W614 AromaticContact CD2-CD2 3.87Å; F563-W614 HydrophobicContact CD2-CD2 3.87Å; F563-W614 HydrophobicContact CD2-CE3 4.45Å; F563-W614 AromaticContact CD2-CG 3.53Å; F563-W614 HydrophobicContact CD2-CG 3.53Å; F563-W614 HydrophobicContact CE2-CB 4.03Å; F563-W614 HydrophobicContact CE2-CG 4.27Å; F563-W614 HydrophobicContact CG-CG 4.44Å; F563-L630 HydrophobicContact CB-CD2 4.41Å; F563-L630 HydrophobicContact CD1-CD1 4.18Å; F563-L630 HydrophobicContact CD1-CD2 4.11Å; F563-L630 HydrophobicContact CE1-CD1 4.43Å
564	A	93.5	Very high	92.9	Very high	19 Å²	19	30.8 Å²	30.8	16%	0.157	16%	0.159	C	C	.	.	H	α-helix	trans	-66.3	-16.7	176	0	0	0	0	0	114.4	H560 W561 Q562 L630	H560-A564 PolarHBondContact O-N 2.87Å; W561-A564 PolarHBondContact O-N 3.43Å; Q562-A564 VanDerWaalsContact C-N 3.3Å; Q562-A564 PolarHBondContact O-N 3.42Å; A564-L630 HydrophobicContact CB-CB 3.97Å; A564-L630 HydrophobicContact CB-CD2 4.03Å
565	Q	91.5	Very high	92.9	Very high	17 Å²	17	30.3 Å²	30.3	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-82.7	-17	171	-63.2	-43.4	-38.7	0	0	114.1	G365 W561 Q562 F563 K568	G365-Q565 VanDerWaalsContact O-CG 3.25Å; G365-Q565 WeakPolarHBondContact O-CG 3.42Å; G365-Q565 PolarHBondContact O-OE1 2.78Å; G365-Q565 VanDerWaalsContact O-OE1 3.07Å; W561-Q565 HydrophobicContact CD2-CG 4.08Å; W561-Q565 HydrophobicContact CE3-CG 4.42Å; W561-Q565 HydrophobicContact CH2-CG 3.97Å; W561-Q565 HydrophobicContact CZ2-CG 3.61Å; W561-Q565 HydrophobicContact CZ3-CG 4.36Å; W561-Q565 WeakPolarHBondContact O-CG 3.22Å; W561-Q565 PolarHBondContact O-N 3.17Å; Q562-Q565 WeakPolarHBondContact O-CA 3.45Å; Q562-Q565 WeakPolarHBondContact O-CB 3.33Å; Q562-Q565 PolarHBondContact O-N 3.43Å; F563-Q565 PolarHBondContact O-N 2.83Å; Q565-K568 WeakPolarHBondContact O-CD 3.32Å; Q565-K568 WeakPolarHBondContact O-CE 3.43Å; Q565-K568 PolarHBondContact O-NZ 3.14Å
566	L	92.4	Very high	92.7	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.026	16%	0.164	C	C	.	.	H	α-helix	trans	-102	-42.1	179.8	-55.6	-179.7	0	0	0	111.8	Q562 F563 K568 L575 E579 L580 P582 L583 W614	Q562-L566 HydrophobicContact CG-CD1 4.33Å; Q562-L566 WeakPolarHBondContact O-CG 3.25Å; Q562-L566 PolarHBondContact O-N 2.77Å; F563-L566 PolarHBondContact O-N 3.25Å; L566-K568 PolarHBondContact O-N 2.9Å; L566-L575 HydrophobicContact CB-CD1 4.18Å; L566-L575 HydrophobicContact CB-CD2 3.62Å; L566-L575 HydrophobicContact CD1-CD1 4.09Å; L566-E579 WeakPolarHBondContact CD2-O 3.33Å; L566-E579 WeakPolarHBondContact O-CG 3.31Å; L566-L580 HydrophobicContact CD1-CD2 4.45Å; L566-P582 HydrophobicContact CD2-CB 4.22Å; L566-P582 HydrophobicContact CD2-CG 4.02Å; L566-L583 HydrophobicContact CD1-CD1 3.79Å; L566-L583 HydrophobicContact CD1-CG 4.05Å; L566-W614 HydrophobicContact CD1-CH2 4.05Å; L566-W614 HydrophobicContact CD1-CZ3 4.2Å
567	D	93.3	Very high	92.5	Very high	9 Å²	9	32.2 Å²	32.2	5%	0.048	17%	0.168	C	C	.	.			trans	-63.4	85.3	176.8	173.7	58.3	0	0	0	111.8	F563 S571 D572 R573 L575	F563-D567 HydrophobicContact CD1-CB 4.2Å; F563-D567 HydrophobicContact CE1-CB 3.94Å; F563-D567 WeakPolarHBondContact O-CB 3.42Å; F563-D567 PolarHBondContact O-N 3.11Å; D567-S571 WeakPolarHBondContact O-CB 3.41Å; D567-S571 VanDerWaalsContact OD1-CA 3.3Å; D567-S571 WeakPolarHBondContact OD1-CA 3.19Å; D567-S571 PolarHBondContact OD2-OG 2.94Å; D567-D572 PolarHBondContact OD1-N 3.04Å; D567-R573 WeakPolarHBondContact OD1-CA 3.45Å; D567-R573 PolarHBondContact OD1-N 2.87Å; D567-L575 HydrophobicContact CB-CD2 3.84Å; D567-L575 VanDerWaalsContact N-CD2 3.3Å
568	K	87.8	Confident	92.3	Very high	84 Å²	84	32.2 Å²	32.2	37%	0.365	17%	0.169	S	C	.	.			trans	-147.5	-15.9	-169	-76.3	177.8	-177.4	158.8	0	114.5	Q565 L566 E579	Q565-K568 WeakPolarHBondContact O-CD 3.32Å; Q565-K568 WeakPolarHBondContact O-CE 3.43Å; Q565-K568 PolarHBondContact O-NZ 3.14Å; L566-K568 PolarHBondContact O-N 2.9Å; K568-E579 PolarHBondContact N-OE1 2.04Å; K568-E579 VanDerWaalsContact N-OE1 3.1Å
569	H	82.6	Confident	92.1	Very high	65 Å²	65	32.6 Å²	32.6	30%	0.301	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.9	49.9	-164.6	-51.1	97.5	0	0	0	115.1	Y378 R406 E579	Y378-H569 AromaticContact CE2-CD2 3.95Å; Y378-H569 AromaticContact CE2-NE2 3.45Å; Y378-H569 WeakPolarHBondContact CE2-NE2 3.43Å; Y378-H569 AromaticContact CZ-CD2 3.88Å; Y378-H569 AromaticContact CZ-NE2 3.81Å; Y378-H569 PolarHBondContact OH-CD2 3.4Å; Y378-H569 VanDerWaalsContact OH-CD2 3.27Å; R406-H569 VanDerWaalsContact CZ-CD2 3.41Å; R406-H569 PolarHBondContact NE-CD2 3.13Å; R406-H569 PolarHBondContact NH2-CD2 2.88Å; R406-H569 PolarHBondContact NH2-CE1 3.32Å; R406-H569 PolarHBondContact NH2-ND1 2.88Å; R406-H569 VanDerWaalsContact NH2-ND1 3.17Å; R406-H569 PolarHBondContact NH2-NE2 2.95Å; H569-E579 WeakPolarHBondContact CA-OE1 3.29Å; H569-E579 HydrophobicContact CB-CG 4.23Å; H569-E579 WeakPolarHBondContact CB-OE1 3.49Å; H569-E579 PolarHBondContact N-OE1 3.08Å; H569-E579 IonicContact ND1-OE1 3.5Å
570	P	86.1	Confident	92	Very high	62 Å²	62	32.9 Å²	32.9	40%	0.403	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.3	169.2	11.8	38.2	-35.8	0	0	0	112.7	D572	P570-D572 HydrophobicContact CG-CB 4.16Å; P570-D572 VanDerWaalsContact CG-OD2 3.31Å; P570-D572 WeakPolarHBondContact CG-OD2 3.36Å; P570-D572 PolarHBondContact O-N 2.88Å; P570-D572 VanDerWaalsContact O-N 3.13Å
571	S	86.2	Confident	91.8	Very high	85 Å²	85	33 Å²	33	59%	0.594	17%	0.173	S	C	*	.			trans	-76.1	97	162.5	175.3	0	0	0	0	108.5	D567	D567-S571 WeakPolarHBondContact O-CB 3.41Å; D567-S571 VanDerWaalsContact OD1-CA 3.3Å; D567-S571 WeakPolarHBondContact OD1-CA 3.19Å; D567-S571 PolarHBondContact OD2-OG 2.94Å
572	D	90.1	Very high	91.6	Very high	83 Å²	83	35.1 Å²	35.1	44%	0.444	19%	0.188	S	C	.	.	S	Bend	trans	-123.3	0.1	176.7	66	31	0	0	0	113.8	D567 P570 T574	D567-D572 PolarHBondContact OD1-N 3.04Å; P570-D572 HydrophobicContact CG-CB 4.16Å; P570-D572 VanDerWaalsContact CG-OD2 3.31Å; P570-D572 WeakPolarHBondContact CG-OD2 3.36Å; P570-D572 PolarHBondContact O-N 2.88Å; P570-D572 VanDerWaalsContact O-N 3.13Å; D572-T574 WeakPolarHBondContact OD1-CB 3.49Å; D572-T574 PolarHBondContact OD1-N 3.36Å; D572-T574 PolarHBondContact OD1-OG1 3.44Å
573	R	91.4	Very high	91.5	Very high	142 Å²	142	35 Å²	35	54%	0.536	19%	0.187	S	C	.	.	S	Bend	trans	74	26.7	-176.9	-47.6	171.7	-179.1	174.7	-2.5	114.4	F563 D567	F563-R573 HydrophobicContact CE1-CB 4.46Å; F563-R573 WeakPolarHBondContact CZ-O 3.28Å; D567-R573 WeakPolarHBondContact OD1-CA 3.45Å; D567-R573 PolarHBondContact OD1-N 2.87Å
574	T	93.7	Very high	91.3	Very high	24 Å²	24	35.4 Å²	35.4	15%	0.147	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.7	163.6	74.3	0	0	0	0	109.3	D572 V609 T610	D572-T574 WeakPolarHBondContact OD1-CB 3.49Å; D572-T574 PolarHBondContact OD1-N 3.36Å; D572-T574 PolarHBondContact OD1-OG1 3.44Å; T574-V609 CarbonylContact C-O 3.6Å; T574-V609 WeakPolarHBondContact CA-O 3.49Å; T574-T610 HydrophobicContact CG2-CG2 4.35Å
575	L	94.4	Very high	91.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	113.6	174.1	-59.4	-177.1	0	0	0	109.8	F563 L566 D567 L580 Q608 V609 W614	F563-L575 HydrophobicContact CD2-CD1 3.67Å; F563-L575 HydrophobicContact CD2-CD2 4.38Å; F563-L575 HydrophobicContact CD2-CG 3.92Å; F563-L575 HydrophobicContact CE2-CD1 3.79Å; F563-L575 HydrophobicContact CE2-CD2 4.16Å; F563-L575 HydrophobicContact CE2-CG 3.55Å; F563-L575 HydrophobicContact CZ-CD2 4.28Å; F563-L575 HydrophobicContact CZ-CG 4.05Å; L566-L575 HydrophobicContact CB-CD1 4.18Å; L566-L575 HydrophobicContact CB-CD2 3.62Å; L566-L575 HydrophobicContact CD1-CD1 4.09Å; D567-L575 HydrophobicContact CB-CD2 3.84Å; D567-L575 VanDerWaalsContact N-CD2 3.3Å; L575-L580 HydrophobicContact CB-CD2 4.04Å; L575-L580 HydrophobicContact CB-CG 4.24Å; L575-L580 HydrophobicContact CD1-CD2 3.8Å; L575-Q608 WeakPolarHBondContact O-CA 3.48Å; L575-V609 HydrophobicContact CB-CB 4.37Å; L575-V609 PolarHBondContact N-O 3.32Å; L575-V609 PolarHBondContact O-N 2.04Å; L575-W614 HydrophobicContact CD1-CD2 4.24Å; L575-W614 HydrophobicContact CD1-CE3 3.56Å; L575-W614 HydrophobicContact CD1-CZ3 3.77Å
576	S	93.1	Very high	90.9	Very high	23 Å²	23	39.7 Å²	39.7	16%	0.161	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	159.5	170.2	75.2	0	0	0	0	111.2	S578 E579 L580	S576-S578 PolarHBondContact O-N 2.93Å; S576-S578 PolarHBondContact OG-N 3.34Å; S576-E579 VanDerWaalsContact CB-OE2 3.29Å; S576-E579 WeakPolarHBondContact CB-OE2 3.04Å; S576-E579 PolarHBondContact N-OE2 2.98Å; S576-E579 VanDerWaalsContact N-OE2 3.16Å; S576-E579 PolarHBondContact O-N 3.38Å; S576-E579 PolarHBondContact OG-OE2 3.28Å; S576-L580 PolarHBondContact O-N 3.05Å; S576-L580 VanDerWaalsContact O-N 3.12Å
577	H	92.8	Very high	90.7	Very high	44 Å²	44	45 Å²	45	20%	0.204	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-29.5	173.5	-168.6	-73.1	0	0	0	113.9	T441 H469 L470 D471 E579 R584	T441-H577 WeakPolarHBondContact CG2-CE1 3.22Å; H469-H577 HydrophobicContact CB-CB 4.1Å; L470-H577 PolarHBondContact O-ND1 3.46Å; D471-H577 IonicContact OD1-CE1 2.67Å; D471-H577 PolarHBondContact OD1-CE1 2.85Å; D471-H577 VanDerWaalsContact OD1-CE1 3.25Å; H577-E579 VanDerWaalsContact C-N 3.33Å; H577-R584 PolarHBondContact CD2-NH2 3.44Å; H577-R584 VanDerWaalsContact CE1-CZ 3.48Å; H577-R584 PolarHBondContact CE1-NH1 3.17Å; H577-R584 PolarHBondContact CE1-NH2 2.78Å; H577-R584 PolarHBondContact NE2-NH2 2.97Å; H577-R584 PolarHBondContact O-NH1 2.74Å
578	S	92.4	Very high	90.6	Very high	10 Å²	10	44.9 Å²	44.9	7%	0.07	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.7	178.6	-60.5	0	0	0	0	113.9	H469 L470 S576	H469-S578 WeakPolarHBondContact CB-OG 3.24Å; H469-S578 PolarHBondContact ND1-OG 3.35Å; L470-S578 PolarHBondContact N-OG 2.97Å; S576-S578 PolarHBondContact O-N 2.93Å; S576-S578 PolarHBondContact OG-N 3.34Å
579	E	93.3	Very high	90.8	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.037	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-20.9	176.8	-73.1	158.7	120.5	0	0	111.8	L566 K568 H569 S576 H577 A581 P582	L566-E579 WeakPolarHBondContact CD2-O 3.33Å; L566-E579 WeakPolarHBondContact O-CG 3.31Å; K568-E579 PolarHBondContact N-OE1 2.04Å; K568-E579 VanDerWaalsContact N-OE1 3.1Å; H569-E579 WeakPolarHBondContact CA-OE1 3.29Å; H569-E579 HydrophobicContact CB-CG 4.23Å; H569-E579 WeakPolarHBondContact CB-OE1 3.49Å; H569-E579 PolarHBondContact N-OE1 3.08Å; H569-E579 IonicContact ND1-OE1 3.5Å; S576-E579 VanDerWaalsContact CB-OE2 3.29Å; S576-E579 WeakPolarHBondContact CB-OE2 3.04Å; S576-E579 PolarHBondContact N-OE2 2.98Å; S576-E579 VanDerWaalsContact N-OE2 3.16Å; S576-E579 PolarHBondContact O-N 3.38Å; S576-E579 PolarHBondContact OG-OE2 3.28Å; H577-E579 VanDerWaalsContact C-N 3.33Å; E579-A581 PolarHBondContact O-N 2.89Å; E579-P582 WeakPolarHBondContact O-CD 3.02Å
580	L	93.9	Very high	91.3	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.037	23%	0.233	C	C	.	.	S	Bend	trans	-73	-12.7	164.9	-62.9	173.6	0	0	0	112.9	L566 L575 S576 P582 L583 F598 V609 W614	L566-L580 HydrophobicContact CD1-CD2 4.45Å; L575-L580 HydrophobicContact CB-CD2 4.04Å; L575-L580 HydrophobicContact CB-CG 4.24Å; L575-L580 HydrophobicContact CD1-CD2 3.8Å; S576-L580 PolarHBondContact O-N 3.05Å; S576-L580 VanDerWaalsContact O-N 3.12Å; L580-P582 VanDerWaalsContact C-CD 3.41Å; L580-L583 HydrophobicContact CD2-CD1 4.1Å; L580-L583 WeakPolarHBondContact O-CA 3.25Å; L580-L583 VanDerWaalsContact O-CB 3.28Å; L580-L583 WeakPolarHBondContact O-CB 3.08Å; L580-L583 PolarHBondContact O-N 3.46Å; L580-F598 HydrophobicContact CD1-CB 3.83Å; L580-F598 HydrophobicContact CD1-CD2 3.95Å; L580-F598 HydrophobicContact CD1-CG 3.87Å; L580-F598 HydrophobicContact CD2-CD1 4.48Å; L580-F598 HydrophobicContact CD2-CD2 3.99Å; L580-F598 HydrophobicContact CD2-CE1 4.49Å; L580-F598 HydrophobicContact CD2-CE2 4Å; L580-F598 HydrophobicContact CD2-CG 4.26Å; L580-F598 HydrophobicContact CD2-CZ 4.26Å; L580-F598 HydrophobicContact CG-CD2 4.46Å; L580-V609 HydrophobicContact CD1-CG2 4.18Å; L580-W614 HydrophobicContact CD2-CZ3 4.08Å
581	A	92.9	Very high	91.7	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.017	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-53.5	-36	-178.3	0	0	0	0	0	116.3	L470 D471 E579 L583 R584	L470-A581 HydrophobicContact CB-CB 4.48Å; L470-A581 HydrophobicContact CD2-CB 3.79Å; L470-A581 HydrophobicContact CG-CB 3.72Å; D471-A581 VanDerWaalsContact O-CA 3.25Å; D471-A581 WeakPolarHBondContact O-CA 3.48Å; D471-A581 VanDerWaalsContact O-CB 3.24Å; D471-A581 WeakPolarHBondContact O-CB 3.09Å; E579-A581 PolarHBondContact O-N 2.89Å; A581-L583 PolarHBondContact O-N 2.83Å; A581-R584 PolarHBondContact O-N 3.23Å
582	P	91.7	Very high	92.1	Very high	47 Å²	47	37 Å²	37	31%	0.305	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-63.8	-20.3	172.9	-22.4	36	0	0	0	114	L566 E579 L580 R584	L566-P582 HydrophobicContact CD2-CB 4.22Å; L566-P582 HydrophobicContact CD2-CG 4.02Å; E579-P582 WeakPolarHBondContact O-CD 3.02Å; L580-P582 VanDerWaalsContact C-CD 3.41Å; P582-R584 PolarHBondContact O-N 3.03Å
583	L	93.6	Very high	92.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-82.4	5.6	173.4	-56.5	177.6	0	0	0	112.9	M494 W497 L566 L580 A581 T594 F598 W614	M494-L583 HydrophobicContact CE-CB 4.35Å; M494-L583 HydrophobicContact CE-CD2 4.1Å; M494-L583 HydrophobicContact SD-CD2 4.15Å; W497-L583 HydrophobicContact CZ3-CD2 4.12Å; L566-L583 HydrophobicContact CD1-CD1 3.79Å; L566-L583 HydrophobicContact CD1-CG 4.05Å; L580-L583 HydrophobicContact CD2-CD1 4.1Å; L580-L583 WeakPolarHBondContact O-CA 3.25Å; L580-L583 VanDerWaalsContact O-CB 3.28Å; L580-L583 WeakPolarHBondContact O-CB 3.08Å; L580-L583 PolarHBondContact O-N 3.46Å; A581-L583 PolarHBondContact O-N 2.83Å; L583-T594 HydrophobicContact CB-CG2 3.75Å; L583-T594 WeakPolarHBondContact O-CG2 3.43Å; L583-T594 PolarHBondContact O-OG1 3.04Å; L583-F598 HydrophobicContact CD1-CE2 3.61Å; L583-F598 HydrophobicContact CD1-CZ 3.84Å; L583-W614 HydrophobicContact CD1-CH2 3.79Å; L583-W614 HydrophobicContact CD1-CZ3 3.82Å
584	R	91.6	Very high	92.6	Very high	7 Å²	7	26.3 Å²	26.3	3%	0.026	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-111.9	10.7	171.8	-61.5	-166.2	-167.3	96.2	-7.4	113.1	D471 H577 A581 P582 E591 T594 S595	D471-R584 WeakPolarHBondContact O-CD 3.33Å; D471-R584 PolarHBondContact O-NH1 3.28Å; D471-R584 WeakPolarHBondContact OD1-CD 3.4Å; D471-R584 IonicContact OD1-CZ 2.87Å; D471-R584 IonicContact OD1-NE 3.22Å; D471-R584 PolarHBondContact OD1-NE 3.34Å; D471-R584 VanDerWaalsContact OD1-NE 3.09Å; D471-R584 IonicContact OD1-NH1 3.57Å; D471-R584 PolarHBondContact OD1-NH1 3.16Å; D471-R584 VanDerWaalsContact OD1-NH1 3.13Å; D471-R584 IonicContact OD1-NH2 2.67Å; H577-R584 PolarHBondContact CD2-NH2 3.44Å; H577-R584 VanDerWaalsContact CE1-CZ 3.48Å; H577-R584 PolarHBondContact CE1-NH1 3.17Å; H577-R584 PolarHBondContact CE1-NH2 2.78Å; H577-R584 PolarHBondContact NE2-NH2 2.97Å; H577-R584 PolarHBondContact O-NH1 2.74Å; A581-R584 PolarHBondContact O-N 3.23Å; P582-R584 PolarHBondContact O-N 3.03Å; R584-E591 WeakPolarHBondContact O-CG 3.29Å; R584-T594 HydrophobicContact CG-CG2 3.79Å; R584-S595 VanDerWaalsContact CZ-OG 3.3Å; R584-S595 PolarHBondContact NE-OG 2.76Å; R584-S595 PolarHBondContact NH2-OG 3.45Å
585	A	89.1	Confident	92.6	Very high	29 Å²	29	26.4 Å²	26.4	24%	0.24	15%	0.154	C	C	.	.	S	Bend	trans	-71.2	144.6	173.2	0	0	0	0	0	110.8	L587 V588	A585-L587 PolarHBondContact O-N 2.96Å; A585-V588 HydrophobicContact CB-CG2 4.35Å; A585-V588 WeakPolarHBondContact O-CB 3.44Å; A585-V588 WeakPolarHBondContact O-CG2 3.47Å; A585-V588 PolarHBondContact O-N 2.94Å
586	P	86.6	Confident	92.6	Very high	97 Å²	97	29.9 Å²	29.9	63%	0.63	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-4.6	-177	-24.4	34	0	0	0	117.1
587	L	88.5	Confident	92.8	Very high	117 Å²	117	29.2 Å²	29.2	61%	0.613	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	1.8	176.3	-64	175.6	0	0	0	113	V369 W497 A585	V369-L587 HydrophobicContact CB-CD1 4.44Å; V369-L587 HydrophobicContact CG1-CD1 3.91Å; V369-L587 HydrophobicContact CG2-CD1 3.59Å; W497-L587 PolarHBondContact NE1-O 2.86Å; A585-L587 PolarHBondContact O-N 2.96Å
588	V	91.7	Very high	92.9	Very high	6 Å²	6	27.5 Å²	27.5	4%	0.036	16%	0.159	C	C	.	.	S	Bend	trans	-89.6	135.6	173.8	179.6	0	0	0	0	108.2	M494 W497 A585 M590 E591	M494-V588 HydrophobicContact CE-CG1 3.41Å; M494-V588 VanDerWaalsContact CE-CG1 3.41Å; M494-V588 HydrophobicContact SD-CG1 4.36Å; W497-V588 HydrophobicContact CH2-CG2 3.73Å; W497-V588 HydrophobicContact CZ2-CB 4.46Å; W497-V588 HydrophobicContact CZ2-CG2 3.81Å; W497-V588 HydrophobicContact CZ3-CG2 4.39Å; A585-V588 HydrophobicContact CB-CG2 4.35Å; A585-V588 WeakPolarHBondContact O-CB 3.44Å; A585-V588 WeakPolarHBondContact O-CG2 3.47Å; A585-V588 PolarHBondContact O-N 2.94Å; V588-M590 PolarHBondContact O-N 3.39Å; V588-E591 HydrophobicContact CB-CB 3.92Å; V588-E591 HydrophobicContact CG1-CB 4.3Å
589	P	91.9	Very high	93	Very high	33 Å²	33	32.6 Å²	32.6	21%	0.214	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	119	178.5	26.3	-34.7	0	0	0	111	R493 W497	R493-P589 HydrophobicContact CB-CB 4.12Å; R493-P589 HydrophobicContact CB-CG 4.2Å; W497-P589 HydrophobicContact CB-CG 3.88Å; W497-P589 HydrophobicContact CG-CG 4.02Å
590	M	93.4	Very high	93.1	Very high	37 Å²	37	38.9 Å²	38.9	18%	0.182	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	51.1	174.4	-58	153.6	64.1	0	0	111.9	E486 Q489 F490 R493 V588 H592 C593	E486-M590 VanDerWaalsContact CA-CE 3.41Å; E486-M590 HydrophobicContact CB-CE 3.34Å; E486-M590 HydrophobicContact CG-CE 3.81Å; E486-M590 VanDerWaalsContact O-CE 3.25Å; E486-M590 WeakPolarHBondContact O-CE 3.45Å; Q489-M590 HydrophobicContact CB-CE 4.21Å; F490-M590 HydrophobicContact CD2-CB 4.34Å; F490-M590 WeakPolarHBondContact CD2-O 3.23Å; F490-M590 WeakPolarHBondContact CE2-O 3.48Å; R493-M590 WeakPolarHBondContact CD-SD 3.01Å; V588-M590 PolarHBondContact O-N 3.39Å; M590-H592 PolarHBondContact O-N 2.89Å; M590-H592 VanDerWaalsContact O-N 3.16Å; M590-C593 WeakPolarHBondContact O-CB 3.1Å; M590-C593 PolarHBondContact O-N 3.03Å
591	E	92.8	Very high	93.1	Very high	36 Å²	36	39 Å²	39	17%	0.168	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.7	-171.3	90.2	-72.1	-169.2	0	0	113.4	K477 R584 V588 C593 T594	K477-E591 IonicContact NZ-OE1 2.66Å; K477-E591 PolarHBondContact NZ-OE1 2.98Å; R584-E591 WeakPolarHBondContact O-CG 3.29Å; V588-E591 HydrophobicContact CB-CB 3.92Å; V588-E591 HydrophobicContact CG1-CB 4.3Å; E591-C593 VanDerWaalsContact C-N 3.26Å; E591-C593 PolarHBondContact O-N 3.39Å; E591-T594 VanDerWaalsContact O-CB 3.28Å; E591-T594 WeakPolarHBondContact O-CB 3.49Å; E591-T594 PolarHBondContact O-N 2.67Å; E591-T594 PolarHBondContact O-OG1 3.03Å
592	H	94.9	Very high	93.2	Very high	26 Å²	26	39.6 Å²	39.6	12%	0.12	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.3	170.6	67.6	-61.1	0	0	0	113.4	I479 E486 M590	I479-H592 HydrophobicContact CG2-CB 3.68Å; E486-H592 VanDerWaalsContact CD-NE2 3.3Å; E486-H592 IonicContact OE1-CE1 3.48Å; E486-H592 PolarHBondContact OE1-CE1 2.04Å; E486-H592 IonicContact OE1-NE2 3.26Å; E486-H592 PolarHBondContact OE1-NE2 3.19Å; E486-H592 IonicContact OE2-CD2 3.94Å; E486-H592 IonicContact OE2-CE1 3.36Å; E486-H592 IonicContact OE2-NE2 2.66Å; E486-H592 PolarHBondContact OE2-NE2 3.12Å; M590-H592 PolarHBondContact O-N 2.89Å; M590-H592 VanDerWaalsContact O-N 3.16Å
593	C	96.6	Very high	93.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-80.7	-20	174.8	-69.2	0	0	0	0	113.8	C482 L487 F490 M590 E591 S595 L596 F597	C482-C593 HydrophobicContact CB-CB 3.86Å; C482-C593 WeakPolarHBondContact CB-SG 3.3Å; C482-C593 WeakPolarHBondContact SG-CA 3.48Å; C482-C593 WeakPolarHBondContact SG-CB 3.28Å; C482-C593 CovalentContact SG-SG 2.04Å; C482-C593 PolarHBondContact SG-SG 2.94Å; L487-C593 HydrophobicContact CD1-CB 4.37Å; F490-C593 HydrophobicContact CB-CB 4.34Å; F490-C593 HydrophobicContact CD2-CB 3.63Å; F490-C593 HydrophobicContact CE2-CB 4.17Å; F490-C593 HydrophobicContact CG-CB 4.12Å; M590-C593 WeakPolarHBondContact O-CB 3.1Å; M590-C593 PolarHBondContact O-N 3.03Å; E591-C593 VanDerWaalsContact C-N 3.26Å; E591-C593 PolarHBondContact O-N 3.39Å; C593-S595 VanDerWaalsContact C-N 3.28Å; C593-S595 PolarHBondContact O-N 3.46Å; C593-S595 VanDerWaalsContact O-N 3.16Å; C593-L596 PolarHBondContact O-N 3.44Å; C593-F597 PolarHBondContact O-N 2.8Å
594	T	95.3	Very high	93.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-49.8	-44.5	-175.6	-64.2	0	0	0	0	113.1	F490 L583 R584 E591 F598	F490-T594 WeakPolarHBondContact CE2-OG1 3.3Å; F490-T594 VanDerWaalsContact CZ-OG1 3.29Å; F490-T594 WeakPolarHBondContact CZ-OG1 3.01Å; L583-T594 HydrophobicContact CB-CG2 3.75Å; L583-T594 WeakPolarHBondContact O-CG2 3.43Å; L583-T594 PolarHBondContact O-OG1 3.04Å; R584-T594 HydrophobicContact CG-CG2 3.79Å; E591-T594 VanDerWaalsContact O-CB 3.28Å; E591-T594 WeakPolarHBondContact O-CB 3.49Å; E591-T594 PolarHBondContact O-N 2.67Å; E591-T594 PolarHBondContact O-OG1 3.03Å; T594-F598 HydrophobicContact CG2-CD2 3.89Å; T594-F598 HydrophobicContact CG2-CE2 3.94Å; T594-F598 VanDerWaalsContact O-CD2 3.25Å; T594-F598 WeakPolarHBondContact O-CD2 3.07Å; T594-F598 PolarHBondContact O-N 3.42Å
595	S	93.4	Very high	93.4	Very high	26 Å²	26	53.6 Å²	53.6	18%	0.182	29%	0.291	C	S	.	.	H	α-helix	trans	-66.2	-38.6	-179.5	-69.1	0	0	0	0	113.8	R584 C593 Q599	R584-S595 VanDerWaalsContact CZ-OG 3.3Å; R584-S595 PolarHBondContact NE-OG 2.76Å; R584-S595 PolarHBondContact NH2-OG 3.45Å; C593-S595 VanDerWaalsContact C-N 3.28Å; C593-S595 PolarHBondContact O-N 3.46Å; C593-S595 VanDerWaalsContact O-N 3.16Å; S595-Q599 VanDerWaalsContact O-CD 3.24Å; S595-Q599 WeakPolarHBondContact O-CG 3.04Å; S595-Q599 PolarHBondContact O-N 3.42Å; S595-Q599 PolarHBondContact O-NE2 3.09Å; S595-Q599 VanDerWaalsContact O-NE2 3.12Å
596	L	94.8	Very high	93.6	Very high	72 Å²	72	55.2 Å²	55.2	38%	0.377	30%	0.295	S	S	.	.	H	α-helix	trans	-77.9	-40.3	180	-62.8	-172.2	0	0	0	111.1	C482 L487 C593 F598 Q599 E600	C482-L596 HydrophobicContact CB-CD1 4.08Å; L487-L596 HydrophobicContact CD1-CB 4.24Å; L487-L596 HydrophobicContact CD2-CB 4.46Å; C593-L596 PolarHBondContact O-N 3.44Å; L596-F598 PolarHBondContact O-N 2.64Å; L596-Q599 WeakPolarHBondContact O-CB 3.33Å; L596-Q599 PolarHBondContact O-N 3.41Å; L596-Q599 VanDerWaalsContact O-N 3.09Å; L596-E600 PolarHBondContact O-N 3.21Å
597	F	96.6	Very high	93.8	Very high	10 Å²	10	56.7 Å²	56.7	4%	0.044	29%	0.292	C	S	.	.	H	α-helix	trans	-55.3	-53	177.2	178.5	-104.4	0	0	0	111.4	L487 F490 P491 C593 Q599 E600 C601 C617 F618	L487-F597 HydrophobicContact CD1-CB 3.86Å; F490-F597 HydrophobicContact CD1-CB 3.69Å; F490-F597 AromaticContact CD1-CD1 3.65Å; F490-F597 HydrophobicContact CD1-CD1 3.65Å; F490-F597 AromaticContact CD1-CD2 3.7Å; F490-F597 HydrophobicContact CD1-CD2 3.7Å; F490-F597 HydrophobicContact CD1-CE1 4.14Å; F490-F597 HydrophobicContact CD1-CE2 4.21Å; F490-F597 AromaticContact CD1-CG 3.38Å; F490-F597 HydrophobicContact CD1-CG 3.38Å; F490-F597 HydrophobicContact CD1-CZ 4.4Å; F490-F597 HydrophobicContact CE1-CB 3.78Å; F490-F597 AromaticContact CE1-CD1 3.38Å; F490-F597 HydrophobicContact CE1-CD1 3.38Å; F490-F597 HydrophobicContact CE1-CD2 4.31Å; F490-F597 AromaticContact CE1-CE1 3.98Å; F490-F597 HydrophobicContact CE1-CE1 3.98Å; F490-F597 AromaticContact CE1-CG 3.55Å; F490-F597 HydrophobicContact CE1-CG 3.55Å; F490-F597 HydrophobicContact CG-CB 4.46Å; F490-F597 HydrophobicContact CG-CG 4.46Å; P491-F597 HydrophobicContact CB-CE2 3.71Å; P491-F597 HydrophobicContact CB-CZ 3.84Å; P491-F597 HydrophobicContact CG-CE2 3.88Å; C593-F597 PolarHBondContact O-N 2.8Å; F597-Q599 PolarHBondContact O-N 2.83Å; F597-E600 WeakPolarHBondContact O-CA 3.45Å; F597-E600 PolarHBondContact O-N 3.47Å; F597-C601 VanDerWaalsContact CE1-SG 3.5Å; F597-C601 PolarHBondContact O-N 2.67Å; F597-C601 PolarHBondContact O-SG 2.84Å; F597-C617 HydrophobicContact CE1-CB 4.13Å; F597-C617 HydrophobicContact CE2-CB 4.45Å; F597-C617 HydrophobicContact CZ-CB 3.68Å; F597-C617 VanDerWaalsContact CZ-SG 3.53Å; F597-F618 AromaticContact CE1-CE1 3.91Å; F597-F618 HydrophobicContact CE1-CE1 3.91Å; F597-F618 HydrophobicContact CE1-CE2 4.39Å; F597-F618 AromaticContact CE1-CZ 3.75Å; F597-F618 HydrophobicContact CE1-CZ 3.75Å; F597-F618 HydrophobicContact CZ-CD1 4.43Å; F597-F618 HydrophobicContact CZ-CE1 4.03Å; F597-F618 HydrophobicContact CZ-CZ 4.3Å
598	F	96.1	Very high	94.1	Very high	8 Å²	8	54.4 Å²	54.4	4%	0.035	28%	0.278	C	S	.	.	H	α-helix	trans	-70.6	-16.4	179.8	-69.2	-61.1	0	0	0	114.2	L580 L583 T594 L596 C601 D602 V609 W614 F618	L580-F598 HydrophobicContact CD1-CB 3.83Å; L580-F598 HydrophobicContact CD1-CD2 3.95Å; L580-F598 HydrophobicContact CD1-CG 3.87Å; L580-F598 HydrophobicContact CD2-CD1 4.48Å; L580-F598 HydrophobicContact CD2-CD2 3.99Å; L580-F598 HydrophobicContact CD2-CE1 4.49Å; L580-F598 HydrophobicContact CD2-CE2 4Å; L580-F598 HydrophobicContact CD2-CG 4.26Å; L580-F598 HydrophobicContact CD2-CZ 4.26Å; L580-F598 HydrophobicContact CG-CD2 4.46Å; L583-F598 HydrophobicContact CD1-CE2 3.61Å; L583-F598 HydrophobicContact CD1-CZ 3.84Å; T594-F598 HydrophobicContact CG2-CD2 3.89Å; T594-F598 HydrophobicContact CG2-CE2 3.94Å; T594-F598 VanDerWaalsContact O-CD2 3.25Å; T594-F598 WeakPolarHBondContact O-CD2 3.07Å; T594-F598 PolarHBondContact O-N 3.42Å; L596-F598 PolarHBondContact O-N 2.64Å; F598-C601 HydrophobicContact CD1-CB 4.32Å; F598-D602 WeakPolarHBondContact O-CB 3.49Å; F598-D602 PolarHBondContact O-N 3.39Å; F598-D602 VanDerWaalsContact O-N 3.12Å; F598-V609 HydrophobicContact CB-CG2 4.11Å; F598-V609 HydrophobicContact CD1-CG1 4.43Å; F598-V609 HydrophobicContact CD1-CG2 4.11Å; F598-V609 HydrophobicContact CG-CG2 4.43Å; F598-W614 HydrophobicContact CD1-CE3 4.46Å; F598-W614 AromaticContact CE1-CE3 3.49Å; F598-W614 HydrophobicContact CE1-CE3 3.49Å; F598-W614 VanDerWaalsContact CE1-CE3 3.49Å; F598-W614 AromaticContact CE1-CZ3 3.54Å; F598-W614 HydrophobicContact CE1-CZ3 3.54Å; F598-W614 HydrophobicContact CE2-CZ3 4.29Å; F598-W614 AromaticContact CZ-CE3 3.82Å; F598-W614 HydrophobicContact CZ-CE3 3.82Å; F598-W614 HydrophobicContact CZ-CH2 4.12Å; F598-W614 AromaticContact CZ-CZ3 3.31Å; F598-W614 HydrophobicContact CZ-CZ3 3.31Å; F598-F618 HydrophobicContact CE1-CE2 4.22Å; F598-F618 HydrophobicContact CE1-CZ 4.28Å; F598-F618 HydrophobicContact CZ-CE2 4.22Å; F598-F618 AromaticContact CZ-CZ 3.96Å; F598-F618 HydrophobicContact CZ-CZ 3.96Å
599	Q	94.3	Very high	94.2	Very high	117 Å²	117	54.2 Å²	54.2	55%	0.547	28%	0.277	S	S	.	.	H	α-helix	trans	-79.7	-19.5	167.9	-72.8	168.2	34.4	0	0	113.4	S595 L596 F597	S595-Q599 VanDerWaalsContact O-CD 3.24Å; S595-Q599 WeakPolarHBondContact O-CG 3.04Å; S595-Q599 PolarHBondContact O-N 3.42Å; S595-Q599 PolarHBondContact O-NE2 3.09Å; S595-Q599 VanDerWaalsContact O-NE2 3.12Å; L596-Q599 WeakPolarHBondContact O-CB 3.33Å; L596-Q599 PolarHBondContact O-N 3.41Å; L596-Q599 VanDerWaalsContact O-N 3.09Å; F597-Q599 PolarHBondContact O-N 2.83Å
600	E	94.4	Very high	94.4	Very high	140 Å²	140	54.8 Å²	54.8	65%	0.654	28%	0.279	S	S	*	.	H	α-helix	trans	-87.9	-24	168.9	-67.5	-174.1	162.4	0	0	112	L487 L596 F597	L487-E600 WeakPolarHBondContact CD2-OE2 3.41Å; L596-E600 PolarHBondContact O-N 3.21Å; F597-E600 WeakPolarHBondContact O-CA 3.45Å; F597-E600 PolarHBondContact O-N 3.47Å
601	C	95	Very high	94.5	Very high	8 Å²	8	53.7 Å²	53.7	5%	0.054	27%	0.274	C	S	.	.	H	α-helix	trans	-75.6	-33.1	171.4	-52.1	0	0	0	0	113.6	F597 F598 A603 E613 C617	F597-C601 VanDerWaalsContact CE1-SG 3.5Å; F597-C601 PolarHBondContact O-N 2.67Å; F597-C601 PolarHBondContact O-SG 2.84Å; F598-C601 HydrophobicContact CD1-CB 4.32Å; C601-A603 PolarHBondContact O-N 2.84Å; C601-E613 WeakPolarHBondContact O-CB 3.48Å; C601-E613 WeakPolarHBondContact O-CG 3.21Å; C601-C617 VanDerWaalsContact CA-SG 3.51Å; C601-C617 HydrophobicContact CB-CB 3.83Å; C601-C617 WeakPolarHBondContact CB-SG 3.05Å; C601-C617 WeakPolarHBondContact SG-CB 3.14Å; C601-C617 CovalentContact SG-SG 2.03Å; C601-C617 PolarHBondContact SG-SG 3.43Å
602	D	95.6	Very high	94.6	Very high	15 Å²	15	58.3 Å²	58.3	8%	0.08	29%	0.294	C	S	.	.			trans	-65.5	95.2	175.7	176.1	10.4	0	0	0	110.1	F598 K605 D606 K607	F598-D602 WeakPolarHBondContact O-CB 3.49Å; F598-D602 PolarHBondContact O-N 3.39Å; F598-D602 VanDerWaalsContact O-N 3.12Å; D602-K605 WeakPolarHBondContact OD1-CA 3.29Å; D602-K605 PolarHBondContact OD1-N 3.07Å; D602-D606 PolarHBondContact OD1-N 3.46Å; D602-K607 VanDerWaalsContact OD2-CA 3.25Å; D602-K607 WeakPolarHBondContact OD2-CA 3.37Å; D602-K607 PolarHBondContact OD2-N 3.11Å; D602-K607 VanDerWaalsContact OD2-N 3.09Å
603	A	93.6	Very high	94.7	Very high	75 Å²	75	58.2 Å²	58.2	62%	0.62	29%	0.294	S	S	*	.	S	Bend	trans	-88.6	-34.1	-166.2	0	0	0	0	0	112.4	C601 E613	C601-A603 PolarHBondContact O-N 2.84Å; A603-E613 HydrophobicContact CB-CG 4.35Å; A603-E613 PolarHBondContact N-OE1 2.86Å
604	D	93.6	Very high	94.7	Very high	115 Å²	115	58.2 Å²	58.2	62%	0.615	29%	0.294	S	S	*	.	S	Bend	trans	-92.3	-13.9	175.8	77.2	19.3	0	0	0	114.2	D606	D604-D606 WeakPolarHBondContact OD1-CB 3.45Å; D604-D606 PolarHBondContact OD1-N 3.42Å
605	K	93.9	Very high	94.7	Very high	159 Å²	159	58.3 Å²	58.3	69%	0.691	29%	0.294	S	S	*	.			trans	77.7	28.7	171.1	-55.6	178.5	-177	177.9	0	114.4	D602 K607	D602-K605 WeakPolarHBondContact OD1-CA 3.29Å; D602-K605 PolarHBondContact OD1-N 3.07Å; K605-K607 VanDerWaalsContact C-N 3.31Å
606	D	92.3	Very high	94.9	Very high	62 Å²	62	60.7 Å²	60.7	33%	0.332	31%	0.311	S	S	.	.	S	Bend	trans	-76.9	-12.8	173.3	96	-16.6	0	0	0	114.4	D602 D604 Q608	D602-D606 PolarHBondContact OD1-N 3.46Å; D604-D606 WeakPolarHBondContact OD1-CB 3.45Å; D604-D606 PolarHBondContact OD1-N 3.42Å; D606-Q608 WeakPolarHBondContact OD1-CA 3.44Å; D606-Q608 WeakPolarHBondContact OD1-CB 3.5Å; D606-Q608 WeakPolarHBondContact OD1-CG 3.36Å; D606-Q608 PolarHBondContact OD1-N 3.46Å; D606-Q608 PolarHBondContact OD2-NE2 3.21Å
607	K	91.4	Very high	94.9	Very high	129 Å²	129	59 Å²	59	56%	0.561	30%	0.304	S	S	*	.	S	Bend	trans	75.4	21.4	-177.5	-47.6	179.8	-165.1	119.7	0	116	Y466 D602 K605	Y466-K607 PolarHBondContact OH-NZ 3.05Å; D602-K607 VanDerWaalsContact OD2-CA 3.25Å; D602-K607 WeakPolarHBondContact OD2-CA 3.37Å; D602-K607 PolarHBondContact OD2-N 3.11Å; D602-K607 VanDerWaalsContact OD2-N 3.09Å; K605-K607 VanDerWaalsContact C-N 3.31Å
608	Q	93.4	Very high	95	Very high	68 Å²	68	58.5 Å²	58.5	32%	0.318	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	165.4	168	-44.3	-178.9	118.4	0	0	107	L575 D606	L575-Q608 WeakPolarHBondContact O-CA 3.48Å; D606-Q608 WeakPolarHBondContact OD1-CA 3.44Å; D606-Q608 WeakPolarHBondContact OD1-CB 3.5Å; D606-Q608 WeakPolarHBondContact OD1-CG 3.36Å; D606-Q608 PolarHBondContact OD1-N 3.46Å; D606-Q608 PolarHBondContact OD2-NE2 3.21Å
609	V	95.8	Very high	94.9	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	110.8	173.1	-174.1	0	0	0	0	108	T574 L575 L580 F598 E613 W614	T574-V609 CarbonylContact C-O 3.6Å; T574-V609 WeakPolarHBondContact CA-O 3.49Å; L575-V609 HydrophobicContact CB-CB 4.37Å; L575-V609 PolarHBondContact N-O 3.32Å; L575-V609 PolarHBondContact O-N 2.04Å; L580-V609 HydrophobicContact CD1-CG2 4.18Å; F598-V609 HydrophobicContact CB-CG2 4.11Å; F598-V609 HydrophobicContact CD1-CG1 4.43Å; F598-V609 HydrophobicContact CD1-CG2 4.11Å; F598-V609 HydrophobicContact CG-CG2 4.43Å; V609-E613 HydrophobicContact CG1-CB 3.94Å; V609-W614 HydrophobicContact CG1-CB 3.92Å
610	T	95.6	Very high	95.1	Very high	44 Å²	44	54.6 Å²	54.6	27%	0.27	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	161.7	175.7	67.9	0	0	0	0	110.8	T574 K612 E613 W614	T574-T610 HydrophobicContact CG2-CG2 4.35Å; T610-K612 PolarHBondContact O-N 3.09Å; T610-K612 VanDerWaalsContact O-N 3.13Å; T610-E613 VanDerWaalsContact CB-OE2 3.24Å; T610-E613 WeakPolarHBondContact CB-OE2 3.33Å; T610-E613 VanDerWaalsContact CG2-OE2 3.27Å; T610-E613 WeakPolarHBondContact CG2-OE2 3.45Å; T610-E613 PolarHBondContact N-OE2 2.98Å; T610-E613 PolarHBondContact O-N 3.43Å; T610-E613 PolarHBondContact OG1-N 3.01Å; T610-E613 PolarHBondContact OG1-OE2 2.88Å; T610-W614 WeakPolarHBondContact O-CB 3.34Å; T610-W614 PolarHBondContact O-N 2.81Å
611	L	95.3	Very high	95.2	Very high	14 Å²	14	53.6 Å²	53.6	7%	0.073	29%	0.287	C	S	.	.	H	α-helix	trans	-49.9	-40.1	173.4	178.4	67.4	0	0	0	112.3	F563 T615 V625 V627 L630	F563-L611 HydrophobicContact CB-CD1 4.23Å; F563-L611 HydrophobicContact CD1-CD1 3.74Å; F563-L611 HydrophobicContact CD2-CD1 4.09Å; F563-L611 HydrophobicContact CE1-CB 4.12Å; F563-L611 HydrophobicContact CE1-CD1 4.12Å; F563-L611 VanDerWaalsContact CE2-CA 3.49Å; F563-L611 HydrophobicContact CE2-CB 4.22Å; F563-L611 HydrophobicContact CE2-CD1 4.42Å; F563-L611 HydrophobicContact CG-CD1 3.74Å; F563-L611 HydrophobicContact CZ-CB 3.92Å; F563-L611 HydrophobicContact CZ-CD1 4.44Å; L611-T615 HydrophobicContact CD1-CG2 4.28Å; L611-T615 WeakPolarHBondContact O-CG2 3.41Å; L611-T615 PolarHBondContact O-N 2.97Å; L611-T615 PolarHBondContact O-OG1 3.36Å; L611-V625 HydrophobicContact CD2-CG1 4Å; L611-V625 HydrophobicContact CG-CG1 4.07Å; L611-V627 HydrophobicContact CD2-CG2 3.92Å; L611-L630 HydrophobicContact CD1-CD1 4.28Å; L611-L630 HydrophobicContact CD1-CD2 4.07Å; L611-L630 HydrophobicContact CD2-CD1 4.07Å
612	K	94.9	Very high	95.1	Very high	133 Å²	133	58.8 Å²	58.8	58%	0.578	32%	0.315	S	S	*	.	H	α-helix	trans	-66.7	-49.2	-177.3	-74	-167	166.8	-145.9	0	112.5	T610 W614 T615 S616	T610-K612 PolarHBondContact O-N 3.09Å; T610-K612 VanDerWaalsContact O-N 3.13Å; K612-W614 VanDerWaalsContact C-N 3.34Å; K612-T615 WeakPolarHBondContact CA-OG1 3.05Å; K612-T615 PolarHBondContact O-N 3.11Å; K612-T615 PolarHBondContact O-OG1 2.98Å; K612-S616 VanDerWaalsContact O-CB 3.26Å; K612-S616 WeakPolarHBondContact O-CB 3.35Å; K612-S616 PolarHBondContact O-N 3.16Å
613	E	96.6	Very high	95	Very high	25 Å²	25	65.7 Å²	65.7	12%	0.117	35%	0.352	C	S	.	.	H	α-helix	trans	-62	-45.7	178.4	-71.2	158.2	128.3	0	0	110.3	C601 A603 V609 T610 T615 S616 C617	C601-E613 WeakPolarHBondContact O-CB 3.48Å; C601-E613 WeakPolarHBondContact O-CG 3.21Å; A603-E613 HydrophobicContact CB-CG 4.35Å; A603-E613 PolarHBondContact N-OE1 2.86Å; V609-E613 HydrophobicContact CG1-CB 3.94Å; T610-E613 VanDerWaalsContact CB-OE2 3.24Å; T610-E613 WeakPolarHBondContact CB-OE2 3.33Å; T610-E613 VanDerWaalsContact CG2-OE2 3.27Å; T610-E613 WeakPolarHBondContact CG2-OE2 3.45Å; T610-E613 PolarHBondContact N-OE2 2.98Å; T610-E613 PolarHBondContact O-N 3.43Å; T610-E613 PolarHBondContact OG1-N 3.01Å; T610-E613 PolarHBondContact OG1-OE2 2.88Å; E613-T615 PolarHBondContact O-N 3Å; E613-S616 PolarHBondContact O-N 2.8Å; E613-C617 WeakPolarHBondContact O-CB 3.16Å; E613-C617 PolarHBondContact O-N 2.99Å
614	W	96.7	Very high	95.1	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-53.5	-53.2	173	172.4	-87.5	0	0	0	112.1	L498 V559 Q562 F563 L566 L575 L580 L583 F598 V609 T610 K612 S616 C617 F618	L498-W614 HydrophobicContact CD1-CZ2 4.23Å; V559-W614 PolarHBondContact O-NE1 2.94Å; Q562-W614 HydrophobicContact CB-CZ2 3.94Å; Q562-W614 HydrophobicContact CG-CH2 3.87Å; Q562-W614 HydrophobicContact CG-CZ2 3.71Å; F563-W614 HydrophobicContact CB-CG 4.47Å; F563-W614 HydrophobicContact CD2-CB 3.77Å; F563-W614 AromaticContact CD2-CD1 3.75Å; F563-W614 AromaticContact CD2-CD2 3.87Å; F563-W614 HydrophobicContact CD2-CD2 3.87Å; F563-W614 HydrophobicContact CD2-CE3 4.45Å; F563-W614 AromaticContact CD2-CG 3.53Å; F563-W614 HydrophobicContact CD2-CG 3.53Å; F563-W614 HydrophobicContact CE2-CB 4.03Å; F563-W614 HydrophobicContact CE2-CG 4.27Å; F563-W614 HydrophobicContact CG-CG 4.44Å; L566-W614 HydrophobicContact CD1-CH2 4.05Å; L566-W614 HydrophobicContact CD1-CZ3 4.2Å; L575-W614 HydrophobicContact CD1-CD2 4.24Å; L575-W614 HydrophobicContact CD1-CE3 3.56Å; L575-W614 HydrophobicContact CD1-CZ3 3.77Å; L580-W614 HydrophobicContact CD2-CZ3 4.08Å; L583-W614 HydrophobicContact CD1-CH2 3.79Å; L583-W614 HydrophobicContact CD1-CZ3 3.82Å; F598-W614 HydrophobicContact CD1-CE3 4.46Å; F598-W614 AromaticContact CE1-CE3 3.49Å; F598-W614 HydrophobicContact CE1-CE3 3.49Å; F598-W614 VanDerWaalsContact CE1-CE3 3.49Å; F598-W614 AromaticContact CE1-CZ3 3.54Å; F598-W614 HydrophobicContact CE1-CZ3 3.54Å; F598-W614 HydrophobicContact CE2-CZ3 4.29Å; F598-W614 AromaticContact CZ-CE3 3.82Å; F598-W614 HydrophobicContact CZ-CE3 3.82Å; F598-W614 HydrophobicContact CZ-CH2 4.12Å; F598-W614 AromaticContact CZ-CZ3 3.31Å; F598-W614 HydrophobicContact CZ-CZ3 3.31Å; V609-W614 HydrophobicContact CG1-CB 3.92Å; T610-W614 WeakPolarHBondContact O-CB 3.34Å; T610-W614 PolarHBondContact O-N 2.81Å; K612-W614 VanDerWaalsContact C-N 3.34Å; W614-S616 PolarHBondContact O-N 2.03Å; W614-C617 PolarHBondContact O-N 3.16Å; W614-F618 HydrophobicContact CD2-CD2 4.17Å; W614-F618 AromaticContact CD2-CE2 3.75Å; W614-F618 HydrophobicContact CD2-CE2 3.75Å; W614-F618 AromaticContact CE2-CD2 3.92Å; W614-F618 AromaticContact CE2-CE2 3.58Å; W614-F618 AromaticContact CE3-CE2 3.95Å; W614-F618 HydrophobicContact CE3-CE2 3.95Å; W614-F618 HydrophobicContact CG-CD2 4.41Å; W614-F618 HydrophobicContact CG-CE2 4.41Å; W614-F618 AromaticContact CH2-CE2 3.81Å; W614-F618 HydrophobicContact CH2-CE2 3.81Å; W614-F618 HydrophobicContact CH2-CZ 4.35Å; W614-F618 HydrophobicContact CZ2-CD2 4.26Å; W614-F618 AromaticContact CZ2-CE2 3.61Å; W614-F618 HydrophobicContact CZ2-CE2 3.61Å; W614-F618 HydrophobicContact CZ2-CZ 4.44Å; W614-F618 AromaticContact CZ3-CE2 4Å; W614-F618 HydrophobicContact CZ3-CE2 4Å; W614-F618 WeakPolarHBondContact O-CD2 3.46Å; W614-F618 PolarHBondContact O-N 3.43Å
615	T	96.1	Very high	95.1	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-41.8	-180	44.8	0	0	0	0	112.6	V559 L611 K612 E613 F618 G619 I620 V625	V559-T615 HydrophobicContact CG1-CG2 4.29Å; L611-T615 HydrophobicContact CD1-CG2 4.28Å; L611-T615 WeakPolarHBondContact O-CG2 3.41Å; L611-T615 PolarHBondContact O-N 2.97Å; L611-T615 PolarHBondContact O-OG1 3.36Å; K612-T615 WeakPolarHBondContact CA-OG1 3.05Å; K612-T615 PolarHBondContact O-N 3.11Å; K612-T615 PolarHBondContact O-OG1 2.98Å; E613-T615 PolarHBondContact O-N 3Å; T615-F618 PolarHBondContact O-N 3.31Å; T615-G619 PolarHBondContact O-N 2.72Å; T615-I620 WeakPolarHBondContact O-CB 3.33Å; T615-I620 PolarHBondContact O-N 2.95Å; T615-V625 HydrophobicContact CG2-CG1 4.23Å; T615-V625 HydrophobicContact CG2-CG2 4.18Å; T615-V625 VanDerWaalsContact OG1-CG2 3.27Å; T615-V625 WeakPolarHBondContact OG1-CG2 3.03Å
616	S	96.3	Very high	95	Very high	77 Å²	77	55.2 Å²	55.2	54%	0.538	29%	0.294	S	S	.	.	H	α-helix	trans	-64.6	-42.2	179.4	-173.7	0	0	0	0	111.5	K612 E613 W614 F618 G619	K612-S616 VanDerWaalsContact O-CB 3.26Å; K612-S616 WeakPolarHBondContact O-CB 3.35Å; K612-S616 PolarHBondContact O-N 3.16Å; E613-S616 PolarHBondContact O-N 2.8Å; W614-S616 PolarHBondContact O-N 2.03Å; S616-F618 VanDerWaalsContact C-N 3.26Å; S616-F618 PolarHBondContact O-N 3.01Å; S616-G619 WeakPolarHBondContact O-CA 3.46Å; S616-G619 PolarHBondContact O-N 2.77Å
617	C	96.4	Very high	95	Very high	35 Å²	35	55 Å²	55	24%	0.236	30%	0.295	C	S	.	.	H	α-helix	trans	-64.9	-27.9	178.7	-125.6	0	0	0	0	113.1	F597 C601 E613 W614 G619	F597-C617 HydrophobicContact CE1-CB 4.13Å; F597-C617 HydrophobicContact CE2-CB 4.45Å; F597-C617 HydrophobicContact CZ-CB 3.68Å; F597-C617 VanDerWaalsContact CZ-SG 3.53Å; C601-C617 VanDerWaalsContact CA-SG 3.51Å; C601-C617 HydrophobicContact CB-CB 3.83Å; C601-C617 WeakPolarHBondContact CB-SG 3.05Å; C601-C617 WeakPolarHBondContact SG-CB 3.14Å; C601-C617 CovalentContact SG-SG 2.03Å; C601-C617 PolarHBondContact SG-SG 3.43Å; E613-C617 WeakPolarHBondContact O-CB 3.16Å; E613-C617 PolarHBondContact O-N 2.99Å; W614-C617 PolarHBondContact O-N 3.16Å; C617-G619 VanDerWaalsContact C-N 3.33Å
618	F	97.1	Very high	94.9	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	4	171.3	-69.1	-60.6	0	0	0	114.3	P491 M494 R495 V559 F597 F598 W614 T615 S616	P491-F618 HydrophobicContact CB-CD1 4.35Å; M494-F618 HydrophobicContact CB-CE1 3.87Å; M494-F618 HydrophobicContact CG-CE1 3.44Å; M494-F618 VanDerWaalsContact CG-CE1 3.44Å; M494-F618 HydrophobicContact CG-CZ 3.63Å; R495-F618 HydrophobicContact CB-CD1 4.3Å; R495-F618 PolarHBondContact NH1-O 3.43Å; V559-F618 HydrophobicContact CG1-CB 4Å; V559-F618 HydrophobicContact CG1-CD2 3.92Å; V559-F618 HydrophobicContact CG1-CG 4.29Å; V559-F618 HydrophobicContact CG2-CB 3.94Å; V559-F618 HydrophobicContact CG2-CG 4.28Å; F597-F618 AromaticContact CE1-CE1 3.91Å; F597-F618 HydrophobicContact CE1-CE1 3.91Å; F597-F618 HydrophobicContact CE1-CE2 4.39Å; F597-F618 AromaticContact CE1-CZ 3.75Å; F597-F618 HydrophobicContact CE1-CZ 3.75Å; F597-F618 HydrophobicContact CZ-CD1 4.43Å; F597-F618 HydrophobicContact CZ-CE1 4.03Å; F597-F618 HydrophobicContact CZ-CZ 4.3Å; F598-F618 HydrophobicContact CE1-CE2 4.22Å; F598-F618 HydrophobicContact CE1-CZ 4.28Å; F598-F618 HydrophobicContact CZ-CE2 4.22Å; F598-F618 AromaticContact CZ-CZ 3.96Å; F598-F618 HydrophobicContact CZ-CZ 3.96Å; W614-F618 HydrophobicContact CD2-CD2 4.17Å; W614-F618 AromaticContact CD2-CE2 3.75Å; W614-F618 HydrophobicContact CD2-CE2 3.75Å; W614-F618 AromaticContact CE2-CD2 3.92Å; W614-F618 AromaticContact CE2-CE2 3.58Å; W614-F618 AromaticContact CE3-CE2 3.95Å; W614-F618 HydrophobicContact CE3-CE2 3.95Å; W614-F618 HydrophobicContact CG-CD2 4.41Å; W614-F618 HydrophobicContact CG-CE2 4.41Å; W614-F618 AromaticContact CH2-CE2 3.81Å; W614-F618 HydrophobicContact CH2-CE2 3.81Å; W614-F618 HydrophobicContact CH2-CZ 4.35Å; W614-F618 HydrophobicContact CZ2-CD2 4.26Å; W614-F618 AromaticContact CZ2-CE2 3.61Å; W614-F618 HydrophobicContact CZ2-CE2 3.61Å; W614-F618 HydrophobicContact CZ2-CZ 4.44Å; W614-F618 AromaticContact CZ3-CE2 4Å; W614-F618 HydrophobicContact CZ3-CE2 4Å; W614-F618 WeakPolarHBondContact O-CD2 3.46Å; W614-F618 PolarHBondContact O-N 3.43Å; T615-F618 PolarHBondContact O-N 3.31Å; S616-F618 VanDerWaalsContact C-N 3.26Å; S616-F618 PolarHBondContact O-N 3.01Å
619	G	95.5	Very high	94.6	Very high	37 Å²	37	51.7 Å²	51.7	38%	0.381	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	14.7	176.7	0	0	0	0	0	114.8	F548 T615 S616 C617	F548-G619 WeakPolarHBondContact CZ-O 3.33Å; T615-G619 PolarHBondContact O-N 2.72Å; S616-G619 WeakPolarHBondContact O-CA 3.46Å; S616-G619 PolarHBondContact O-N 2.77Å; C617-G619 VanDerWaalsContact C-N 3.33Å
620	I	97.3	Very high	94.1	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.026	29%	0.294	C	S	.	.			trans	-76.8	132.3	173.2	-52	-55.1	0	0	0	108.5	F548 Y552 I556 V559 T615 D624	F548-I620 HydrophobicContact CE2-CD1 4.15Å; F548-I620 HydrophobicContact CZ-CD1 4.33Å; Y552-I620 HydrophobicContact CE2-CD1 4.15Å; I556-I620 HydrophobicContact CG1-CD1 4.4Å; I556-I620 HydrophobicContact CG2-CG2 4.38Å; V559-I620 HydrophobicContact CB-CG1 4.23Å; V559-I620 HydrophobicContact CG1-CG1 4.02Å; V559-I620 HydrophobicContact CG2-CD1 4.41Å; V559-I620 HydrophobicContact CG2-CG1 4.31Å; T615-I620 WeakPolarHBondContact O-CB 3.33Å; T615-I620 PolarHBondContact O-N 2.95Å; I620-D624 HydrophobicContact CG2-CB 3.82Å
621	K	96.2	Very high	93.3	Very high	119 Å²	119	55 Å²	55	52%	0.517	30%	0.298	S	S	.	.			trans	-71.4	148.6	-178.4	-57.6	162.9	-167.9	159.5	0	110.7	Y552 D623 D624 V625	Y552-K621 HydrophobicContact CE1-CD 4.34Å; Y552-K621 WeakPolarHBondContact OH-CG 3.28Å; Y552-K621 PolarHBondContact OH-N 2.75Å; K621-D623 PolarHBondContact O-N 3.49Å; K621-D623 VanDerWaalsContact O-N 3.15Å; K621-D624 PolarHBondContact O-N 3.43Å; K621-V625 WeakPolarHBondContact O-CG2 3.27Å
622	D	93.8	Very high	93.2	Very high	117 Å²	117	57.1 Å²	57.1	63%	0.626	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-52.8	-36.3	178.4	-73.7	-57.1	0	0	0	113.9	D624 V625	D622-D624 VanDerWaalsContact C-N 3.25Å; D622-D624 PolarHBondContact O-N 2.7Å; D622-V625 PolarHBondContact O-N 3.27Å
623	D	93.8	Very high	93.1	Very high	160 Å²	160	53.1 Å²	53.1	86%	0.856	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-66.7	-23.7	178.2	-64	-45.9	0	0	0	113.5	K621	K621-D623 PolarHBondContact O-N 3.49Å; K621-D623 VanDerWaalsContact O-N 3.15Å
624	D	94.8	Very high	92.9	Very high	47 Å²	47	54.6 Å²	54.6	25%	0.251	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-95.2	2.4	179.8	-64.8	-64.8	0	0	0	112.7	Y552 I556 H560 I620 K621 D622 D626	Y552-D624 WeakPolarHBondContact CE1-OD2 3.38Å; Y552-D624 VanDerWaalsContact CZ-OD2 3.29Å; Y552-D624 PolarHBondContact OH-OD2 2.73Å; I556-D624 HydrophobicContact CD1-CB 4.13Å; I556-D624 HydrophobicContact CG1-CB 4.41Å; I556-D624 HydrophobicContact CG2-CB 4.19Å; H560-D624 PolarHBondContact CE1-O 3.4Å; H560-D624 VanDerWaalsContact CE1-O 3.25Å; I620-D624 HydrophobicContact CG2-CB 3.82Å; K621-D624 PolarHBondContact O-N 3.43Å; D622-D624 VanDerWaalsContact C-N 3.25Å; D622-D624 PolarHBondContact O-N 2.7Å; D624-D626 PolarHBondContact O-N 3.15Å; D624-D626 VanDerWaalsContact O-N 3.13Å
625	V	93.9	Very high	92.7	Very high	31 Å²	31	57.8 Å²	57.8	19%	0.188	32%	0.322	C	S	.	.			trans	-81.9	87.1	-179.7	-174.9	0	0	0	0	110.8	H560 L611 T615 K621 D622	H560-V625 WeakPolarHBondContact NE2-CA 3.47Å; L611-V625 HydrophobicContact CD2-CG1 4Å; L611-V625 HydrophobicContact CG-CG1 4.07Å; T615-V625 HydrophobicContact CG2-CG1 4.23Å; T615-V625 HydrophobicContact CG2-CG2 4.18Å; T615-V625 VanDerWaalsContact OG1-CG2 3.27Å; T615-V625 WeakPolarHBondContact OG1-CG2 3.03Å; K621-V625 WeakPolarHBondContact O-CG2 3.27Å; D622-V625 PolarHBondContact O-N 3.27Å
626	D	92.1	Very high	92.5	Very high	52 Å²	52	61.4 Å²	61.4	28%	0.278	34%	0.342	S	S	.	.			trans	-106.6	112.2	-174.7	175.8	29.7	0	0	0	112.8	H560 D624 N628 L629	H560-D626 PolarHBondContact CD2-O 2.85Å; H560-D626 PolarHBondContact NE2-N 3.2Å; H560-D626 VanDerWaalsContact NE2-N 3.15Å; D624-D626 PolarHBondContact O-N 3.15Å; D624-D626 VanDerWaalsContact O-N 3.13Å; D626-N628 PolarHBondContact O-N 2.6Å; D626-N628 WeakPolarHBondContact OD1-CA 3.03Å; D626-N628 VanDerWaalsContact OD1-CB 3.22Å; D626-N628 WeakPolarHBondContact OD1-CB 3.47Å; D626-N628 PolarHBondContact OD1-N 3Å; D626-N628 PolarHBondContact OD1-ND2 2.81Å; D626-L629 HydrophobicContact CB-CD1 4Å; D626-L629 HydrophobicContact CB-CG 3.81Å; D626-L629 VanDerWaalsContact O-CB 3.26Å; D626-L629 WeakPolarHBondContact O-CB 3Å; D626-L629 VanDerWaalsContact O-CG 3.27Å; D626-L629 WeakPolarHBondContact O-CG 3.45Å; D626-L629 PolarHBondContact O-N 3.29Å
627	V	91.5	Very high	92.2	Very high	58 Å²	58	60.3 Å²	60.3	35%	0.352	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-60.7	-23.3	173.6	-179.4	0	0	0	0	111.9	L611 L629 L630	L611-V627 HydrophobicContact CD2-CG2 3.92Å; V627-L629 PolarHBondContact O-N 2.89Å; V627-L629 VanDerWaalsContact O-N 3.17Å; V627-L630 HydrophobicContact CG1-CD1 4.47Å; V627-L630 PolarHBondContact O-N 2.97Å
628	N	89.7	Confident	91.9	Very high	122 Å²	122	62.1 Å²	62.1	65%	0.652	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-76.6	12.4	173.8	-50.1	-86.7	0	0	0	113.2	D626 F631	D626-N628 PolarHBondContact O-N 2.6Å; D626-N628 WeakPolarHBondContact OD1-CA 3.03Å; D626-N628 VanDerWaalsContact OD1-CB 3.22Å; D626-N628 WeakPolarHBondContact OD1-CB 3.47Å; D626-N628 PolarHBondContact OD1-N 3Å; D626-N628 PolarHBondContact OD1-ND2 2.81Å; N628-F631 WeakPolarHBondContact O-CD1 3.41Å; N628-F631 WeakPolarHBondContact O-CE1 3.48Å
629	L	88.3	Confident	91.5	Very high	5 Å²	5	66.8 Å²	66.8	3%	0.026	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-97.1	-11.6	167.9	-55.8	-176.4	0	0	0	113.5	I556 Y557 H560 D626 V627 F631	I556-L629 HydrophobicContact CG2-CD1 4.04Å; Y557-L629 HydrophobicContact CD2-CB 4.45Å; Y557-L629 HydrophobicContact CD2-CD2 4.35Å; H560-L629 HydrophobicContact CB-CB 3.6Å; H560-L629 HydrophobicContact CB-CD1 3.89Å; H560-L629 HydrophobicContact CB-CG 4.38Å; H560-L629 VanDerWaalsContact CG-CD1 3.49Å; D626-L629 HydrophobicContact CB-CD1 4Å; D626-L629 HydrophobicContact CB-CG 3.81Å; D626-L629 VanDerWaalsContact O-CB 3.26Å; D626-L629 WeakPolarHBondContact O-CB 3Å; D626-L629 VanDerWaalsContact O-CG 3.27Å; D626-L629 WeakPolarHBondContact O-CG 3.45Å; D626-L629 PolarHBondContact O-N 3.29Å; V627-L629 PolarHBondContact O-N 2.89Å; V627-L629 VanDerWaalsContact O-N 3.17Å; L629-F631 VanDerWaalsContact C-N 3.34Å; L629-F631 PolarHBondContact O-N 3.35Å
630	L	84.9	Confident	91.2	Very high	39 Å²	39	69.3 Å²	69.3	20%	0.204	36%	0.359	C	S	.	.			trans	-90	54.1	-174	-49.7	-176.9	0	0	0	112.6	H560 F563 A564 L611 V627	H560-L630 HydrophobicContact CB-CD2 4.19Å; H560-L630 VanDerWaalsContact O-CD2 3.22Å; H560-L630 WeakPolarHBondContact O-CD2 3.16Å; F563-L630 HydrophobicContact CB-CD2 4.41Å; F563-L630 HydrophobicContact CD1-CD1 4.18Å; F563-L630 HydrophobicContact CD1-CD2 4.11Å; F563-L630 HydrophobicContact CE1-CD1 4.43Å; A564-L630 HydrophobicContact CB-CB 3.97Å; A564-L630 HydrophobicContact CB-CD2 4.03Å; L611-L630 HydrophobicContact CD1-CD1 4.28Å; L611-L630 HydrophobicContact CD1-CD2 4.07Å; L611-L630 HydrophobicContact CD2-CD1 4.07Å; V627-L630 HydrophobicContact CG1-CD1 4.47Å; V627-L630 PolarHBondContact O-N 2.97Å
631	F	77.9	Confident	90.6	Very high	77 Å²	77	75.2 Å²	75.2	34%	0.338	39%	0.39	S	S	.	.			trans	-130.2	0	-175.5	66.6	-105.4	0	0	0	113.3	K519 Q520 N628 L629	K519-F631 HydrophobicContact CB-CD2 3.83Å; K519-F631 HydrophobicContact CB-CE2 3.2Å; K519-F631 HydrophobicContact CB-CZ 3.79Å; K519-F631 HydrophobicContact CD-CD2 3.94Å; K519-F631 HydrophobicContact CD-CE2 3.94Å; K519-F631 HydrophobicContact CD-CG 4.39Å; K519-F631 HydrophobicContact CD-CZ 4.29Å; K519-F631 HydrophobicContact CG-CE2 4.26Å; Q520-F631 HydrophobicContact CG-CD2 4.07Å; Q520-F631 HydrophobicContact CG-CE2 3.82Å; Q520-F631 WeakPolarHBondContact CG-O 3.13Å; Q520-F631 PolarHBondContact NE2-O 3.15Å; Q520-F631 PolarHBondContact NE2-OXT 3.24Å; N628-F631 WeakPolarHBondContact O-CD1 3.41Å; N628-F631 WeakPolarHBondContact O-CE1 3.48Å; L629-F631 VanDerWaalsContact C-N 3.34Å; L629-F631 PolarHBondContact O-N 3.35Å

Retrieved 631 of 631 residues in 299.4 ms (Link to these results)

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