A0A3Q0KNT7_SCHMA Loading...

RAR-like nuclear receptor

AlphaFold DB , UniProt , Accession A0A3Q0KNT7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 714 aa.

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Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	33.2	Very low	236 Å²	236	150.2 Å²	150.2	100%	1.163	82%	0.819	S	S	*	*				0	87	0	-66.6	163.1	127.7	0	0	105.8
2	S	33.2	Very low	33.3	Very low	95 Å²	95	150.5 Å²	150.5	66%	0.664	82%	0.819	S	S	*	*				85.2	113.6	73.7	60.7	0	0	0	0	110.6
3	H	37.7	Very low	33.3	Very low	179 Å²	179	148.6 Å²	148.6	83%	0.829	82%	0.824	S	S	*	*			cis	-136.5	164.3	22.6	-74.5	-97.9	0	0	0	114.7
4	C	28.1	Very low	32.9	Very low	122 Å²	122	150.9 Å²	150.9	82%	0.824	83%	0.826	S	S	*	*			trans	-128	144.9	154.3	-60.2	0	0	0	0	109.3
5	P	39.2	Very low	32.9	Very low	116 Å²	116	151.1 Å²	151.1	75%	0.753	83%	0.825	S	S	*	*			trans	-115.6	116.3	150.2	30.8	-17.9	0	0	0	109.4
6	V	37	Very low	32.8	Very low	125 Å²	125	148.9 Å²	148.9	76%	0.758	82%	0.818	S	S	*	*				73.2	109.4	88.8	171.9	0	0	0	0	112.5	Y8	V6-Y8 HydrophobicContact CG1-CD2 4.42Å; V6-Y8 HydrophobicContact CG1-CE2 4.4Å
7	E	27.7	Very low	32.4	Very low	187 Å²	187	148.7 Å²	148.7	87%	0.874	81%	0.814	S	S	*	*			trans	-72.1	156	171.1	-58.7	174.4	118.4	0	0	111.8
8	Y	33	Very low	32.2	Very low	225 Å²	225	146.8 Å²	146.8	88%	0.882	81%	0.813	S	S	*	*			trans	-132	104	162.7	-104	-89	0	0	0	109.5	V6	V6-Y8 HydrophobicContact CG1-CD2 4.42Å; V6-Y8 HydrophobicContact CG1-CE2 4.4Å
9	S	32.2	Very low	31.8	Very low	116 Å²	116	150.1 Å²	150.1	81%	0.811	81%	0.814	S	S	*	*			trans	-84.5	141	171.2	50.8	0	0	0	0	110.5
10	N	33.3	Very low	31.8	Very low	157 Å²	157	151.5 Å²	151.5	84%	0.84	82%	0.818	S	S	*	*			trans	-134.4	114.6	177.5	-169.3	22.3	0	0	0	109.9
11	P	32.3	Very low	31.7	Very low	94 Å²	94	149 Å²	149	61%	0.61	81%	0.809	S	S	*	*			trans	-88.7	176.6	-175.4	35.5	-35.9	0	0	0	113.5
12	N	33.6	Very low	31.7	Very low	154 Å²	154	143.1 Å²	143.1	82%	0.824	79%	0.791	S	S	*	*			trans	84.5	92.6	170.1	-51.2	-43.6	0	0	0	117.8
13	S	33.3	Very low	31.6	Very low	126 Å²	126	145.7 Å²	145.7	88%	0.881	80%	0.797	S	S	*	*				-152.4	146.3	117.3	42.1	0	0	0	0	109.9
14	Q	28.5	Very low	31.3	Very low	181 Å²	181	143.1 Å²	143.1	85%	0.846	80%	0.799	S	S	*	*			trans	-103.3	152.5	-173.6	-61.6	163.7	-54.7	0	0	110.3
15	N	32.6	Very low	31.3	Very low	154 Å²	154	143 Å²	143	82%	0.824	79%	0.794	S	S	*	*			trans	-173.9	116.5	131	-94	-23.6	0	0	0	114.8
16	T	30.6	Very low	30.7	Very low	115 Å²	115	145.6 Å²	145.6	71%	0.706	80%	0.8	S	S	*	*			trans	46.7	104.8	144.6	46	0	0	0	0	122.8
17	I	26.3	Very low	30.1	Very low	146 Å²	146	144.1 Å²	144.1	75%	0.749	80%	0.796	S	S	*	*				52.6	116.4	111.9	-60.5	170.1	0	0	0	118.4
18	S	29.3	Very low	30.1	Very low	115 Å²	115	141.7 Å²	141.7	80%	0.804	79%	0.793	S	S	*	*				-160.8	136.2	101.1	-72.8	0	0	0	0	111.7
19	Y	25.3	Very low	29.7	Very low	209 Å²	209	135.9 Å²	135.9	82%	0.82	79%	0.785	S	S	*	*			trans	-112.1	149.3	173.4	-81.5	-95	0	0	0	110.2	T21	Y19-T21 HydrophobicContact CD1-CG2 4.16Å
20	I	30.6	Very low	29.6	Very low	177 Å²	177	140.2 Å²	140.2	91%	0.908	79%	0.79	S	S	*	*			trans	-131.2	136.9	151.9	-62.2	-177.7	0	0	0	106.9
21	T	29	Very low	29.4	Very low	100 Å²	100	136.5 Å²	136.5	61%	0.613	78%	0.781	S	S	*	*			trans	-141.9	132	-168.2	51.5	0	0	0	0	112.2	Y19	Y19-T21 HydrophobicContact CD1-CG2 4.16Å
22	S	33.4	Very low	29.1	Very low	112 Å²	112	139 Å²	139	78%	0.783	79%	0.789	S	S	*	*			trans	-176.4	112	150.2	51.6	0	0	0	0	107.8
23	D	29.7	Very low	28.9	Very low	150 Å²	150	138 Å²	138	80%	0.802	79%	0.793	S	S	*	*				88.8	97	56.6	-76.5	-37.8	0	0	0	114
24	S	32.8	Very low	28.6	Very low	124 Å²	124	140.4 Å²	140.4	87%	0.867	79%	0.79	S	S	*	*			trans	-159.8	116.4	139.5	62.4	0	0	0	0	110.3
25	V	26.7	Very low	28.8	Very low	120 Å²	120	137.1 Å²	137.1	73%	0.727	79%	0.787	S	S	*	*			trans	-113.3	135.6	-177.3	177.6	0	0	0	0	110.3
26	I	26.7	Very low	28.8	Very low	170 Å²	170	135 Å²	135	87%	0.872	78%	0.784	S	S	*	*			trans	-133.1	128.8	148.6	-60.9	-176.2	0	0	0	108
27	S	25.2	Very low	28.8	Very low	95 Å²	95	135.1 Å²	135.1	66%	0.664	79%	0.79	S	S	*	*			trans	-125.4	146.9	177.7	51.5	0	0	0	0	110.2
28	V	27.1	Very low	29.1	Very low	136 Å²	136	133.9 Å²	133.9	82%	0.824	79%	0.791	S	S	*	*			trans	-138.6	129.9	166.6	-173.6	0	0	0	0	108.1
29	S	24.3	Very low	29	Very low	102 Å²	102	132.9 Å²	132.9	71%	0.713	78%	0.784	S	S	*	*			trans	-133.9	135.6	175.3	-53	0	0	0	0	109.2
30	F	30.1	Very low	29.3	Very low	208 Å²	208	132.5 Å²	132.5	91%	0.912	78%	0.783	S	S	*	*			trans	-173.2	154	155.5	-85.9	-68.9	0	0	0	106.9
31	A	30.1	Very low	29.4	Very low	78 Å²	78	131.6 Å²	131.6	65%	0.645	77%	0.774	S	S	*	*			cis	-172.7	154.7	-39.7	0	0	0	0	0	106.6
32	D	26.9	Very low	29.3	Very low	148 Å²	148	132.1 Å²	132.1	79%	0.791	78%	0.782	S	S	*	*			trans	17.6	121.2	162.5	-60.1	-46.9	0	0	0	120.7
33	C	28.4	Very low	29.3	Very low	132 Å²	132	135.2 Å²	135.2	89%	0.892	79%	0.789	S	S	*	*			trans	-146.3	121.3	134.5	-153.9	0	0	0	0	111.1
34	Q	26.9	Very low	29.2	Very low	176 Å²	176	132.8 Å²	132.8	82%	0.822	78%	0.783	S	S	*	*			trans	-98.8	127.5	-178.2	-60.5	175.8	6.7	0	0	111.3
35	S	32.6	Very low	29.2	Very low	112 Å²	112	132.8 Å²	132.8	78%	0.783	78%	0.784	S	S	*	*			trans	164.4	150.6	155.4	52	0	0	0	0	109.6
36	S	33	Very low	29.3	Very low	109 Å²	109	132.3 Å²	132.3	76%	0.762	79%	0.786	S	S	*	*			cis	-167.3	133.6	-20.3	49.4	0	0	0	0	107.6
37	S	29.9	Very low	29.5	Very low	118 Å²	118	131.1 Å²	131.1	83%	0.825	79%	0.787	S	S	*	*			trans	-75.4	147.9	178.7	52.3	0	0	0	0	113.2
38	P	33.1	Very low	29.9	Very low	120 Å²	120	130.8 Å²	130.8	78%	0.779	79%	0.79	S	S	*	*			trans	-125.3	112.2	145	33.3	-21	0	0	0	111.8
39	S	27.5	Very low	30.2	Very low	94 Å²	94	132.5 Å²	132.5	66%	0.657	79%	0.793	S	S	*	*			trans	-65.8	152.6	155.9	54.8	0	0	0	0	110.7
40	Y	31.6	Very low	30.7	Very low	202 Å²	202	133.6 Å²	133.6	79%	0.792	80%	0.798	S	S	*	*			trans	-163.6	142.8	136.7	-95.8	-52.5	0	0	0	115.5
41	H	32.7	Very low	30.6	Very low	158 Å²	158	126.6 Å²	126.6	73%	0.731	79%	0.785	S	S	*	*			trans	49.7	97.2	154.7	-67.1	-58.2	0	0	0	121.9
42	S	26.9	Very low	30.5	Very low	111 Å²	111	130.7 Å²	130.7	78%	0.776	80%	0.801	S	S	*	*			trans	-48	142.7	140	54.6	0	0	0	0	114.1
43	L	33.1	Very low	30.6	Very low	176 Å²	176	127.6 Å²	127.6	92%	0.921	80%	0.804	S	S	*	*			trans	-137.9	123.5	152.8	-101.9	173.1	0	0	0	110.4
44	S	27	Very low	30.6	Very low	99 Å²	99	126.7 Å²	126.7	69%	0.692	80%	0.799	S	S	*	*			trans	-86.8	146.6	175.2	53.2	0	0	0	0	111.6
45	S	32.9	Very low	30.8	Very low	125 Å²	125	127.8 Å²	127.8	87%	0.874	80%	0.802	S	S	*	*			trans	-151.5	125.9	161.5	-77.2	0	0	0	0	110.3
46	S	28.2	Very low	30.5	Very low	110 Å²	110	129.2 Å²	129.2	77%	0.769	80%	0.8	S	S	*	*			trans	-119.1	124.4	-166.3	-41.2	0	0	0	0	111.8
47	T	32.7	Very low	30.3	Very low	145 Å²	145	129.2 Å²	129.2	89%	0.89	79%	0.791	S	S	*	*			trans	-167.9	153.1	163.8	26.2	0	0	0	0	109.5
48	A	32.3	Very low	30.2	Very low	88 Å²	88	131.3 Å²	131.3	73%	0.727	79%	0.786	S	S	*	*			cis	-169.5	136	-36	0	0	0	0	0	106.8
49	L	34.3	Very low	29.9	Very low	171 Å²	171	130 Å²	130	90%	0.895	78%	0.779	S	S	*	*			trans	-78.7	145.4	171.3	-74.4	166	0	0	0	110.3
50	P	33.8	Very low	30.1	Very low	125 Å²	125	132.8 Å²	132.8	81%	0.812	79%	0.787	S	S	*	*				-140.2	178.1	90.1	34.1	-16.9	0	0	0	112.8
51	G	28.2	Very low	30.2	Very low	62 Å²	62	130.6 Å²	130.6	64%	0.639	78%	0.783	S	S	*	*			cis	137	139.7	-3	0	0	0	0	0	112.7
52	V	28.5	Very low	30.2	Very low	164 Å²	164	129.7 Å²	129.7	99%	0.994	78%	0.783	S	S	*	*			trans	54.2	140.7	172.9	-68.3	0	0	0	0	120.2
53	G	28.9	Very low	30.5	Very low	83 Å²	83	129.8 Å²	129.8	86%	0.856	78%	0.781	S	S	*	*			trans	162.4	59.5	172	0	0	0	0	0	117.2
54	S	28	Very low	30.4	Very low	112 Å²	112	129.5 Å²	129.5	78%	0.783	78%	0.775	S	S	*	*			trans	-84.6	137	174	56.5	0	0	0	0	112.8
55	F	30.7	Very low	30.5	Very low	200 Å²	200	135.5 Å²	135.5	88%	0.877	78%	0.784	S	S	*	*			trans	-155.2	156.2	153.2	-134.4	-96.5	0	0	0	112.7
56	L	26.9	Very low	30.3	Very low	142 Å²	142	134.5 Å²	134.5	74%	0.743	78%	0.777	S	S	*	*			trans	-75.9	170.1	170	-61	97.4	0	0	0	109.1
57	D	28.4	Very low	30.5	Very low	109 Å²	109	134.6 Å²	134.6	58%	0.583	78%	0.775	S	S	*	*				-177.6	161.3	53.5	-152.8	-7.5	0	0	0	113
58	K	27.8	Very low	30.6	Very low	162 Å²	162	135.1 Å²	135.1	70%	0.704	77%	0.772	S	S	*	*			trans	46.1	114.5	156.3	-78	146.8	-158.8	151.3	0	123.2
59	S	27.5	Very low	30.5	Very low	92 Å²	92	139.9 Å²	139.9	64%	0.643	78%	0.776	S	S	*	*				64.4	123.6	129	65.8	0	0	0	0	121.7
60	N	32.2	Very low	30.5	Very low	153 Å²	153	141.2 Å²	141.2	82%	0.818	77%	0.771	S	S	*	*				-163.2	159.6	98.9	-100.2	-52.2	0	0	0	114.8
61	H	34.1	Very low	30.6	Very low	155 Å²	155	144.2 Å²	144.2	72%	0.718	77%	0.767	S	S	*	*			trans	-77.1	139.8	-160.6	-73	-97	0	0	0	117.8
62	L	32.2	Very low	30.6	Very low	139 Å²	139	148.3 Å²	148.3	73%	0.728	78%	0.775	S	S	*	*				48.3	163.7	125.5	-77.6	126.1	0	0	0	121.2
63	P	33.6	Very low	30.9	Very low	114 Å²	114	146.8 Å²	146.8	74%	0.74	77%	0.766	S	S	*	*			cis	-130.8	156.9	19.2	40.6	-23.7	0	0	0	118.8
64	H	29.3	Very low	31	Very low	169 Å²	169	151.6 Å²	151.6	78%	0.782	77%	0.766	S	S	*	*			trans	-71.4	152.8	160.1	-83.7	-96.7	0	0	0	111.5
65	Y	29.8	Very low	31.2	Very low	226 Å²	226	152.2 Å²	152.2	89%	0.886	77%	0.767	S	S	*	*			trans	-107.8	129	164.8	-125.5	-94.9	0	0	0	109.9
66	S	28.4	Very low	31.4	Very low	103 Å²	103	149.8 Å²	149.8	72%	0.72	77%	0.769	S	S	*	*			trans	-143.1	124.3	172.9	-61.6	0	0	0	0	109.5
67	P	33.3	Very low	31.7	Very low	112 Å²	112	147.1 Å²	147.1	73%	0.727	77%	0.767	S	S	*	*			trans	-87.3	145.6	173	32.9	-31.1	0	0	0	112.1
68	N	35.2	Very low	31.9	Very low	156 Å²	156	149.6 Å²	149.6	83%	0.834	78%	0.779	S	S	*	*			trans	72.2	80.7	158.2	-54	-12.1	0	0	0	118.7
69	K	29.9	Very low	32.2	Very low	189 Å²	189	148 Å²	148	82%	0.822	79%	0.785	S	S	*	*			trans	-79	148.9	132.6	-78.5	-168.6	171.1	-161.4	0	109.3
70	Y	34.6	Very low	32.5	Very low	198 Å²	198	147.1 Å²	147.1	78%	0.776	79%	0.791	S	S	*	*			trans	-160.2	135.2	141.2	-113	-63.1	0	0	0	112.4
71	Y	35.2	Very low	32.5	Very low	188 Å²	188	148.5 Å²	148.5	74%	0.737	79%	0.792	S	S	*	*			trans	56.2	85.4	170.3	-64.2	-63	0	0	0	119.6
72	D	27.5	Very low	32.4	Very low	149 Å²	149	146.1 Å²	146.1	80%	0.797	79%	0.793	S	S	*	*			trans	-75.6	146.6	133.9	-60.6	-68.6	0	0	0	109.5
73	T	36.1	Very low	32.3	Very low	132 Å²	132	148 Å²	148	81%	0.81	79%	0.792	S	S	*	*			trans	-144.9	137.3	160.6	20.7	0	0	0	0	109.9
74	E	31.2	Very low	32.4	Very low	184 Å²	184	149.1 Å²	149.1	86%	0.86	80%	0.796	S	S	*	*			trans	-79.7	158.2	-169.3	-77.8	-172.9	146	0	0	114.6
75	P	32.4	Very low	32.6	Very low	124 Å²	124	147.6 Å²	147.6	81%	0.805	79%	0.789	S	S	*	*			trans	-77.6	144.4	-173.9	31.5	-36.4	0	0	0	113.7
76	T	34.3	Very low	32.8	Very low	149 Å²	149	143.7 Å²	143.7	91%	0.914	78%	0.784	S	S	*	*			trans	-133.1	155.5	166.7	38.7	0	0	0	0	110.1
77	A	33.4	Very low	33.1	Very low	86 Å²	86	143.9 Å²	143.9	71%	0.711	78%	0.781	S	S	*	*			trans	-119.8	148.1	-162.5	0	0	0	0	0	113.8
78	I	31.8	Very low	33.1	Very low	161 Å²	161	145.3 Å²	145.3	83%	0.826	78%	0.782	S	S	*	*			trans	48.4	136.3	131.3	-62.8	173.4	0	0	0	117.9
79	P	34.4	Very low	33	Very low	128 Å²	128	142.7 Å²	142.7	83%	0.831	77%	0.772	S	S	*	*			cis	-135.7	-178.5	20.3	28.9	-5.3	0	0	0	116.3
80	G	33.9	Very low	33.3	Very low	75 Å²	75	142.3 Å²	142.3	77%	0.773	77%	0.771	S	S	*	*			trans	166.7	117.8	157.1	0	0	0	0	0	116.8
81	H	31.4	Very low	33.1	Very low	182 Å²	182	138.7 Å²	138.7	84%	0.843	77%	0.765	S	S	*	*			trans	-66	166.8	169	-78.4	-111.9	0	0	0	112.1
82	S	32.9	Very low	33.1	Very low	105 Å²	105	135.5 Å²	135.5	73%	0.734	76%	0.76	S	S	*	*			cis	-158.6	161.1	27.2	52.8	0	0	0	0	115.3
83	Y	30.3	Very low	33.4	Very low	179 Å²	179	134.8 Å²	134.8	70%	0.702	76%	0.756	S	S	*	*			trans	-1.4	149.3	143.8	-75.6	-97.4	0	0	0	119.2	E85	Y83-E85 HydrophobicContact CD1-CG 4.14Å; Y83-E85 HydrophobicContact CE1-CG 4.24Å
84	V	34.6	Very low	33.3	Very low	137 Å²	137	134.1 Å²	134.1	83%	0.83	75%	0.747	S	S	*	*				-142.1	155.2	63.7	166.7	0	0	0	0	114.4
85	E	33.6	Very low	33.5	Very low	137 Å²	137	131 Å²	131	64%	0.64	74%	0.743	S	S	*	*			trans	-83.6	171.7	-176.2	-58.8	146.5	106.6	0	0	115.2	Y83	Y83-E85 HydrophobicContact CD1-CG 4.14Å; Y83-E85 HydrophobicContact CE1-CG 4.24Å
86	N	34.7	Very low	33.4	Very low	144 Å²	144	134.8 Å²	134.8	77%	0.77	74%	0.743	S	S	*	*				-167.6	131.1	121.4	-97.6	-47.5	0	0	0	112.1
87	T	34.3	Very low	33.6	Very low	107 Å²	107	132.6 Å²	132.6	66%	0.656	73%	0.731	S	S	*	*			trans	29.7	135.1	142.2	61.7	0	0	0	0	119.5
88	D	33.1	Very low	33.5	Very low	141 Å²	141	135.5 Å²	135.5	75%	0.754	73%	0.733	S	S	*	*			cis	-174.9	174	14	-109.7	-6.7	0	0	0	108.2
89	V	34.6	Very low	33.5	Very low	102 Å²	102	136.6 Å²	136.6	62%	0.618	73%	0.732	S	S	*	*			cis	-155.2	143	4.3	108.4	0	0	0	0	109.2
90	F	34.9	Very low	33.1	Very low	181 Å²	181	135.2 Å²	135.2	79%	0.794	73%	0.726	S	S	*	*			trans	34.4	159.4	158.8	-69.7	-111.9	0	0	0	124.7
91	D	31.2	Very low	33	Very low	122 Å²	122	141.6 Å²	141.6	65%	0.652	74%	0.735	S	S	*	*			cis	-174.8	174.5	-46.9	-147	-21.5	0	0	0	110.1
92	N	35.4	Very low	32.8	Very low	121 Å²	121	137.5 Å²	137.5	65%	0.647	73%	0.733	S	S	*	*			trans	83.4	128.2	165.8	-46.9	-84.4	0	0	0	117.7
93	N	33.8	Very low	32.7	Very low	133 Å²	133	140.9 Å²	140.9	71%	0.711	74%	0.741	S	S	*	*			cis	-155	138.4	-15.3	-106	-37.5	0	0	0	111.8
94	L	34.3	Very low	32.4	Very low	118 Å²	118	140.7 Å²	140.7	62%	0.618	75%	0.746	S	S	*	*			trans	-92.7	175.7	160.5	-107.1	92.1	0	0	0	109.1	Y96	L94-Y96 HydrophobicContact CD2-CD1 4.05Å; L94-Y96 HydrophobicContact CD2-CD2 3.58Å; L94-Y96 HydrophobicContact CD2-CE1 4.08Å; L94-Y96 HydrophobicContact CD2-CE2 3.59Å; L94-Y96 HydrophobicContact CD2-CG 3.83Å
95	P	35	Very low	32.1	Very low	120 Å²	120	142.2 Å²	142.2	78%	0.779	74%	0.744	S	S	*	*				-137.1	151.1	52.1	19.3	8	0	0	0	115.6
96	Y	29.6	Very low	31.9	Very low	202 Å²	202	141.4 Å²	141.4	79%	0.792	75%	0.748	S	S	*	*				88.1	158.7	62.4	-91	-35.4	0	0	0	115.7	L94	L94-Y96 HydrophobicContact CD2-CD1 4.05Å; L94-Y96 HydrophobicContact CD2-CD2 3.58Å; L94-Y96 HydrophobicContact CD2-CE1 4.08Å; L94-Y96 HydrophobicContact CD2-CE2 3.59Å; L94-Y96 HydrophobicContact CD2-CG 3.83Å
97	P	38	Very low	31.4	Very low	103 Å²	103	141 Å²	141	67%	0.669	75%	0.751	S	S	*	*			trans	-129	-162.1	-139.7	44.3	-26.6	0	0	0	113.8
98	I	31.9	Very low	31.1	Very low	148 Å²	148	141.4 Å²	141.4	76%	0.759	76%	0.758	S	S	*	*			trans	-178.4	141	139.8	-100.2	155.7	0	0	0	113.4
99	K	31.2	Very low	30.7	Very low	183 Å²	183	138.2 Å²	138.2	80%	0.796	76%	0.758	S	S	*	*			trans	39.4	123.3	156.2	-66.4	175.1	-174.2	178.5	0	120
100	S	26.9	Very low	30.4	Very low	100 Å²	100	139.6 Å²	139.6	70%	0.699	77%	0.768	S	S	*	*			cis	93.6	112.8	42.9	75.8	0	0	0	0	115
101	E	31.9	Very low	30	Very low	209 Å²	209	140.5 Å²	140.5	98%	0.977	77%	0.772	S	S	*	*			trans	-163.1	164.3	144.7	-117.1	163	-148.2	0	0	109.6
102	A	25.9	Very low	29.9	Very low	96 Å²	96	142 Å²	142	79%	0.793	78%	0.778	S	S	*	*			trans	-130.7	139.1	-170.5	0	0	0	0	0	112
103	I	30.9	Very low	29.6	Very low	175 Å²	175	142.1 Å²	142.1	90%	0.897	78%	0.783	S	S	*	*			trans	-131.1	143.4	170.8	-61.8	-177.6	0	0	0	108.3
104	H	25.5	Very low	29.6	Very low	175 Å²	175	141.1 Å²	141.1	81%	0.81	78%	0.784	S	S	*	*			trans	-101.5	-169.7	-173.2	-145.5	-110.7	0	0	0	110.3
105	E	27.9	Very low	29.4	Very low	170 Å²	170	143.5 Å²	143.5	79%	0.794	80%	0.797	S	S	*	*			trans	73.8	149.8	167.6	-57	-164.2	165.1	0	0	117.3
106	T	28.4	Very low	29.2	Very low	119 Å²	119	141.4 Å²	141.4	73%	0.73	79%	0.79	S	S	*	*			cis	-156.3	155.4	-18.9	-97.5	0	0	0	0	109.4
107	V	24.7	Very low	29.3	Very low	136 Å²	136	140.8 Å²	140.8	82%	0.824	79%	0.794	S	S	*	*			trans	-67.9	129.6	177.8	176.8	0	0	0	0	112.3
108	S	28.5	Very low	28.8	Very low	115 Å²	115	143.4 Å²	143.4	80%	0.804	80%	0.802	S	S	*	*			trans	-159.6	132.1	150.1	-81.4	0	0	0	0	110
109	G	24.1	Very low	28.9	Very low	74 Å²	74	145.8 Å²	145.8	76%	0.763	81%	0.81	S	S	*	*			trans	-104.2	163.7	176	0	0	0	0	0	112.1
110	T	29.3	Very low	28.7	Very low	132 Å²	132	142 Å²	142	81%	0.81	81%	0.807	S	S	*	*			trans	-145.5	126.1	171.2	-40.7	0	0	0	0	110.5
111	F	25.2	Very low	28.8	Very low	200 Å²	200	143.7 Å²	143.7	88%	0.877	82%	0.817	S	S	*	*			trans	-68.9	128.9	167.5	-94.1	-118.4	0	0	0	109.7
112	I	30.2	Very low	28.5	Very low	154 Å²	154	143 Å²	143	79%	0.79	81%	0.811	S	S	*	*			trans	-139.2	124.9	150.8	-56	-178	0	0	0	108.6
113	T	27.4	Very low	28.7	Very low	122 Å²	122	144.6 Å²	144.6	75%	0.748	81%	0.811	S	S	*	*			trans	-140.9	169	162.9	61	0	0	0	0	107.4
114	P	35.1	Very low	28.6	Very low	112 Å²	112	141.2 Å²	141.2	73%	0.727	80%	0.803	S	S	*	*				-103.2	178.3	-83.3	38.6	-28.5	0	0	0	110.8
115	D	30.4	Very low	28.8	Very low	169 Å²	169	138.6 Å²	138.6	90%	0.904	80%	0.801	S	S	*	*			trans	-159.8	168.2	136.8	-123.8	-35.6	0	0	0	113.8
116	A	29.3	Very low	29	Very low	76 Å²	76	138.9 Å²	138.9	63%	0.628	81%	0.808	S	S	*	*			trans	-88.4	153.7	-166.1	0	0	0	0	0	115.7
117	H	32.8	Very low	29.1	Very low	189 Å²	189	142 Å²	142	88%	0.875	81%	0.814	S	S	*	*			trans	-141	112.7	149.4	-101.4	-80.4	0	0	0	110.6
118	N	27.6	Very low	29.2	Very low	157 Å²	157	141.4 Å²	141.4	84%	0.84	81%	0.813	S	S	*	*			trans	-79.1	129.5	160.1	-77.9	-32.9	0	0	0	108.5
119	E	33.6	Very low	29.2	Very low	199 Å²	199	144.5 Å²	144.5	93%	0.93	82%	0.819	S	S	*	*			trans	-142.8	144.6	142.1	-78.1	-150.1	144.2	0	0	109.9
120	S	27.2	Very low	29.4	Very low	103 Å²	103	150 Å²	150	72%	0.72	82%	0.822	S	S	*	*			trans	-114.2	139.9	-173.1	58.7	0	0	0	0	111.6
121	C	29.4	Very low	29.4	Very low	135 Å²	135	149 Å²	149	91%	0.912	82%	0.821	S	S	*	*			trans	-141.9	147.4	157.7	-98.3	0	0	0	0	112.1
122	F	24.6	Very low	29.7	Very low	194 Å²	194	147 Å²	147	85%	0.851	82%	0.818	S	S	*	*			trans	-95.7	-179.3	-175.4	-98.9	-104.7	0	0	0	112
123	T	31.4	Very low	29.5	Very low	131 Å²	131	147.2 Å²	147.2	80%	0.804	82%	0.821	S	S	*	*			trans	77.9	138.5	171.1	75.8	0	0	0	0	115.1
124	S	27.6	Very low	29.7	Very low	103 Å²	103	147.6 Å²	147.6	72%	0.72	83%	0.826	S	S	*	*			cis	-153	158.2	-7.4	-103.2	0	0	0	0	110.7
125	P	29.2	Very low	29.4	Very low	120 Å²	120	147.7 Å²	147.7	78%	0.779	83%	0.829	S	S	*	*			trans	-81	149.6	-176.7	33.2	-35.6	0	0	0	113.4
126	L	32.4	Very low	29.3	Very low	177 Å²	177	148 Å²	148	93%	0.927	83%	0.83	S	S	*	*			trans	-126.1	153.2	167.4	-75.3	174.6	0	0	0	111.3
127	Q	30.6	Very low	29.2	Very low	185 Å²	185	149.7 Å²	149.7	86%	0.864	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-94.4	156.7	-158.4	-70.9	178.7	-42.8	0	0	114.3
128	P	26.8	Very low	29	Very low	122 Å²	122	147.6 Å²	147.6	79%	0.792	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-77.1	141.6	-176.9	31.1	-36.1	0	0	0	113.4
129	L	30	Very low	28.9	Very low	180 Å²	180	148.2 Å²	148.2	94%	0.942	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-77.8	131.6	170.1	-83.7	159.9	0	0	0	111.3
130	K	28.3	Very low	28.6	Very low	190 Å²	190	143.8 Å²	143.8	83%	0.826	82%	0.823	S	S	*	*			trans	-109.2	173.2	167.4	-81.7	-173.8	174.4	-178.8	0	110
131	S	28.6	Very low	28.5	Very low	112 Å²	112	144 Å²	144	78%	0.783	83%	0.825	S	S	*	*			trans	85.4	143.4	176.9	83.3	0	0	0	0	114.6
132	L	30.4	Very low	28.5	Very low	157 Å²	157	146.3 Å²	146.3	82%	0.822	82%	0.822	S	S	*	*			cis	-125.6	150.7	1.2	-73.6	84.5	0	0	0	112.1
133	N	26.8	Very low	28.5	Very low	158 Å²	158	141.9 Å²	141.9	85%	0.845	82%	0.815	S	S	*	*			trans	-102.5	145.4	155.1	-87.4	-6	0	0	0	109.3
134	P	32.6	Very low	28.4	Very low	130 Å²	130	142.9 Å²	142.9	84%	0.844	82%	0.815	S	S	*	*			trans	-98.7	134.1	147.9	26.8	-13.4	0	0	0	110.1
135	S	27.6	Very low	28.5	Very low	115 Å²	115	145.5 Å²	145.5	80%	0.804	82%	0.82	S	S	*	*			trans	-110.8	150.8	179.7	50	0	0	0	0	111.4
136	L	29.1	Very low	28.4	Very low	176 Å²	176	144.9 Å²	144.9	92%	0.921	82%	0.818	S	S	*	*			trans	-148.4	115.2	170.7	-106.9	165.9	0	0	0	109.2
137	P	27.3	Very low	28.1	Very low	111 Å²	111	140 Å²	140	72%	0.721	81%	0.811	S	S	*	*			trans	-105.4	151.1	-176.9	37.6	-32.2	0	0	0	113.5
138	V	28.6	Very low	27.9	Very low	145 Å²	145	140.8 Å²	140.8	88%	0.879	81%	0.812	S	S	*	*			trans	-138.5	138.6	158.6	-176.9	0	0	0	0	108.2
139	Q	24.5	Very low	28	Very low	169 Å²	169	140.9 Å²	140.9	79%	0.79	81%	0.81	S	S	*	*			trans	-122.6	-176.6	177	-70.3	-174.6	-50.7	0	0	110.1
140	S	28	Very low	27.9	Very low	106 Å²	106	140.6 Å²	140.6	74%	0.741	80%	0.804	S	S	*	*			trans	65.2	110.4	174	30.4	0	0	0	0	114.4
141	S	25.4	Very low	28	Very low	107 Å²	107	136.8 Å²	136.8	75%	0.748	80%	0.798	S	S	*	*				74	145.2	78.2	77.2	0	0	0	0	112.4
142	E	29	Very low	28	Very low	185 Å²	185	139 Å²	139	86%	0.864	80%	0.801	S	S	*	*			cis	-137	176.8	27.2	-65.8	177.8	120.1	0	0	114.3
143	S	25.4	Very low	28	Very low	100 Å²	100	135.8 Å²	135.8	70%	0.699	79%	0.791	S	S	*	*			trans	-66.6	151.2	176.4	52.4	0	0	0	0	115.3
144	L	28.9	Very low	28.4	Very low	152 Å²	152	135.2 Å²	135.2	80%	0.796	79%	0.785	S	S	*	*				170.9	151	109.9	-92.2	171.5	0	0	0	112.6
145	L	29.1	Very low	28.5	Very low	159 Å²	159	134.6 Å²	134.6	83%	0.832	78%	0.775	S	S	*	*			trans	63.2	143.7	165.8	-60.7	157.7	0	0	0	117.5
146	S	26.9	Very low	29	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	77%	0.768	S	S	*	*			cis	179.4	115.6	-37.4	43.5	0	0	0	0	107.1
147	G	27.1	Very low	29.6	Very low	75 Å²	75	129.5 Å²	129.5	77%	0.773	74%	0.736	S	S	*	*			trans	-178.2	133.6	178.8	0	0	0	0	0	112.6
148	F	26.2	Very low	30.1	Very low	202 Å²	202	127.8 Å²	127.8	89%	0.886	72%	0.723	S	S	*	*			trans	-70.4	154	175.1	-64.1	-93.5	0	0	0	109.5
149	T	28.7	Very low	31	Very low	123 Å²	123	124.2 Å²	124.2	76%	0.755	70%	0.699	S	S	*	*			cis	-134.8	170.2	48.6	48.3	0	0	0	0	115.2
150	H	28.1	Very low	31.6	Very low	174 Å²	174	126.5 Å²	126.5	81%	0.806	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-76.2	137.1	176	-104.8	-95.2	0	0	0	111.7
151	P	29.8	Very low	32.1	Very low	110 Å²	110	126.5 Å²	126.5	71%	0.714	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-66.3	142.8	152.8	-9	25.5	0	0	0	109.4
152	L	29.3	Very low	32.6	Very low	160 Å²	160	124.1 Å²	124.1	84%	0.838	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-68.9	138.2	166.7	-73.1	171.6	0	0	0	109.8	M154	L152-M154 PolarHBondContact O-N 3.45Å
153	S	30.4	Very low	32.8	Very low	88 Å²	88	115.4 Å²	115.4	62%	0.615	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-63.5	122.2	170.6	-118.9	0	0	0	0	109.4	D155	S153-D155 WeakPolarHBondContact CB-OD2 3.42Å; S153-D155 PolarHBondContact O-N 2.9Å; S153-D155 PolarHBondContact OG-OD2 3.44Å
154	M	35.3	Very low	33.6	Very low	147 Å²	147	114 Å²	114	72%	0.724	64%	0.639	S	S	*	*	S	Bend	trans	-76.9	2.4	179.4	-83.2	-170.1	133.7	0	0	113.8	L152 H156 T157	L152-M154 PolarHBondContact O-N 3.45Å; M154-H156 PolarHBondContact O-N 2.65Å; M154-T157 PolarHBondContact O-N 2.65Å; M154-T157 PolarHBondContact O-OG1 3.26Å
155	D	34.5	Very low	34.6	Very low	117 Å²	117	108 Å²	108	63%	0.626	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	7	-174	-45.7	-72.2	0	0	0	114.6	S153	S153-D155 WeakPolarHBondContact CB-OD2 3.42Å; S153-D155 PolarHBondContact O-N 2.9Å; S153-D155 PolarHBondContact OG-OD2 3.44Å
156	H	38	Very low	35.6	Very low	141 Å²	141	102 Å²	102	65%	0.653	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.8	-6	-174.6	-63.7	-16.9	0	0	0	115.1	M154	M154-H156 PolarHBondContact O-N 2.65Å
157	T	41.9	Very low	36.6	Very low	42 Å²	42	102.2 Å²	102.2	26%	0.258	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.4	-8.9	169.7	48.8	0	0	0	0	112.9	M154	M154-T157 PolarHBondContact O-N 2.65Å; M154-T157 PolarHBondContact O-OG1 3.26Å
158	V	37.8	Very low	37.7	Very low	75 Å²	75	105.1 Å²	105.1	46%	0.455	56%	0.556	S	S	.	*	B	Isolated β-bridge	trans	-107.1	124.9	178.3	-172.7	0	0	0	0	108	G163	V158-G163 CarbonylContact C-O 3.6Å; V158-G163 WeakPolarHBondContact CA-O 3.41Å
159	L	46.4	Very low	38.7	Very low	70 Å²	70	96.6 Å²	96.6	37%	0.366	52%	0.52	S	S	.	.			trans	-72.1	160	172.1	-64.9	172.6	0	0	0	110.1	D161 G162 G163 D165	L159-D161 WeakPolarHBondContact CB-OD1 3.18Å; L159-D161 PolarHBondContact O-N 3.41Å; L159-G162 PolarHBondContact O-N 3.06Å; L159-G163 PolarHBondContact N-O 3.36Å; L159-D165 HydrophobicContact CD2-CB 4.16Å; L159-D165 HydrophobicContact CG-CB 4.25Å
160	E	38.4	Very low	39.7	Very low	217 Å²	217	93 Å²	93	100%	1.014	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.4	-178.5	-64.1	-167.7	149.9	0	0	113.9
161	D	38.2	Very low	40.6	Very low	106 Å²	106	87.6 Å²	87.6	57%	0.567	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	2.1	174.7	77.9	-21.6	0	0	0	114.3	L159 G163 N696	L159-D161 WeakPolarHBondContact CB-OD1 3.18Å; L159-D161 PolarHBondContact O-N 3.41Å; D161-G163 WeakPolarHBondContact OD1-CA 3.2Å; D161-G163 PolarHBondContact OD1-N 3.12Å; D161-N696 VanDerWaalsContact CG-ND2 3.33Å; D161-N696 PolarHBondContact OD1-ND2 2.86Å; D161-N696 PolarHBondContact OD2-ND2 2.88Å
162	G	34.9	Very low	41.1	Very low	57 Å²	57	84.4 Å²	84.4	59%	0.588	46%	0.456	S	S	*	.	S	Bend	trans	82.7	6	-173.9	0	0	0	0	0	114.7	L159	L159-G162 PolarHBondContact O-N 3.06Å
163	G	33.7	Very low	41.7	Very low	3 Å²	3	79 Å²	79	3%	0.031	43%	0.428	C	S	.	.			trans	-65.9	155.5	170.7	0	0	0	0	0	113.3	V158 L159 D161 N696	V158-G163 CarbonylContact C-O 3.6Å; V158-G163 WeakPolarHBondContact CA-O 3.41Å; L159-G163 PolarHBondContact N-O 3.36Å; D161-G163 WeakPolarHBondContact OD1-CA 3.2Å; D161-G163 PolarHBondContact OD1-N 3.12Å; G163-N696 WeakPolarHBondContact CA-ND2 3.17Å
164	L	41.6	Very low	42.3	Very low	71 Å²	71	76.7 Å²	76.7	37%	0.372	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-97.4	118.7	164.3	-68.4	172.6	0	0	0	107.6	L166 V169 Y457	L164-L166 PolarHBondContact O-N 3.13Å; L164-V169 HydrophobicContact CB-CG2 4.4Å; L164-V169 HydrophobicContact CD2-CG2 4.45Å; L164-Y457 WeakPolarHBondContact CD1-OH 3.46Å
165	D	50.1	Low	42.5	Very low	25 Å²	25	73.7 Å²	73.7	13%	0.134	40%	0.395	C	S	.	.			trans	-65.8	102.6	167.8	177.3	-29.2	0	0	0	107.4	L159 D167 R168 V169	L159-D165 HydrophobicContact CD2-CB 4.16Å; L159-D165 HydrophobicContact CG-CB 4.25Å; D165-D167 PolarHBondContact OD1-N 3.48Å; D165-R168 HydrophobicContact CB-CB 4.02Å; D165-R168 HydrophobicContact CB-CG 4.34Å; D165-R168 CarbonylContact O-C 3.6Å; D165-R168 PolarHBondContact O-N 3.07Å; D165-R168 WeakPolarHBondContact OD1-CB 3.46Å; D165-R168 PolarHBondContact OD1-N 3.32Å; D165-R168 WeakPolarHBondContact OD2-CD 3.36Å; D165-R168 VanDerWaalsContact OD2-CG 3.29Å; D165-R168 WeakPolarHBondContact OD2-CG 3.46Å; D165-R168 IonicContact OD2-CZ 3.32Å; D165-R168 IonicContact OD2-NE 3.25Å; D165-R168 PolarHBondContact OD2-NE 3.37Å; D165-R168 IonicContact OD2-NH2 2.64Å; D165-R168 PolarHBondContact OD2-NH2 2.7Å; D165-V169 WeakPolarHBondContact O-CB 3.28Å; D165-V169 VanDerWaalsContact O-CG2 3.31Å; D165-V169 WeakPolarHBondContact O-CG2 3.22Å; D165-V169 PolarHBondContact O-N 3.45Å
166	L	50.8	Low	42.8	Very low	34 Å²	34	72 Å²	72	18%	0.178	39%	0.386	C	S	.	.	H	α-helix	trans	-76.2	-26.1	-170.9	-94.4	163.4	0	0	0	113.5	L164 V169 F170 E700	L164-L166 PolarHBondContact O-N 3.13Å; L166-V169 HydrophobicContact CD2-CB 4.29Å; L166-V169 HydrophobicContact CD2-CG1 4.25Å; L166-V169 PolarHBondContact O-N 3.13Å; L166-F170 HydrophobicContact CB-CD2 4.36Å; L166-F170 HydrophobicContact CB-CE2 4.29Å; L166-F170 HydrophobicContact CD2-CD2 4.2Å; L166-F170 HydrophobicContact CD2-CE2 3.76Å; L166-F170 HydrophobicContact CD2-CZ 4.04Å; L166-F170 WeakPolarHBondContact O-CB 3.19Å; L166-F170 WeakPolarHBondContact O-CD2 3.33Å; L166-F170 WeakPolarHBondContact O-CG 3.14Å; L166-F170 PolarHBondContact O-N 3.06Å; L166-E700 HydrophobicContact CD1-CB 4.47Å; L166-E700 VanDerWaalsContact CD1-CD 3.45Å; L166-E700 HydrophobicContact CD1-CG 3.41Å; L166-E700 VanDerWaalsContact CD1-CG 3.41Å
167	D	47.5	Very low	43	Very low	110 Å²	110	69.3 Å²	69.3	59%	0.588	37%	0.37	S	S	*	.	H	α-helix	trans	-67.6	-42.5	169.3	-85.5	-19	0	0	0	110.1	D165 V171	D165-D167 PolarHBondContact OD1-N 3.48Å; D167-V171 WeakPolarHBondContact O-CB 3.45Å; D167-V171 WeakPolarHBondContact O-CG2 3.23Å; D167-V171 PolarHBondContact O-N 3.33Å
168	R	49.7	Very low	42.8	Very low	136 Å²	136	73 Å²	73	51%	0.513	39%	0.388	S	S	.	.	H	α-helix	trans	-65.4	-36.1	170.1	-74.5	-174.7	-141.3	-177.5	5.7	113.2	D165 A172	D165-R168 HydrophobicContact CB-CB 4.02Å; D165-R168 HydrophobicContact CB-CG 4.34Å; D165-R168 CarbonylContact O-C 3.6Å; D165-R168 PolarHBondContact O-N 3.07Å; D165-R168 WeakPolarHBondContact OD1-CB 3.46Å; D165-R168 PolarHBondContact OD1-N 3.32Å; D165-R168 WeakPolarHBondContact OD2-CD 3.36Å; D165-R168 VanDerWaalsContact OD2-CG 3.29Å; D165-R168 WeakPolarHBondContact OD2-CG 3.46Å; D165-R168 IonicContact OD2-CZ 3.32Å; D165-R168 IonicContact OD2-NE 3.25Å; D165-R168 PolarHBondContact OD2-NE 3.37Å; D165-R168 IonicContact OD2-NH2 2.64Å; D165-R168 PolarHBondContact OD2-NH2 2.7Å; R168-A172 WeakPolarHBondContact O-CA 2.91Å; R168-A172 WeakPolarHBondContact O-CB 3.26Å; R168-A172 PolarHBondContact O-N 2.69Å
169	V	47.8	Very low	42.6	Very low	22 Å²	22	72.9 Å²	72.9	13%	0.133	39%	0.391	C	S	.	.	H	α-helix	trans	-72.1	-39.1	178.6	167	0	0	0	0	111.1	L164 D165 L166 I173	L164-V169 HydrophobicContact CB-CG2 4.4Å; L164-V169 HydrophobicContact CD2-CG2 4.45Å; D165-V169 WeakPolarHBondContact O-CB 3.28Å; D165-V169 VanDerWaalsContact O-CG2 3.31Å; D165-V169 WeakPolarHBondContact O-CG2 3.22Å; D165-V169 PolarHBondContact O-N 3.45Å; L166-V169 HydrophobicContact CD2-CB 4.29Å; L166-V169 HydrophobicContact CD2-CG1 4.25Å; L166-V169 PolarHBondContact O-N 3.13Å; V169-I173 HydrophobicContact CG1-CD1 3.7Å; V169-I173 HydrophobicContact CG1-CG1 4.46Å; V169-I173 WeakPolarHBondContact O-CB 3.2Å; V169-I173 WeakPolarHBondContact O-CD1 3.41Å; V169-I173 WeakPolarHBondContact O-CG1 3.31Å; V169-I173 PolarHBondContact O-N 3.41Å
170	F	49.3	Very low	42	Very low	48 Å²	48	74.4 Å²	74.4	21%	0.211	40%	0.396	C	S	.	.	H	α-helix	trans	-70.2	-45.6	172.7	-72.9	-54.4	0	0	0	111.7	L166 A172 I173 I174 L533	L166-F170 HydrophobicContact CB-CD2 4.36Å; L166-F170 HydrophobicContact CB-CE2 4.29Å; L166-F170 HydrophobicContact CD2-CD2 4.2Å; L166-F170 HydrophobicContact CD2-CE2 3.76Å; L166-F170 HydrophobicContact CD2-CZ 4.04Å; L166-F170 WeakPolarHBondContact O-CB 3.19Å; L166-F170 WeakPolarHBondContact O-CD2 3.33Å; L166-F170 WeakPolarHBondContact O-CG 3.14Å; L166-F170 PolarHBondContact O-N 3.06Å; F170-A172 VanDerWaalsContact C-N 3.31Å; F170-A172 PolarHBondContact O-N 2.68Å; F170-I173 PolarHBondContact O-N 2.86Å; F170-I174 HydrophobicContact CB-CD1 4.47Å; F170-I174 VanDerWaalsContact O-CB 3.29Å; F170-I174 WeakPolarHBondContact O-CB 3.22Å; F170-I174 WeakPolarHBondContact O-CD1 3.38Å; F170-I174 WeakPolarHBondContact O-CG1 3.39Å; F170-I174 PolarHBondContact O-N 3.45Å; F170-L533 HydrophobicContact CD1-CD1 4.47Å; F170-L533 HydrophobicContact CE1-CD1 3.68Å; F170-L533 HydrophobicContact CZ-CD1 3.88Å
171	V	47	Very low	41.7	Very low	60 Å²	60	70.1 Å²	70.1	36%	0.364	38%	0.376	S	S	.	.	H	α-helix	trans	-60.8	-40.2	174.1	169.5	0	0	0	0	110.9	D167 N175	D167-V171 WeakPolarHBondContact O-CB 3.45Å; D167-V171 WeakPolarHBondContact O-CG2 3.23Å; D167-V171 PolarHBondContact O-N 3.33Å; V171-N175 WeakPolarHBondContact CG1-ND2 3.46Å; V171-N175 WeakPolarHBondContact O-CB 3.46Å; V171-N175 PolarHBondContact O-N 3.05Å; V171-N175 PolarHBondContact O-ND2 2.95Å
172	A	41.1	Very low	41.2	Very low	43 Å²	43	68.2 Å²	68.2	36%	0.355	37%	0.366	S	S	.	.	H	α-helix	trans	-62.5	-54.2	173.1	0	0	0	0	0	110.9	R168 F170 I174 N175 D176	R168-A172 WeakPolarHBondContact O-CA 2.91Å; R168-A172 WeakPolarHBondContact O-CB 3.26Å; R168-A172 PolarHBondContact O-N 2.69Å; F170-A172 VanDerWaalsContact C-N 3.31Å; F170-A172 PolarHBondContact O-N 2.68Å; A172-I174 VanDerWaalsContact C-N 3.28Å; A172-I174 PolarHBondContact O-N 3.43Å; A172-N175 CarbonylContact O-C 3.51Å; A172-N175 PolarHBondContact O-N 3.08Å; A172-N175 VanDerWaalsContact O-N 3.11Å; A172-D176 VanDerWaalsContact O-CB 3.27Å; A172-D176 WeakPolarHBondContact O-CB 3.47Å; A172-D176 PolarHBondContact O-N 3.18Å
173	I	41.3	Very low	40.9	Very low	46 Å²	46	71 Å²	71	24%	0.236	37%	0.366	C	S	.	.	H	α-helix	trans	-60.1	-37.1	-179.8	-70.8	165.2	0	0	0	112.1	V169 F170 R177	V169-I173 HydrophobicContact CG1-CD1 3.7Å; V169-I173 HydrophobicContact CG1-CG1 4.46Å; V169-I173 WeakPolarHBondContact O-CB 3.2Å; V169-I173 WeakPolarHBondContact O-CD1 3.41Å; V169-I173 WeakPolarHBondContact O-CG1 3.31Å; V169-I173 PolarHBondContact O-N 3.41Å; F170-I173 PolarHBondContact O-N 2.86Å; I173-R177 WeakPolarHBondContact O-CB 3.35Å; I173-R177 WeakPolarHBondContact O-CG 3.37Å; I173-R177 PolarHBondContact O-N 2.87Å; I173-R177 VanDerWaalsContact O-N 3.11Å
174	I	43.6	Very low	40.6	Very low	40 Å²	40	75.8 Å²	75.8	21%	0.205	39%	0.386	C	S	.	.	H	α-helix	trans	-72.4	-36.5	177.8	-65.7	163.3	0	0	0	110.9	F170 A172 N178 Q526	F170-I174 HydrophobicContact CB-CD1 4.47Å; F170-I174 VanDerWaalsContact O-CB 3.29Å; F170-I174 WeakPolarHBondContact O-CB 3.22Å; F170-I174 WeakPolarHBondContact O-CD1 3.38Å; F170-I174 WeakPolarHBondContact O-CG1 3.39Å; F170-I174 PolarHBondContact O-N 3.45Å; A172-I174 VanDerWaalsContact C-N 3.28Å; A172-I174 PolarHBondContact O-N 3.43Å; I174-N178 PolarHBondContact O-N 2.81Å; I174-N178 PolarHBondContact O-ND2 2.76Å; I174-Q526 HydrophobicContact CD1-CG 4.07Å
175	N	39.5	Very low	40	Very low	85 Å²	85	77.2 Å²	77.2	46%	0.455	39%	0.394	S	S	.	.	H	α-helix	trans	-76.4	-32	174.5	-71.5	-23.1	0	0	0	113.1	V171 A172 R177 N178 S179	V171-N175 WeakPolarHBondContact CG1-ND2 3.46Å; V171-N175 WeakPolarHBondContact O-CB 3.46Å; V171-N175 PolarHBondContact O-N 3.05Å; V171-N175 PolarHBondContact O-ND2 2.95Å; A172-N175 CarbonylContact O-C 3.51Å; A172-N175 PolarHBondContact O-N 3.08Å; A172-N175 VanDerWaalsContact O-N 3.11Å; N175-R177 VanDerWaalsContact C-N 3.3Å; N175-N178 CarbonylContact O-C 2.88Å; N175-N178 WeakPolarHBondContact O-CA 3.47Å; N175-N178 WeakPolarHBondContact O-CB 3.33Å; N175-N178 PolarHBondContact O-N 3.39Å; N175-S179 PolarHBondContact O-N 2.95Å; N175-S179 VanDerWaalsContact O-N 3.09Å
176	D	40.5	Very low	39	Very low	80 Å²	80	82.2 Å²	82.2	43%	0.428	42%	0.42	S	S	.	.	H	α-helix	trans	-70.5	-33.3	177.6	-148.5	21.2	0	0	0	109.8	A172 N178 S179 E180	A172-D176 VanDerWaalsContact O-CB 3.27Å; A172-D176 WeakPolarHBondContact O-CB 3.47Å; A172-D176 PolarHBondContact O-N 3.18Å; D176-N178 PolarHBondContact O-N 3.31Å; D176-S179 CarbonylContact O-C 3.56Å; D176-S179 WeakPolarHBondContact O-CA 3.3Å; D176-S179 WeakPolarHBondContact O-CB 3.41Å; D176-S179 PolarHBondContact O-N 3.34Å; D176-E180 PolarHBondContact O-N 3.15Å
177	R	42.2	Very low	38.2	Very low	86 Å²	86	87.1 Å²	87.1	33%	0.325	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.1	165.7	-76.4	173.7	152.7	-138.6	-6	114.9	I173 N175 C516	I173-R177 WeakPolarHBondContact O-CB 3.35Å; I173-R177 WeakPolarHBondContact O-CG 3.37Å; I173-R177 PolarHBondContact O-N 2.87Å; I173-R177 VanDerWaalsContact O-N 3.11Å; N175-R177 VanDerWaalsContact C-N 3.3Å; R177-C516 PolarHBondContact NH1-O 3.18Å; R177-C516 PolarHBondContact NH2-O 3.23Å; R177-C516 PolarHBondContact NH2-SG 3.1Å
178	N	36.6	Very low	37.3	Very low	119 Å²	119	88.9 Å²	88.9	64%	0.636	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	1	167.4	-59.9	-42.3	0	0	0	112.3	I174 N175 D176	I174-N178 PolarHBondContact O-N 2.81Å; I174-N178 PolarHBondContact O-ND2 2.76Å; N175-N178 CarbonylContact O-C 2.88Å; N175-N178 WeakPolarHBondContact O-CA 3.47Å; N175-N178 WeakPolarHBondContact O-CB 3.33Å; N175-N178 PolarHBondContact O-N 3.39Å; D176-N178 PolarHBondContact O-N 3.31Å
179	S	34.7	Very low	36.5	Very low	73 Å²	73	89 Å²	89	51%	0.51	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-49.9	-178	-177.7	0	0	0	0	111	N175 D176 H181 D182	N175-S179 PolarHBondContact O-N 2.95Å; N175-S179 VanDerWaalsContact O-N 3.09Å; D176-S179 CarbonylContact O-C 3.56Å; D176-S179 WeakPolarHBondContact O-CA 3.3Å; D176-S179 WeakPolarHBondContact O-CB 3.41Å; D176-S179 PolarHBondContact O-N 3.34Å; S179-H181 PolarHBondContact O-N 2.72Å; S179-D182 PolarHBondContact O-N 2.98Å
180	E	34.1	Very low	35.5	Very low	102 Å²	102	94.6 Å²	94.6	48%	0.477	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	26	170.7	-64.4	-156.6	113.5	0	0	113.7	D176 P405 S407	D176-E180 PolarHBondContact O-N 3.15Å; E180-P405 WeakPolarHBondContact O-CB 3.41Å; E180-P405 VanDerWaalsContact O-CG 3.27Å; E180-P405 WeakPolarHBondContact O-CG 3.48Å; E180-S407 PolarHBondContact OE1-OG 3.48Å
181	H	32.1	Very low	34.6	Very low	127 Å²	127	98.3 Å²	98.3	59%	0.588	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-10.8	156.3	-85.1	-53	0	0	0	113.4	S179 Q404	S179-H181 PolarHBondContact O-N 2.72Å; H181-Q404 CarbonylContact O-C 3.56Å; H181-Q404 WeakPolarHBondContact O-CA 3.32Å; H181-Q404 PolarHBondContact O-N 3.18Å
182	D	27.1	Very low	33.7	Very low	66 Å²	66	102.4 Å²	102.4	35%	0.353	55%	0.552	S	S	.	*			trans	-75.8	155	163.6	29	-106.4	0	0	0	115.8	S179 F403 Q404 P405	S179-D182 PolarHBondContact O-N 2.98Å; D182-F403 HydrophobicContact CB-CB 3.48Å; D182-F403 VanDerWaalsContact CB-CB 3.48Å; D182-F403 PolarHBondContact OD1-N 2.9Å; D182-Q404 CarbonylContact C-O 2.7Å; D182-Q404 PolarHBondContact OD1-N 3.28Å; D182-P405 VanDerWaalsContact O-CA 3.23Å; D182-P405 WeakPolarHBondContact O-CA 3.45Å; D182-P405 WeakPolarHBondContact O-CB 3.19Å
183	I	29.3	Very low	33.2	Very low	115 Å²	115	105.1 Å²	105.1	59%	0.59	57%	0.568	S	S	*	*			trans	76.7	76.4	-178.7	-37.5	176.8	0	0	0	120	Q404 P405 S406	I183-Q404 CarbonylContact C-O 3.37Å; I183-Q404 WeakPolarHBondContact CA-O 3.5Å; I183-Q404 PolarHBondContact N-O 3.02Å; I183-P405 CarbonylContact O-C 2.82Å; I183-P405 WeakPolarHBondContact O-CA 3.35Å; I183-S406 WeakPolarHBondContact CG2-OG 3.39Å; I183-S406 WeakPolarHBondContact O-CB 3.22Å; I183-S406 PolarHBondContact O-N 3.06Å; I183-S406 PolarHBondContact O-OG 3.22Å; I183-S406 VanDerWaalsContact O-OG 3.08Å
184	F	26.2	Very low	32.9	Very low	104 Å²	104	109.5 Å²	109.5	46%	0.456	59%	0.587	S	S	.	*			trans	-163.5	-174.5	159.1	-113.2	-30.9	0	0	0	108.8	F403 Q404 P405	F184-F403 CarbonylContact C-O 3.58Å; F184-F403 PolarHBondContact N-O 3.47Å; F184-F403 WeakPolarHBondContact O-CD1 3.17Å; F184-Q404 HydrophobicContact CB-CB 3.94Å; F184-Q404 HydrophobicContact CB-CG 3.93Å; F184-Q404 PolarHBondContact N-O 3.39Å; F184-P405 WeakPolarHBondContact CD2-O 3.44Å; F184-P405 WeakPolarHBondContact CE2-O 3.46Å
185	N	30.6	Very low	32.4	Very low	100 Å²	100	118.2 Å²	118.2	54%	0.535	62%	0.618	S	S	.	*			trans	58.7	66.9	-162.1	-59.2	-43	0	0	0	112.2	N187 F403 Q404	N185-N187 PolarHBondContact O-N 2.73Å; N185-F403 HydrophobicContact CB-CE1 4.23Å; N185-Q404 PolarHBondContact OD1-NE2 2.75Å
186	D	28.7	Very low	31.9	Very low	130 Å²	130	118.7 Å²	118.7	70%	0.695	63%	0.626	S	S	*	*			trans	-46.7	129.6	138.3	-62.3	-70.1	0	0	0	108.8
187	N	32.9	Very low	31.6	Very low	137 Å²	137	123.2 Å²	123.2	73%	0.733	64%	0.643	S	S	*	*				-178.4	129	97.6	-86.6	-70.3	0	0	0	111.1	N185	N185-N187 PolarHBondContact O-N 2.73Å
188	D	29.4	Very low	31.4	Very low	148 Å²	148	127.1 Å²	127.1	79%	0.791	66%	0.662	S	S	*	*			trans	69.9	162.3	154.4	-66.4	-46.4	0	0	0	122.6
189	V	32	Very low	31.3	Very low	137 Å²	137	128.3 Å²	128.3	83%	0.83	66%	0.663	S	S	*	*			trans	77.5	57.5	168	-153.1	0	0	0	0	118
190	N	28.5	Very low	31.3	Very low	141 Å²	141	132.5 Å²	132.5	75%	0.754	68%	0.679	S	S	*	*				-0.7	124	129.9	-178	30.8	0	0	0	118.2
191	C	29.3	Very low	31.1	Very low	125 Å²	125	135.2 Å²	135.2	85%	0.845	70%	0.696	S	S	*	*			trans	-157.6	130.9	156.1	-170.7	0	0	0	0	112.4
192	D	27.6	Very low	31.1	Very low	147 Å²	147	135.6 Å²	135.6	79%	0.786	70%	0.703	S	S	*	*			trans	-78.8	139.1	-175	-69.7	-73	0	0	0	115.5
193	S	32.2	Very low	31.3	Very low	100 Å²	100	139.6 Å²	139.6	70%	0.699	72%	0.724	S	S	*	*			trans	-160.5	117.7	152.5	-166.2	0	0	0	0	112.6	R195	S193-R195 PolarHBondContact O-N 3.08Å
194	E	34.2	Very low	31.1	Very low	138 Å²	138	139.5 Å²	139.5	65%	0.645	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-3.8	-178.8	-104.3	-73.6	102.4	0	0	115.6	C196	E194-C196 PolarHBondContact O-N 2.96Å
195	R	32.7	Very low	31.2	Very low	222 Å²	222	142 Å²	142	84%	0.838	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-23.9	-167.1	-156.7	170.3	-171.4	165.7	2.7	114.8	S193	S193-R195 PolarHBondContact O-N 3.08Å
196	C	29.5	Very low	31.1	Very low	95 Å²	95	146.1 Å²	146.1	64%	0.642	77%	0.766	S	S	*	*	S	Bend	trans	-84	-29.8	-172.4	-154.7	0	0	0	0	113.9	E194 K198 Q199	E194-C196 PolarHBondContact O-N 2.96Å; C196-K198 PolarHBondContact O-N 3.2Å; C196-K198 VanDerWaalsContact O-N 3.12Å; C196-Q199 PolarHBondContact O-N 2.81Å
197	K	33.9	Very low	31.1	Very low	176 Å²	176	144.9 Å²	144.9	77%	0.765	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-4.6	-171.1	-72.8	179.7	178.3	171.6	0	115.5
198	K	37.3	Very low	30.8	Very low	167 Å²	167	143.4 Å²	143.4	73%	0.726	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-6.8	177.5	-76.7	-178.9	176.7	170.6	0	115.2	C196	C196-K198 PolarHBondContact O-N 3.2Å; C196-K198 VanDerWaalsContact O-N 3.12Å
199	Q	35.5	Very low	30.7	Very low	144 Å²	144	142 Å²	142	67%	0.673	77%	0.765	S	S	*	*	S	Bend	trans	-84.5	-23	-178.4	-147.7	69.1	36	0	0	113.3	C196 L201	C196-Q199 PolarHBondContact O-N 2.81Å; Q199-L201 PolarHBondContact O-N 3Å
200	L	34.5	Very low	30.6	Very low	162 Å²	162	143.5 Å²	143.5	85%	0.848	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	7.1	-172.7	-71.8	168.9	0	0	0	115.1
201	L	29.8	Very low	30.5	Very low	159 Å²	159	145.4 Å²	145.4	83%	0.832	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	9.5	-176.8	-150.6	75.8	0	0	0	114.1	Q199	Q199-L201 PolarHBondContact O-N 3Å
202	N	31.5	Very low	30.3	Very low	135 Å²	135	144.6 Å²	144.6	72%	0.722	77%	0.768	S	S	*	*	S	Bend	trans	-124.3	-1	-164.7	-120.8	23.1	0	0	0	116.3
203	N	30.8	Very low	30.4	Very low	149 Å²	149	145.6 Å²	145.6	80%	0.797	77%	0.77	S	S	*	*	S	Bend	trans	-106.3	21	-173.2	-74.8	17.4	0	0	0	114.3
204	S	27.1	Very low	30.3	Very low	113 Å²	113	146.9 Å²	146.9	79%	0.79	77%	0.768	S	S	*	*	S	Bend	trans	-102.1	-5.2	-177	-159.1	0	0	0	0	115.1
205	I	26.5	Very low	30	Very low	158 Å²	158	145.2 Å²	145.2	81%	0.81	77%	0.768	S	S	*	*	S	Bend	trans	-143.2	51.2	-175.4	-39.3	179.4	0	0	0	112.8
206	Q	28.4	Very low	29.8	Very low	185 Å²	185	141.5 Å²	141.5	86%	0.864	77%	0.765	S	S	*	*			trans	-157.5	142.4	156.2	-78.3	-155.3	-22.1	0	0	108.2
207	S	28.7	Very low	29.8	Very low	105 Å²	105	143.7 Å²	143.7	73%	0.734	77%	0.77	S	S	*	*			cis	-151.5	132.7	-5.1	52.2	0	0	0	0	110.7
208	S	26.6	Very low	29.7	Very low	106 Å²	106	139.2 Å²	139.2	74%	0.741	76%	0.761	S	S	*	*			trans	-70.8	175.2	159	51.6	0	0	0	0	111.4
209	V	27.8	Very low	29.3	Very low	118 Å²	118	140.1 Å²	140.1	72%	0.715	77%	0.768	S	S	*	*			trans	74.3	97.3	171.9	-167.4	0	0	0	0	115.4
210	N	30.6	Very low	29.1	Very low	168 Å²	168	139.6 Å²	139.6	90%	0.898	77%	0.769	S	S	*	*				-155.2	136.2	107.6	-95.9	-50.2	0	0	0	110.1
211	Q	25.7	Very low	28.9	Very low	182 Å²	182	142.1 Å²	142.1	85%	0.85	77%	0.774	S	S	*	*			trans	-134.3	157	-170.8	-169.3	-177.2	22.5	0	0	109.5
212	S	26.2	Very low	28.8	Very low	108 Å²	108	138.4 Å²	138.4	76%	0.755	76%	0.761	S	S	*	*			trans	70.1	120.3	168.3	75.5	0	0	0	0	117.8
213	M	29.1	Very low	28.7	Very low	167 Å²	167	139 Å²	139	82%	0.823	76%	0.764	S	S	*	*			trans	173	133.5	131.4	-84.2	-132.5	152.1	0	0	107.3
214	L	29.4	Very low	28.5	Very low	127 Å²	127	139 Å²	139	67%	0.665	76%	0.762	S	S	*	*			cis	-158.5	163.9	-10.9	-96.1	176.1	0	0	0	107.1
215	T	28.3	Very low	28.5	Very low	103 Å²	103	140.7 Å²	140.7	63%	0.632	76%	0.758	S	S	*	*			trans	22.4	148.8	144.5	63.4	0	0	0	0	121.7
216	D	29.5	Very low	28.6	Very low	145 Å²	145	142.6 Å²	142.6	78%	0.775	76%	0.756	S	S	*	*			cis	-166.3	-172	-14	-80.1	-33.9	0	0	0	103.7
217	D	29.3	Very low	28.5	Very low	140 Å²	140	145.7 Å²	145.7	75%	0.749	76%	0.762	S	S	*	*			cis	-158	169.1	8.8	-162.7	1.6	0	0	0	110
218	S	31.4	Very low	28.3	Very low	83 Å²	83	144 Å²	144	58%	0.58	75%	0.75	S	S	*	*			trans	66.2	111.6	147.8	67.1	0	0	0	0	122.2
219	E	29.9	Very low	28.3	Very low	186 Å²	186	145.3 Å²	145.3	87%	0.869	75%	0.753	S	S	*	*				72.5	147.5	121.1	-63.2	-176	155.8	0	0	124.2
220	D	30.4	Very low	28.4	Very low	132 Å²	132	146.1 Å²	146.1	71%	0.706	75%	0.752	S	S	*	*			trans	56.6	96	155.8	-93.7	-17.9	0	0	0	122
221	K	29.6	Very low	28.1	Very low	216 Å²	216	145.9 Å²	145.9	94%	0.939	75%	0.751	S	S	*	*			trans	-127.5	71	137.7	-79.1	-171.6	-178.7	168.4	0	112.1
222	S	29.1	Very low	28.4	Very low	80 Å²	80	141.7 Å²	141.7	56%	0.559	74%	0.742	S	S	*	*			trans	-74.5	168	153.2	56.8	0	0	0	0	110.8
223	L	29	Very low	28.4	Very low	149 Å²	149	144.9 Å²	144.9	78%	0.78	75%	0.745	S	S	*	*			trans	72.9	114.7	-178	-48.3	173	0	0	0	114.5
224	L	25.9	Very low	28.5	Very low	148 Å²	148	146.2 Å²	146.2	78%	0.775	75%	0.746	S	S	*	*				67.4	145.4	51.2	-64	169.6	0	0	0	115.4
225	Q	28.2	Very low	28.4	Very low	148 Å²	148	145.2 Å²	145.2	69%	0.692	75%	0.745	S	S	*	*			trans	51.9	103.4	163	-106.6	71.8	-8	0	0	117.7
226	Y	28.1	Very low	28.4	Very low	198 Å²	198	146.2 Å²	146.2	78%	0.776	75%	0.752	S	S	*	*				-176.5	72.3	112.9	-117.8	-85.5	0	0	0	114.5
227	Y	25.4	Very low	28.5	Very low	250 Å²	250	148.1 Å²	148.1	98%	0.98	76%	0.756	S	S	*	*			trans	-134.5	66.4	157.1	-84.1	-68.8	0	0	0	110.7
228	S	24.6	Very low	28.5	Very low	71 Å²	71	149.6 Å²	149.6	50%	0.497	76%	0.758	S	S	.	*			trans	-142.1	144.5	164.5	58.4	0	0	0	0	108.9
229	V	27	Very low	28.7	Very low	133 Å²	133	154.3 Å²	154.3	81%	0.806	77%	0.771	S	S	*	*			trans	62.8	125	-170.1	-141.3	0	0	0	0	110.9
230	I	29	Very low	28.7	Very low	134 Å²	134	151 Å²	151	69%	0.687	76%	0.763	S	S	*	*			cis	-136.4	109.9	35.3	-59.6	157.4	0	0	0	110.9	S232	I230-S232 WeakPolarHBondContact CG2-OG 3.04Å
231	D	25.6	Very low	28.9	Very low	163 Å²	163	152.7 Å²	152.7	87%	0.872	77%	0.767	S	S	*	*			trans	-76.8	137.8	133.7	-90.6	-55.5	0	0	0	107.8
232	S	30.8	Very low	29	Very low	94 Å²	94	146.9 Å²	146.9	66%	0.657	75%	0.751	S	S	*	*			trans	-134.3	92.2	174.6	-95.7	0	0	0	0	109.9	I230 K234	I230-S232 WeakPolarHBondContact CG2-OG 3.04Å; S232-K234 PolarHBondContact O-N 3.29Å
233	E	27	Very low	29	Very low	175 Å²	175	152.4 Å²	152.4	82%	0.818	77%	0.765	S	S	*	*			trans	-49.1	118.7	167.7	-56.4	177.7	131	0	0	110	T235	E233-T235 PolarHBondContact O-N 2.88Å
234	K	30.2	Very low	29.3	Very low	195 Å²	195	151.2 Å²	151.2	85%	0.848	76%	0.764	S	S	*	*			trans	-82.6	65.7	169	-80.1	-172.3	174.1	177.7	0	110.7	S232 T236	S232-K234 PolarHBondContact O-N 3.29Å; K234-T236 PolarHBondContact O-N 3.35Å; K234-T236 PolarHBondContact O-OG1 3.36Å
235	T	28.6	Very low	29.8	Very low	107 Å²	107	149.6 Å²	149.6	66%	0.656	77%	0.765	S	S	*	*			trans	-61	106.7	172.4	-61.5	0	0	0	0	109.5	E233 Q237	E233-T235 PolarHBondContact O-N 2.88Å; T235-Q237 PolarHBondContact O-N 2.98Å
236	T	27.7	Very low	30.1	Very low	124 Å²	124	148.3 Å²	148.3	76%	0.761	77%	0.769	S	S	*	*			trans	-80.8	104.8	-172.2	-48.2	0	0	0	0	109.9	K234 H238	K234-T236 PolarHBondContact O-N 3.35Å; K234-T236 PolarHBondContact O-OG1 3.36Å; T236-H238 PolarHBondContact O-N 2.86Å
237	Q	31.2	Very low	30.4	Very low	184 Å²	184	147.2 Å²	147.2	86%	0.86	78%	0.775	S	S	*	*			trans	-82.3	108.9	169.3	-71.3	-166.9	-0.4	0	0	110.5	T235	T235-Q237 PolarHBondContact O-N 2.98Å
238	H	29.9	Very low	30.7	Very low	171 Å²	171	140.1 Å²	140.1	79%	0.792	76%	0.762	S	S	*	*			trans	-79.7	138.5	167.4	-111.2	-57	0	0	0	110.5	T236	T236-H238 PolarHBondContact O-N 2.86Å
239	Q	35.9	Very low	31.1	Very low	183 Å²	183	145.5 Å²	145.5	86%	0.855	78%	0.779	S	S	*	*			trans	-121.6	141.9	147.7	-70.5	-168.7	-0.2	0	0	110.1
240	T	28.6	Very low	31.6	Very low	116 Å²	116	146.2 Å²	146.2	71%	0.712	78%	0.783	S	S	*	*			trans	-70.1	163.6	174.8	43.2	0	0	0	0	110.5
241	H	34.7	Very low	31.7	Very low	168 Å²	168	147 Å²	147	78%	0.778	78%	0.784	S	S	*	*			cis	-172.4	-170.9	2.5	-111	-21.5	0	0	0	106.3
242	P	32.4	Very low	32.1	Very low	93 Å²	93	146.1 Å²	146.1	60%	0.604	78%	0.775	S	S	*	*			cis	-137.8	156.8	-42.8	37.7	-21.3	0	0	0	115
243	K	29.6	Very low	32	Very low	197 Å²	197	147.1 Å²	147.1	86%	0.857	78%	0.777	S	S	*	*			trans	65.1	152.8	155.5	-60.6	163.5	-176.9	178.6	0	116.3
244	T	34.3	Very low	32.8	Very low	124 Å²	124	147.4 Å²	147.4	76%	0.761	78%	0.778	S	S	*	*			cis	-153	136.9	30.4	-48.4	0	0	0	0	112.9
245	S	37.7	Very low	33	Very low	113 Å²	113	148 Å²	148	79%	0.79	78%	0.781	S	S	*	*			trans	41.1	149	155.3	-54.2	0	0	0	0	124.3
246	P	33.4	Very low	33.6	Very low	121 Å²	121	148.8 Å²	148.8	79%	0.786	79%	0.791	S	S	*	*			trans	-106.7	174	-173.9	42.5	-36.4	0	0	0	115.3
247	I	34.8	Very low	34	Very low	175 Å²	175	148.9 Å²	148.9	90%	0.897	80%	0.797	S	S	*	*			trans	-158.9	166.1	153.8	-110.2	156.6	0	0	0	111.8
248	S	32.4	Very low	34.3	Very low	101 Å²	101	143.7 Å²	143.7	71%	0.706	79%	0.793	S	S	*	*			trans	-72.5	174.7	-157.3	-40.3	0	0	0	0	119.7
249	E	32	Very low	34.6	Very low	185 Å²	185	140.9 Å²	140.9	86%	0.864	79%	0.792	S	S	*	*			trans	-48.5	141.5	167	-52.4	151.6	125.5	0	0	114.7
250	V	37.7	Very low	34.7	Very low	147 Å²	147	137.6 Å²	137.6	89%	0.891	79%	0.789	S	S	*	*			trans	-147.3	146.8	149.4	-170.8	0	0	0	0	109.4
251	E	30.8	Very low	35.2	Very low	150 Å²	150	141 Å²	141	70%	0.701	80%	0.797	S	S	*	*			trans	-84.1	158.7	177.2	-84	-163.6	82.9	0	0	115.5
252	Q	34.4	Very low	35.9	Very low	145 Å²	145	139.2 Å²	139.2	68%	0.678	80%	0.798	S	S	*	*			trans	65.2	138.8	144.9	-75	179.1	57	0	0	122.5
253	T	29.2	Very low	37	Very low	115 Å²	115	139.3 Å²	139.3	71%	0.706	80%	0.8	S	S	*	*			trans	66.2	144.1	163.4	61.3	0	0	0	0	116.8
254	H	43.3	Very low	38.8	Very low	181 Å²	181	133.4 Å²	133.4	84%	0.838	78%	0.781	S	S	*	*			cis	-144.1	175.2	39.8	-93.9	-96.4	0	0	0	114.6
255	K	34.8	Very low	41.2	Very low	207 Å²	207	135.1 Å²	135.1	90%	0.9	77%	0.774	S	S	*	*			trans	-79.2	145.6	174.3	-60	171.8	-179.6	172.6	0	112.5
256	S	40.6	Very low	44	Very low	124 Å²	124	134.9 Å²	134.9	87%	0.867	76%	0.761	S	S	*	*			trans	-146.2	145.3	143.9	59.9	0	0	0	0	110.2
257	S	35.7	Very low	47.1	Very low	127 Å²	127	129.1 Å²	129.1	89%	0.888	72%	0.724	S	S	*	*			trans	-108.1	119.7	-176.1	51.2	0	0	0	0	110.5
258	G	37.4	Very low	50	Low	75 Å²	75	124.5 Å²	124.5	77%	0.773	70%	0.704	S	S	*	*			trans	-147.3	116.6	-177.8	0	0	0	0	0	112.3
259	S	38	Very low	53.2	Low	112 Å²	112	119.8 Å²	119.8	78%	0.783	67%	0.671	S	S	*	*			trans	-32.5	134.9	176.2	49.7	0	0	0	0	119.2
260	S	36.2	Very low	56.3	Low	113 Å²	113	111.2 Å²	111.2	79%	0.79	63%	0.631	S	S	*	*				67.3	80.8	129.4	-53.2	0	0	0	0	120.8
261	E	40.4	Very low	59.1	Low	187 Å²	187	106.3 Å²	106.3	87%	0.874	61%	0.61	S	S	*	*				-155.5	111.9	122.8	-127.8	-177.7	-154.5	0	0	112	S263	E261-S263 VanDerWaalsContact C-N 3.33Å; E261-S263 PolarHBondContact O-N 3.14Å
262	V	48.1	Very low	62.3	Low	132 Å²	132	100.2 Å²	100.2	80%	0.8	58%	0.582	S	S	*	*			trans	-86.1	77.1	-178.8	-173.8	0	0	0	0	109.9	T264	V262-T264 PolarHBondContact O-N 2.96Å; V262-T264 PolarHBondContact O-OG1 2.99Å
263	S	55.6	Low	65.2	Low	94 Å²	94	99.9 Å²	99.9	66%	0.657	58%	0.579	S	S	*	*			trans	-57.2	95.3	171.8	48.1	0	0	0	0	110.4	E261 R265	E261-S263 VanDerWaalsContact C-N 3.33Å; E261-S263 PolarHBondContact O-N 3.14Å; S263-R265 PolarHBondContact O-N 3.21Å
264	T	67.5	Low	68.4	Low	74 Å²	74	95.2 Å²	95.2	45%	0.454	55%	0.552	S	S	.	*			trans	-74.8	94.2	-169.4	-67.1	0	0	0	0	109.7	V262 K273	V262-T264 PolarHBondContact O-N 2.96Å; V262-T264 PolarHBondContact O-OG1 2.99Å; T264-K273 HydrophobicContact CG2-CD 3.83Å; T264-K273 HydrophobicContact CG2-CG 3.89Å
265	R	85.4	Confident	70.9	Confident	159 Å²	159	89.6 Å²	89.6	60%	0.6	53%	0.533	S	S	*	.			trans	-56.1	139.7	-177.9	-66.1	-178.1	-179.5	158	1.4	111.4	S263 A274	S263-R265 PolarHBondContact O-N 3.21Å; R265-A274 HydrophobicContact CB-CB 4.2Å; R265-A274 WeakPolarHBondContact O-CB 3.27Å; R265-A274 PolarHBondContact O-N 3.37Å
266	M	96	Very high	73.7	Confident	108 Å²	108	81.2 Å²	81.2	53%	0.532	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-103.5	154	-179.3	-65.1	-68	-101.6	0	0	111	V268 G271 S282	M266-V268 PolarHBondContact O-N 3.02Å; M266-G271 WeakPolarHBondContact CE-O 3.1Å; M266-S282 PolarHBondContact O-OG 2.94Å
267	C	98.2	Very high	76.3	Confident	1 Å²	1	81.5 Å²	81.5	1%	0.007	49%	0.491	C	S	.	.			trans	-79	106.6	178.1	175.7	0	0	0	0	109.9	V269 C270 G271 D272 S282 T283 C284	C267-V269 PolarHBondContact O-N 3.39Å; C267-C270 PolarHBondContact O-N 3.31Å; C267-G271 PolarHBondContact O-N 3.34Å; C267-D272 WeakPolarHBondContact CB-O 3.44Å; C267-D272 PolarHBondContact N-O 2.87Å; C267-S282 WeakPolarHBondContact CA-O 3.35Å; C267-T283 VanDerWaalsContact SG-CA 3.6Å; C267-C284 HydrophobicContact CB-CB 3.96Å; C267-C284 PolarHBondContact SG-N 3.26Å
268	V	97.1	Very high	79.2	Confident	78 Å²	78	76.9 Å²	76.9	47%	0.473	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.8	-174	-57.4	0	0	0	0	114.4	M266 V281 S282 V330	M266-V268 PolarHBondContact O-N 3.02Å; V268-V281 HydrophobicContact CG2-CG1 3.5Å; V268-V281 VanDerWaalsContact CG2-CG1 3.5Å; V268-S282 PolarHBondContact N-O 2.85Å; V268-V330 HydrophobicContact CG2-CB 3.81Å; V268-V330 HydrophobicContact CG2-CG1 4.01Å; V268-V330 HydrophobicContact CG2-CG2 3.91Å
269	V	97.9	Very high	82.1	Confident	2 Å²	2	75.5 Å²	75.5	1%	0.012	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-34.8	172.9	-179.7	0	0	0	0	112.8	C267 T283 C287 I311 K326 V330 M332	C267-V269 PolarHBondContact O-N 3.39Å; V269-T283 HydrophobicContact CG2-CG2 3.93Å; V269-C287 HydrophobicContact CB-CB 4.33Å; V269-C287 HydrophobicContact CG1-CB 4.37Å; V269-C287 HydrophobicContact CG2-CB 4.46Å; V269-I311 HydrophobicContact CG1-CG2 4.23Å; V269-I311 VanDerWaalsContact O-CG2 3.22Å; V269-I311 WeakPolarHBondContact O-CG2 3.23Å; V269-K326 HydrophobicContact CG1-CG 4.29Å; V269-V330 HydrophobicContact CG2-CG2 3.65Å; V269-M332 HydrophobicContact CG2-SD 3.98Å
270	C	98	Very high	84.7	Confident	5 Å²	5	73 Å²	73	3%	0.034	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-153.8	9.3	-165.8	76.1	0	0	0	0	116.8	C267 D272 C287 I311 N312 K313 R316	C267-C270 PolarHBondContact O-N 3.31Å; C270-D272 PolarHBondContact O-N 3.03Å; C270-D272 VanDerWaalsContact O-N 3.14Å; C270-C287 VanDerWaalsContact SG-SG 3.64Å; C270-I311 WeakPolarHBondContact CA-O 3.46Å; C270-I311 HydrophobicContact CB-CG2 3.96Å; C270-N312 CarbonylContact O-C 3.19Å; C270-N312 VanDerWaalsContact O-C 3.25Å; C270-N312 WeakPolarHBondContact O-CA 3.11Å; C270-K313 PolarHBondContact O-N 3.06Å; C270-R316 HydrophobicContact CB-CB 4.28Å; C270-R316 PolarHBondContact SG-NH1 3.29Å
271	G	96.6	Very high	87.6	Confident	43 Å²	43	68.6 Å²	68.6	44%	0.443	39%	0.388	S	S	.	.	S	Bend	trans	68.6	8.5	177.4	0	0	0	0	0	116.4	M266 C267	M266-G271 WeakPolarHBondContact CE-O 3.1Å; C267-G271 PolarHBondContact O-N 3.34Å
272	D	97.1	Very high	90.3	Very high	22 Å²	22	60.4 Å²	60.4	12%	0.118	35%	0.351	C	S	.	.	S	Bend	trans	-81.5	160	174	-159.6	2.6	0	0	0	111	C267 C270 A274 C284 K313 R316	C267-D272 WeakPolarHBondContact CB-O 3.44Å; C267-D272 PolarHBondContact N-O 2.87Å; C270-D272 PolarHBondContact O-N 3.03Å; C270-D272 VanDerWaalsContact O-N 3.14Å; D272-A274 PolarHBondContact O-N 3.06Å; D272-C284 HydrophobicContact CB-CB 4.14Å; D272-K313 HydrophobicContact CB-CB 4.48Å; D272-K313 HydrophobicContact CB-CD 4.19Å; D272-K313 HydrophobicContact CB-CG 4.2Å; D272-K313 WeakPolarHBondContact OD1-CD 3.06Å; D272-K313 WeakPolarHBondContact OD1-CE 2.9Å; D272-K313 IonicContact OD1-NZ 3.71Å; D272-K313 PolarHBondContact OD1-NZ 3.25Å; D272-R316 IonicContact OD2-CZ 2.69Å; D272-R316 IonicContact OD2-NH1 3.08Å; D272-R316 PolarHBondContact OD2-NH1 2.88Å; D272-R316 IonicContact OD2-NH2 2.68Å; D272-R316 PolarHBondContact OD2-NH2 3.44Å
273	K	96.4	Very high	92.6	Very high	138 Å²	138	54.1 Å²	54.1	60%	0.6	31%	0.313	S	S	*	.	B	Isolated β-bridge	trans	-59.2	126.5	-179.2	178.9	166.2	175.7	165.7	0	110.4	T264 C284	T264-K273 HydrophobicContact CG2-CD 3.83Å; T264-K273 HydrophobicContact CG2-CG 3.89Å; K273-C284 WeakPolarHBondContact O-CB 3.25Å
274	A	96.9	Very high	94.7	Very high	18 Å²	18	49.9 Å²	49.9	15%	0.149	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-74.1	141.6	178.3	0	0	0	0	0	110.8	R265 D272 T283	R265-A274 HydrophobicContact CB-CB 4.2Å; R265-A274 WeakPolarHBondContact O-CB 3.27Å; R265-A274 PolarHBondContact O-N 3.37Å; D272-A274 PolarHBondContact O-N 3.06Å; A274-T283 WeakPolarHBondContact CA-O 3.32Å
275	S	95.4	Very high	96.1	Very high	62 Å²	62	51.1 Å²	51.1	43%	0.434	28%	0.284	S	S	.	.			trans	-92.4	-15.2	173.5	37.9	0	0	0	0	112.8	H278 T283 E285	S275-H278 PolarHBondContact OG-NE2 2.94Å; S275-T283 PolarHBondContact N-O 3.14Å; S275-T283 PolarHBondContact OG-O 3.42Å; S275-E285 WeakPolarHBondContact CB-OE1 3.36Å; S275-E285 PolarHBondContact OG-N 2.99Å; S275-E285 PolarHBondContact OG-OE1 2.91Å; S275-E285 VanDerWaalsContact OG-OE1 3.05Å
276	G	93.4	Very high	96.7	Very high	31 Å²	31	45.1 Å²	45.1	32%	0.32	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	152.5	-166.9	-175.8	0	0	0	0	0	111.3	T283	G276-T283 PolarHBondContact O-N 2.74Å
277	F	95.6	Very high	96.8	Very high	130 Å²	130	40 Å²	40	57%	0.57	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86	125.7	167.1	-70.4	-84.6	0	0	0	109.9	G280 V281	F277-G280 WeakPolarHBondContact CD1-O 2.99Å; F277-V281 CarbonylContact C-O 3.51Å; F277-V281 WeakPolarHBondContact CA-O 3.34Å
278	H	97.2	Very high	96.8	Very high	31 Å²	31	42.2 Å²	42.2	14%	0.144	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.5	173.6	-55.4	-66.5	0	0	0	108.9	S275 G280 V281 T283 E285 K288	S275-H278 PolarHBondContact OG-NE2 2.94Å; H278-G280 VanDerWaalsContact C-N 3.27Å; H278-G280 PolarHBondContact O-N 3.32Å; H278-V281 PolarHBondContact N-O 2.93Å; H278-V281 WeakPolarHBondContact O-CA 3.4Å; H278-V281 PolarHBondContact O-N 2.76Å; H278-T283 PolarHBondContact CD2-OG1 2.82Å; H278-E285 IonicContact CE1-OE1 2.69Å; H278-E285 PolarHBondContact CE1-OE1 2.83Å; H278-E285 IonicContact NE2-OE1 3.13Å; H278-E285 PolarHBondContact NE2-OE1 3.03Å; H278-E285 VanDerWaalsContact NE2-OE1 3.08Å; H278-K288 HydrophobicContact CB-CB 3.96Å; H278-K288 HydrophobicContact CB-CD 4.43Å; H278-K288 HydrophobicContact CB-CG 3.84Å; H278-K288 WeakPolarHBondContact CE1-CE 3.46Å; H278-K288 PolarHBondContact CE1-NZ 2.89Å; H278-K288 VanDerWaalsContact CE1-NZ 3.33Å; H278-K288 VanDerWaalsContact ND1-CE 3.28Å; H278-K288 WeakPolarHBondContact ND1-CE 3.18Å
279	Y	96.3	Very high	96.7	Very high	45 Å²	45	39.1 Å²	39.1	18%	0.176	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	38.5	-177.6	-44.8	-68.2	0	0	0	113.2	V281 K288 F291 R292 M332 S333 A336 V337	Y279-V281 PolarHBondContact O-N 2.97Å; Y279-K288 HydrophobicContact CE2-CG 4.03Å; Y279-F291 AromaticContact CD2-CD1 3.7Å; Y279-F291 HydrophobicContact CD2-CD1 3.7Å; Y279-F291 HydrophobicContact CD2-CE1 4.32Å; Y279-F291 HydrophobicContact CE2-CD1 4.21Å; Y279-F291 AromaticContact CG-CD1 4Å; Y279-F291 HydrophobicContact CG-CD1 4Å; Y279-F291 HydrophobicContact CG-CE1 4.14Å; Y279-R292 HydrophobicContact CE2-CB 4.4Å; Y279-R292 WeakPolarHBondContact OH-CB 3.26Å; Y279-R292 WeakPolarHBondContact OH-CD 3.44Å; Y279-R292 WeakPolarHBondContact OH-CG 3.35Å; Y279-M332 HydrophobicContact CD2-CE 3.75Å; Y279-M332 WeakPolarHBondContact O-CA 3.01Å; Y279-S333 PolarHBondContact O-N 3.29Å; Y279-A336 HydrophobicContact CD1-CB 3.8Å; Y279-V337 HydrophobicContact CD1-CG2 3.66Å; Y279-V337 HydrophobicContact CE1-CB 4.29Å; Y279-V337 HydrophobicContact CE1-CG2 3.64Å; Y279-V337 HydrophobicContact CG-CG2 4.21Å
280	G	94.1	Very high	96.8	Very high	61 Å²	61	39.4 Å²	39.4	63%	0.629	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.8	-19.1	-173.4	0	0	0	0	0	115	F277 H278	F277-G280 WeakPolarHBondContact CD1-O 2.99Å; H278-G280 VanDerWaalsContact C-N 3.27Å; H278-G280 PolarHBondContact O-N 3.32Å
281	V	95.7	Very high	96.7	Very high	20 Å²	20	39.2 Å²	39.2	12%	0.121	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	114.8	-170.2	-125.5	0	0	0	0	119.6	V268 F277 H278 Y279 T283 V330 G331 M332	V268-V281 HydrophobicContact CG2-CG1 3.5Å; V268-V281 VanDerWaalsContact CG2-CG1 3.5Å; F277-V281 CarbonylContact C-O 3.51Å; F277-V281 WeakPolarHBondContact CA-O 3.34Å; H278-V281 PolarHBondContact N-O 2.93Å; H278-V281 WeakPolarHBondContact O-CA 3.4Å; H278-V281 PolarHBondContact O-N 2.76Å; Y279-V281 PolarHBondContact O-N 2.97Å; V281-T283 HydrophobicContact CB-CG2 4.36Å; V281-T283 PolarHBondContact O-N 2.83Å; V281-T283 PolarHBondContact O-OG1 2.94Å; V281-V330 HydrophobicContact CB-CG2 4.49Å; V281-V330 HydrophobicContact CG1-CG2 4.36Å; V281-V330 WeakPolarHBondContact CG2-O 3.4Å; V281-G331 VanDerWaalsContact CG2-O 3.31Å; V281-G331 WeakPolarHBondContact CG2-O 3.34Å; V281-M332 HydrophobicContact CB-CG 3.96Å; V281-M332 HydrophobicContact CG2-CB 4.5Å; V281-M332 HydrophobicContact CG2-CG 3.83Å
282	S	97.2	Very high	96.7	Very high	15 Å²	15	42.4 Å²	42.4	11%	0.105	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	102.5	163.2	176.7	0	0	0	0	110.7	M266 C267 V268	M266-S282 PolarHBondContact O-OG 2.94Å; C267-S282 WeakPolarHBondContact CA-O 3.35Å; V268-S282 PolarHBondContact N-O 2.85Å
283	T	97.8	Very high	96.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	160.3	-168.3	52.2	0	0	0	0	113.9	C267 V269 A274 S275 G276 H278 V281 M332	C267-T283 VanDerWaalsContact SG-CA 3.6Å; V269-T283 HydrophobicContact CG2-CG2 3.93Å; A274-T283 WeakPolarHBondContact CA-O 3.32Å; S275-T283 PolarHBondContact N-O 3.14Å; S275-T283 PolarHBondContact OG-O 3.42Å; G276-T283 PolarHBondContact O-N 2.74Å; H278-T283 PolarHBondContact CD2-OG1 2.82Å; V281-T283 HydrophobicContact CB-CG2 4.36Å; V281-T283 PolarHBondContact O-N 2.83Å; V281-T283 PolarHBondContact O-OG1 2.94Å; T283-M332 HydrophobicContact CG2-CE 4.19Å; T283-M332 HydrophobicContact CG2-SD 3.97Å
284	C	98.3	Very high	96.6	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.034	23%	0.227	C	C	.	.			trans	-84.9	157	171.5	67.9	0	0	0	0	111.3	C267 D272 K273 G286 C287 K288 R316	C267-C284 HydrophobicContact CB-CB 3.96Å; C267-C284 PolarHBondContact SG-N 3.26Å; D272-C284 HydrophobicContact CB-CB 4.14Å; K273-C284 WeakPolarHBondContact O-CB 3.25Å; C284-G286 PolarHBondContact O-N 2.84Å; C284-G286 VanDerWaalsContact O-N 3.1Å; C284-C287 PolarHBondContact O-N 2.72Å; C284-K288 PolarHBondContact O-N 2.75Å; C284-R316 PolarHBondContact SG-NH1 2.89Å
285	E	97.4	Very high	96.5	Very high	99 Å²	99	41.7 Å²	41.7	46%	0.463	23%	0.229	S	C	.	.	H	α-helix	trans	-52	-33.5	175.2	-67.7	-60.4	120	0	0	112.9	S275 H278 C287 K288 G289	S275-E285 WeakPolarHBondContact CB-OE1 3.36Å; S275-E285 PolarHBondContact OG-N 2.99Å; S275-E285 PolarHBondContact OG-OE1 2.91Å; S275-E285 VanDerWaalsContact OG-OE1 3.05Å; H278-E285 IonicContact CE1-OE1 2.69Å; H278-E285 PolarHBondContact CE1-OE1 2.83Å; H278-E285 IonicContact NE2-OE1 3.13Å; H278-E285 PolarHBondContact NE2-OE1 3.03Å; H278-E285 VanDerWaalsContact NE2-OE1 3.08Å; E285-C287 PolarHBondContact O-N 2.77Å; E285-K288 VanDerWaalsContact OE1-CD 3.31Å; E285-K288 WeakPolarHBondContact OE1-CD 3.39Å; E285-K288 IonicContact OE1-NZ 2.65Å; E285-K288 PolarHBondContact OE1-NZ 2.65Å; E285-K288 WeakPolarHBondContact OE2-CD 3.31Å; E285-K288 WeakPolarHBondContact OE2-CE 3.44Å; E285-K288 IonicContact OE2-NZ 2.65Å; E285-K288 PolarHBondContact OE2-NZ 2.7Å; E285-G289 PolarHBondContact O-N 3.09Å
286	G	97.5	Very high	96.2	Very high	33 Å²	33	43 Å²	43	34%	0.34	23%	0.227	S	C	.	.	H	α-helix	trans	-64.8	-33.2	177	0	0	0	0	0	114.4	C284 F290 R323	C284-G286 PolarHBondContact O-N 2.84Å; C284-G286 VanDerWaalsContact O-N 3.1Å; G286-F290 WeakPolarHBondContact O-CB 3.34Å; G286-F290 PolarHBondContact O-N 2.89Å; G286-R323 PolarHBondContact O-NH2 3.47Å
287	C	98.4	Very high	96	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-88.2	-39.8	177	-69.7	0	0	0	0	111.8	V269 C270 C284 E285 G289 F290 F291	V269-C287 HydrophobicContact CB-CB 4.33Å; V269-C287 HydrophobicContact CG1-CB 4.37Å; V269-C287 HydrophobicContact CG2-CB 4.46Å; C270-C287 VanDerWaalsContact SG-SG 3.64Å; C284-C287 PolarHBondContact O-N 2.72Å; E285-C287 PolarHBondContact O-N 2.77Å; C287-G289 PolarHBondContact O-N 2.94Å; C287-F290 PolarHBondContact O-N 3.26Å; C287-F291 WeakPolarHBondContact O-CB 3.19Å; C287-F291 PolarHBondContact O-N 3.5Å
288	K	97.6	Very high	95.5	Very high	49 Å²	49	50 Å²	50	21%	0.213	25%	0.251	C	S	.	.	H	α-helix	trans	-49.4	-52.5	167.1	172.4	-158.1	-164.6	177.4	0	112.2	H278 Y279 C284 E285 R292	H278-K288 HydrophobicContact CB-CB 3.96Å; H278-K288 HydrophobicContact CB-CD 4.43Å; H278-K288 HydrophobicContact CB-CG 3.84Å; H278-K288 WeakPolarHBondContact CE1-CE 3.46Å; H278-K288 PolarHBondContact CE1-NZ 2.89Å; H278-K288 VanDerWaalsContact CE1-NZ 3.33Å; H278-K288 VanDerWaalsContact ND1-CE 3.28Å; H278-K288 WeakPolarHBondContact ND1-CE 3.18Å; Y279-K288 HydrophobicContact CE2-CG 4.03Å; C284-K288 PolarHBondContact O-N 2.75Å; E285-K288 VanDerWaalsContact OE1-CD 3.31Å; E285-K288 WeakPolarHBondContact OE1-CD 3.39Å; E285-K288 IonicContact OE1-NZ 2.65Å; E285-K288 PolarHBondContact OE1-NZ 2.65Å; E285-K288 WeakPolarHBondContact OE2-CD 3.31Å; E285-K288 WeakPolarHBondContact OE2-CE 3.44Å; E285-K288 IonicContact OE2-NZ 2.65Å; E285-K288 PolarHBondContact OE2-NZ 2.7Å; K288-R292 WeakPolarHBondContact O-CB 3.35Å; K288-R292 PolarHBondContact O-N 2.64Å
289	G	97	Very high	94.9	Very high	12 Å²	12	52 Å²	52	12%	0.124	26%	0.26	C	S	.	.	H	α-helix	trans	-70.3	-31	-178.5	0	0	0	0	0	113.7	E285 C287 R293	E285-G289 PolarHBondContact O-N 3.09Å; C287-G289 PolarHBondContact O-N 2.94Å; G289-R293 WeakPolarHBondContact O-CG 3.21Å; G289-R293 VanDerWaalsContact O-CZ 3.32Å; G289-R293 PolarHBondContact O-N 3.14Å; G289-R293 PolarHBondContact O-NH1 2.88Å
290	F	98.1	Very high	94.4	Very high	9 Å²	9	55.4 Å²	55.4	4%	0.039	29%	0.291	C	S	.	.	H	α-helix	trans	-69	-55.7	172.8	169.8	-97.7	0	0	0	111.4	G286 C287 R292 R293 A294 Y301 Q320 R323 L324	G286-F290 WeakPolarHBondContact O-CB 3.34Å; G286-F290 PolarHBondContact O-N 2.89Å; C287-F290 PolarHBondContact O-N 3.26Å; F290-R292 VanDerWaalsContact C-N 3.32Å; F290-R292 PolarHBondContact O-N 3.25Å; F290-R293 PolarHBondContact O-N 3.17Å; F290-A294 PolarHBondContact O-N 3.11Å; F290-Y301 HydrophobicContact CE2-CE2 4.01Å; F290-Y301 HydrophobicContact CZ-CD2 4.43Å; F290-Y301 AromaticContact CZ-CE2 3.79Å; F290-Y301 HydrophobicContact CZ-CE2 3.79Å; F290-Q320 HydrophobicContact CE2-CB 4.23Å; F290-Q320 HydrophobicContact CE2-CG 4.3Å; F290-Q320 HydrophobicContact CZ-CB 4.41Å; F290-Q320 WeakPolarHBondContact CZ-O 3.15Å; F290-R323 VanDerWaalsContact CD1-CD 3.49Å; F290-R323 HydrophobicContact CD1-CG 3.93Å; F290-R323 HydrophobicContact CE1-CB 4Å; F290-R323 HydrophobicContact CE1-CG 3.75Å; F290-R323 HydrophobicContact CZ-CB 4.13Å; F290-R323 HydrophobicContact CZ-CG 4.24Å; F290-L324 HydrophobicContact CE1-CB 3.96Å; F290-L324 HydrophobicContact CE1-CD1 4.31Å; F290-L324 HydrophobicContact CZ-CB 4.05Å
291	F	97.8	Very high	94.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.4	-44.8	-178.6	-175.4	-101.7	0	0	0	111.5	Y279 C287 R293 A294 I295 L324 C327 I328 M332 S333 R334 V337	Y279-F291 AromaticContact CD2-CD1 3.7Å; Y279-F291 HydrophobicContact CD2-CD1 3.7Å; Y279-F291 HydrophobicContact CD2-CE1 4.32Å; Y279-F291 HydrophobicContact CE2-CD1 4.21Å; Y279-F291 AromaticContact CG-CD1 4Å; Y279-F291 HydrophobicContact CG-CD1 4Å; Y279-F291 HydrophobicContact CG-CE1 4.14Å; C287-F291 WeakPolarHBondContact O-CB 3.19Å; C287-F291 PolarHBondContact O-N 3.5Å; F291-R293 VanDerWaalsContact C-N 3.32Å; F291-R293 PolarHBondContact O-N 3.04Å; F291-A294 PolarHBondContact O-N 3.12Å; F291-I295 HydrophobicContact CD1-CG1 4.34Å; F291-I295 HydrophobicContact CD2-CG1 4.39Å; F291-I295 HydrophobicContact CE1-CG1 3.98Å; F291-I295 HydrophobicContact CE2-CD1 4.24Å; F291-I295 HydrophobicContact CE2-CG1 4.05Å; F291-I295 HydrophobicContact CZ-CD1 4.26Å; F291-I295 HydrophobicContact CZ-CG1 3.82Å; F291-I295 WeakPolarHBondContact O-CG1 3.33Å; F291-I295 PolarHBondContact O-N 3.11Å; F291-L324 HydrophobicContact CD2-CD1 4.07Å; F291-L324 HydrophobicContact CE2-CD1 4.37Å; F291-C327 HydrophobicContact CD2-CB 3.6Å; F291-C327 HydrophobicContact CE2-CB 4.17Å; F291-C327 HydrophobicContact CG-CB 4.45Å; F291-I328 HydrophobicContact CE2-CG1 4.22Å; F291-M332 HydrophobicContact CB-CE 3.85Å; F291-M332 HydrophobicContact CB-SD 4.41Å; F291-M332 HydrophobicContact CD1-CB 4.25Å; F291-M332 HydrophobicContact CD1-CE 4Å; F291-M332 HydrophobicContact CD2-CB 4.16Å; F291-M332 HydrophobicContact CD2-SD 4.48Å; F291-M332 HydrophobicContact CE1-CB 3.96Å; F291-M332 HydrophobicContact CE2-CB 3.87Å; F291-M332 HydrophobicContact CG-CB 4.34Å; F291-M332 HydrophobicContact CG-CE 3.91Å; F291-M332 HydrophobicContact CG-SD 4.33Å; F291-M332 HydrophobicContact CZ-CB 3.76Å; F291-M332 WeakPolarHBondContact CZ-O 3.28Å; F291-S333 WeakPolarHBondContact CE1-O 3.38Å; F291-R334 HydrophobicContact CZ-CG 4.24Å; F291-V337 HydrophobicContact CD1-CG2 3.84Å; F291-V337 HydrophobicContact CE1-CG2 3.55Å
292	R	96.1	Very high	94.1	Very high	111 Å²	111	59.7 Å²	59.7	42%	0.419	30%	0.302	S	S	.	.	H	α-helix	trans	-54.9	-44.1	174	-170.2	-177.5	69.7	-165.7	0.5	112.8	Y279 K288 F290 Q296 V337	Y279-R292 HydrophobicContact CE2-CB 4.4Å; Y279-R292 WeakPolarHBondContact OH-CB 3.26Å; Y279-R292 WeakPolarHBondContact OH-CD 3.44Å; Y279-R292 WeakPolarHBondContact OH-CG 3.35Å; K288-R292 WeakPolarHBondContact O-CB 3.35Å; K288-R292 PolarHBondContact O-N 2.64Å; F290-R292 VanDerWaalsContact C-N 3.32Å; F290-R292 PolarHBondContact O-N 3.25Å; R292-Q296 HydrophobicContact CG-CG 4.24Å; R292-Q296 WeakPolarHBondContact O-CB 3.29Å; R292-Q296 VanDerWaalsContact O-CG 3.26Å; R292-Q296 WeakPolarHBondContact O-CG 3.46Å; R292-Q296 PolarHBondContact O-N 3.3Å; R292-V337 HydrophobicContact CG-CG1 4.06Å
293	R	95.8	Very high	94	Very high	125 Å²	125	60.1 Å²	60.1	47%	0.472	30%	0.304	S	S	.	.	H	α-helix	trans	-71.2	-36.4	-179.8	-76	-172.7	-57.4	-99.5	-1	112.7	G289 F290 F291 R297	G289-R293 WeakPolarHBondContact O-CG 3.21Å; G289-R293 VanDerWaalsContact O-CZ 3.32Å; G289-R293 PolarHBondContact O-N 3.14Å; G289-R293 PolarHBondContact O-NH1 2.88Å; F290-R293 PolarHBondContact O-N 3.17Å; F291-R293 VanDerWaalsContact C-N 3.32Å; F291-R293 PolarHBondContact O-N 3.04Å; R293-R297 WeakPolarHBondContact O-CB 3.48Å; R293-R297 PolarHBondContact O-N 2.93Å
294	A	95.3	Very high	93.8	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.008	35%	0.346	C	S	.	.	H	α-helix	trans	-61.9	-51.6	176	0	0	0	0	0	110.7	F290 F291 D298 Q299 Y301 L324	F290-A294 PolarHBondContact O-N 3.11Å; F291-A294 PolarHBondContact O-N 3.12Å; A294-D298 WeakPolarHBondContact O-CA 3.39Å; A294-D298 PolarHBondContact O-N 3.16Å; A294-D298 VanDerWaalsContact O-N 3.1Å; A294-Q299 PolarHBondContact O-N 3.24Å; A294-Y301 HydrophobicContact CB-CE2 4.01Å; A294-L324 HydrophobicContact CB-CD1 3.7Å; A294-L324 HydrophobicContact CB-CD2 4.15Å
295	I	93.6	Very high	93.4	Very high	37 Å²	37	72 Å²	72	19%	0.19	38%	0.376	C	S	.	.	H	α-helix	trans	-73.3	-35.1	-177.9	-54.4	-55.3	0	0	0	112.9	F291 R297 R334 V337	F291-I295 HydrophobicContact CD1-CG1 4.34Å; F291-I295 HydrophobicContact CD2-CG1 4.39Å; F291-I295 HydrophobicContact CE1-CG1 3.98Å; F291-I295 HydrophobicContact CE2-CD1 4.24Å; F291-I295 HydrophobicContact CE2-CG1 4.05Å; F291-I295 HydrophobicContact CZ-CD1 4.26Å; F291-I295 HydrophobicContact CZ-CG1 3.82Å; F291-I295 WeakPolarHBondContact O-CG1 3.33Å; F291-I295 PolarHBondContact O-N 3.11Å; I295-R297 VanDerWaalsContact C-N 3.27Å; I295-R297 PolarHBondContact O-N 3.39Å; I295-R334 HydrophobicContact CD1-CB 4.4Å; I295-R334 HydrophobicContact CD1-CG 3.83Å; I295-R334 HydrophobicContact CG1-CG 4.44Å; I295-R334 HydrophobicContact CG2-CB 4.35Å; I295-V337 HydrophobicContact CB-CB 4.2Å; I295-V337 HydrophobicContact CB-CG1 4.16Å; I295-V337 HydrophobicContact CB-CG2 4.14Å; I295-V337 HydrophobicContact CG1-CG2 4.3Å; I295-V337 HydrophobicContact CG2-CB 3.9Å; I295-V337 HydrophobicContact CG2-CG1 4.18Å; I295-V337 HydrophobicContact CG2-CG2 4.21Å
296	Q	90	Very high	93	Very high	88 Å²	88	74.7 Å²	74.7	41%	0.411	39%	0.393	S	S	.	.	H	α-helix	trans	-77.1	-6.4	179.4	-71.4	-173.1	-35.3	0	0	115	R292 V337 R338	R292-Q296 HydrophobicContact CG-CG 4.24Å; R292-Q296 WeakPolarHBondContact O-CB 3.29Å; R292-Q296 VanDerWaalsContact O-CG 3.26Å; R292-Q296 WeakPolarHBondContact O-CG 3.46Å; R292-Q296 PolarHBondContact O-N 3.3Å; Q296-V337 HydrophobicContact CG-CG1 3.55Å; Q296-R338 PolarHBondContact NE2-O 2.86Å
297	R	88.8	Confident	92.6	Very high	171 Å²	171	74.9 Å²	74.9	65%	0.645	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	16.8	178.3	-61.9	177.3	170.2	-167.8	-5.9	112	R293 I295 Q299	R293-R297 WeakPolarHBondContact O-CB 3.48Å; R293-R297 PolarHBondContact O-N 2.93Å; I295-R297 VanDerWaalsContact C-N 3.27Å; I295-R297 PolarHBondContact O-N 3.39Å; R297-Q299 VanDerWaalsContact C-N 3.31Å; R297-Q299 HydrophobicContact CB-CG 3.78Å; R297-Q299 PolarHBondContact O-N 3.16Å; R297-Q299 VanDerWaalsContact O-N 3.14Å; R297-Q299 PolarHBondContact O-NE2 2.95Å
298	D	84.7	Confident	92.4	Very high	138 Å²	138	80.5 Å²	80.5	74%	0.738	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	29.8	60.1	-171.8	-145.7	21.6	0	0	0	115	A294 S300	A294-D298 WeakPolarHBondContact O-CA 3.39Å; A294-D298 PolarHBondContact O-N 3.16Å; A294-D298 VanDerWaalsContact O-N 3.1Å; D298-S300 PolarHBondContact O-N 3.1Å
299	Q	85.8	Confident	92.3	Very high	72 Å²	72	79.8 Å²	79.8	34%	0.336	43%	0.43	S	S	.	.			trans	-80.9	107	-169.6	-58.5	-77	-102.2	0	0	111.2	A294 R297 Y301	A294-Q299 PolarHBondContact O-N 3.24Å; R297-Q299 VanDerWaalsContact C-N 3.31Å; R297-Q299 HydrophobicContact CB-CG 3.78Å; R297-Q299 PolarHBondContact O-N 3.16Å; R297-Q299 VanDerWaalsContact O-N 3.14Å; R297-Q299 PolarHBondContact O-NE2 2.95Å; Q299-Y301 HydrophobicContact CB-CE1 3.94Å; Q299-Y301 HydrophobicContact CB-CE2 3.85Å
300	S	85.8	Confident	92.3	Very high	117 Å²	117	85.2 Å²	85.2	82%	0.818	45%	0.452	S	S	*	.			trans	-64.1	140.3	156.6	53.9	0	0	0	0	109.9	D298	D298-S300 PolarHBondContact O-N 3.1Å
301	Y	92.6	Very high	92.2	Very high	35 Å²	35	86 Å²	86	14%	0.137	46%	0.456	C	S	.	.			trans	-135.1	133.4	175.4	-62.5	-63.2	0	0	0	109	F290 A294 Q299 Q320 Q321 L324	F290-Y301 HydrophobicContact CE2-CE2 4.01Å; F290-Y301 HydrophobicContact CZ-CD2 4.43Å; F290-Y301 AromaticContact CZ-CE2 3.79Å; F290-Y301 HydrophobicContact CZ-CE2 3.79Å; A294-Y301 HydrophobicContact CB-CE2 4.01Å; Q299-Y301 HydrophobicContact CB-CE1 3.94Å; Q299-Y301 HydrophobicContact CB-CE2 3.85Å; Y301-Q320 HydrophobicContact CD1-CB 3.53Å; Y301-Q320 HydrophobicContact CD1-CG 4.28Å; Y301-Q320 HydrophobicContact CD2-CB 3.9Å; Y301-Q320 HydrophobicContact CE1-CB 3.83Å; Y301-Q320 HydrophobicContact CE1-CG 4.22Å; Y301-Q320 HydrophobicContact CE2-CB 4.18Å; Y301-Q320 HydrophobicContact CG-CB 3.57Å; Y301-Q321 VanDerWaalsContact O-CB 3.29Å; Y301-Q321 WeakPolarHBondContact O-CB 3.41Å; Y301-Q321 WeakPolarHBondContact O-CG 3.47Å; Y301-Q321 PolarHBondContact O-NE2 2.98Å; Y301-Q321 PolarHBondContact O-OE1 3.39Å; Y301-L324 HydrophobicContact CD2-CB 4.28Å; Y301-L324 HydrophobicContact CD2-CD2 3.85Å; Y301-L324 HydrophobicContact CE2-CD2 4.04Å
302	T	91.5	Very high	92.2	Very high	137 Å²	137	87.8 Å²	87.8	84%	0.84	47%	0.466	S	S	*	.			trans	-91.9	147.2	173	-49.4	0	0	0	0	110.1
303	C	95.2	Very high	92.2	Very high	23 Å²	23	88.2 Å²	88.2	16%	0.155	47%	0.471	C	S	.	.			trans	-99	126.1	172	-173.3	0	0	0	0	109.5	K305 C309 C319 Q321 C322	C303-K305 WeakPolarHBondContact CB-O 3.36Å; C303-K305 PolarHBondContact O-N 2.95Å; C303-K305 PolarHBondContact SG-O 3.33Å; C303-C309 VanDerWaalsContact SG-SG 3.67Å; C303-C319 PolarHBondContact SG-SG 3.24Å; C303-Q321 HydrophobicContact CB-CB 4.21Å; C303-Q321 HydrophobicContact CB-CG 4.36Å; C303-C322 PolarHBondContact SG-SG 3.5Å
304	A	92	Very high	92.2	Very high	108 Å²	108	87.7 Å²	87.7	89%	0.893	48%	0.482	S	S	*	.	S	Bend	trans	-75.5	25.4	173.9	0	0	0	0	0	113.4
305	K	90.3	Very high	92.2	Very high	148 Å²	148	90.8 Å²	90.8	64%	0.643	50%	0.498	S	S	*	.	S	Bend	trans	-161.1	175.5	-177.6	-62.6	-163.6	-179.8	-165.4	0	108.3	C303 G307	C303-K305 WeakPolarHBondContact CB-O 3.36Å; C303-K305 PolarHBondContact O-N 2.95Å; C303-K305 PolarHBondContact SG-O 3.33Å; K305-G307 PolarHBondContact O-N 2.85Å
306	N	89.3	Confident	92.3	Very high	154 Å²	154	90.9 Å²	90.9	82%	0.824	50%	0.496	S	S	*	.	S	Bend	trans	-69.1	39.5	-175.9	-44.6	43.9	0	0	0	115.1	T308	N306-T308 PolarHBondContact O-N 2.9Å
307	G	89.8	Confident	92.6	Very high	37 Å²	37	92.5 Å²	92.5	38%	0.381	51%	0.508	S	S	.	.	S	Bend	trans	70.6	-4.7	176.7	0	0	0	0	0	116.8	K305 C322	K305-G307 PolarHBondContact O-N 2.85Å; G307-C322 PolarHBondContact O-SG 3.04Å
308	T	92.9	Very high	92.9	Very high	119 Å²	119	93 Å²	93	73%	0.73	51%	0.514	S	S	*	.			trans	-102.3	19.9	-167.6	47.5	0	0	0	0	115.6	N306 E310	N306-T308 PolarHBondContact O-N 2.9Å; T308-E310 PolarHBondContact O-N 3.45Å
309	C	96.4	Very high	93.5	Very high	34 Å²	34	86.9 Å²	86.9	23%	0.23	48%	0.482	C	S	.	.			trans	-63.6	131.2	-176.2	-62.5	0	0	0	0	113.1	C303 C319 C322	C303-C309 VanDerWaalsContact SG-SG 3.67Å; C309-C319 HydrophobicContact CB-CB 3.81Å; C309-C322 HydrophobicContact CB-CB 3.82Å; C309-C322 VanDerWaalsContact CB-SG 3.57Å; C309-C322 PolarHBondContact N-SG 3.39Å; C309-C322 VanDerWaalsContact N-SG 3.39Å
310	E	95.6	Very high	94.1	Very high	125 Å²	125	88.4 Å²	88.4	58%	0.584	49%	0.489	S	S	*	.			trans	-63.3	134	177.2	-161.1	-148.6	140.8	0	0	112.2	T308 N312	T308-E310 PolarHBondContact O-N 3.45Å; E310-N312 WeakPolarHBondContact OE1-CB 3.22Å; E310-N312 PolarHBondContact OE1-ND2 3.37Å
311	I	97.5	Very high	94.6	Very high	25 Å²	25	85.4 Å²	85.4	13%	0.128	46%	0.462	C	S	.	.			trans	-114.6	96.6	-179.3	-52.2	-59.6	0	0	0	109.8	V269 C270 R316 C322 R323 K326	V269-I311 HydrophobicContact CG1-CG2 4.23Å; V269-I311 VanDerWaalsContact O-CG2 3.22Å; V269-I311 WeakPolarHBondContact O-CG2 3.23Å; C270-I311 WeakPolarHBondContact CA-O 3.46Å; C270-I311 HydrophobicContact CB-CG2 3.96Å; I311-R316 HydrophobicContact CG2-CB 3.93Å; I311-C322 HydrophobicContact CD1-CB 3.96Å; I311-C322 HydrophobicContact CG1-CB 4.44Å; I311-R323 HydrophobicContact CD1-CB 3.97Å; I311-R323 HydrophobicContact CG2-CG 4.25Å; I311-K326 HydrophobicContact CG1-CB 4.25Å
312	N	96.7	Very high	94.9	Very high	39 Å²	39	84 Å²	84	21%	0.209	46%	0.458	C	S	.	.			trans	-124.4	-177.6	173.7	70.8	37.2	0	0	0	111.1	C270 E310 T314 L315 R316	C270-N312 CarbonylContact O-C 3.19Å; C270-N312 VanDerWaalsContact O-C 3.25Å; C270-N312 WeakPolarHBondContact O-CA 3.11Å; E310-N312 WeakPolarHBondContact OE1-CB 3.22Å; E310-N312 PolarHBondContact OE1-ND2 3.37Å; N312-T314 VanDerWaalsContact C-N 3.28Å; N312-T314 PolarHBondContact O-N 3.47Å; N312-T314 PolarHBondContact OD1-N 3.01Å; N312-T314 PolarHBondContact OD1-OG1 2.93Å; N312-L315 PolarHBondContact O-N 3.42Å; N312-L315 WeakPolarHBondContact OD1-CB 3.43Å; N312-L315 PolarHBondContact OD1-N 3.14Å; N312-R316 WeakPolarHBondContact O-CB 3.36Å; N312-R316 WeakPolarHBondContact O-CG 3.48Å; N312-R316 PolarHBondContact O-N 2.92Å
313	K	96.1	Very high	95.2	Very high	120 Å²	120	78 Å²	78	52%	0.522	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-34.7	-173.4	-179.4	169.2	177.9	153.6	0	113.8	C270 D272 R316	C270-K313 PolarHBondContact O-N 3.06Å; D272-K313 HydrophobicContact CB-CB 4.48Å; D272-K313 HydrophobicContact CB-CD 4.19Å; D272-K313 HydrophobicContact CB-CG 4.2Å; D272-K313 WeakPolarHBondContact OD1-CD 3.06Å; D272-K313 WeakPolarHBondContact OD1-CE 2.9Å; D272-K313 IonicContact OD1-NZ 3.71Å; D272-K313 PolarHBondContact OD1-NZ 3.25Å; K313-R316 PolarHBondContact O-NE 3.17Å
314	T	96.2	Very high	95.3	Very high	114 Å²	114	77.8 Å²	77.8	70%	0.699	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-41.5	-179.6	54.3	0	0	0	0	111.9	N312	N312-T314 VanDerWaalsContact C-N 3.28Å; N312-T314 PolarHBondContact O-N 3.47Å; N312-T314 PolarHBondContact OD1-N 3.01Å; N312-T314 PolarHBondContact OD1-OG1 2.93Å
315	L	95.2	Very high	95.5	Very high	65 Å²	65	76.6 Å²	76.6	34%	0.34	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-83.1	-15.2	-174.8	-59.6	-174.3	0	0	0	114.7	N312 N317 K318	N312-L315 PolarHBondContact O-N 3.42Å; N312-L315 WeakPolarHBondContact OD1-CB 3.43Å; N312-L315 PolarHBondContact OD1-N 3.14Å; L315-N317 PolarHBondContact O-N 3.11Å; L315-K318 HydrophobicContact CD2-CG 4.32Å; L315-K318 WeakPolarHBondContact O-CB 3.27Å; L315-K318 PolarHBondContact O-N 3.14Å
316	R	96.2	Very high	95.9	Very high	39 Å²	39	74.1 Å²	74.1	15%	0.147	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-53.4	-16.4	-178.7	62.4	-177.5	179.3	-167.4	-7.6	116.1	C270 D272 C284 I311 N312 K313 R323	C270-R316 HydrophobicContact CB-CB 4.28Å; C270-R316 PolarHBondContact SG-NH1 3.29Å; D272-R316 IonicContact OD2-CZ 2.69Å; D272-R316 IonicContact OD2-NH1 3.08Å; D272-R316 PolarHBondContact OD2-NH1 2.88Å; D272-R316 IonicContact OD2-NH2 2.68Å; D272-R316 PolarHBondContact OD2-NH2 3.44Å; C284-R316 PolarHBondContact SG-NH1 2.89Å; I311-R316 HydrophobicContact CG2-CB 3.93Å; N312-R316 WeakPolarHBondContact O-CB 3.36Å; N312-R316 WeakPolarHBondContact O-CG 3.48Å; N312-R316 PolarHBondContact O-N 2.92Å; K313-R316 PolarHBondContact O-NE 3.17Å; R316-R323 VanDerWaalsContact O-CD 3.3Å; R316-R323 WeakPolarHBondContact O-CD 2.98Å; R316-R323 PolarHBondContact O-NH1 2.78Å
317	N	96.4	Very high	96.3	Very high	123 Å²	123	66.8 Å²	66.8	66%	0.658	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-94.9	-5.9	176.3	-69	-3.6	0	0	0	113.7	L315 R323	L315-N317 PolarHBondContact O-N 3.11Å; N317-R323 PolarHBondContact OD1-NH1 2.97Å
318	K	95.8	Very high	96.6	Very high	181 Å²	181	67.8 Å²	67.8	79%	0.787	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-26.8	-174.3	-68.1	-68.4	-171.7	174.9	0	114.5	L315	L315-K318 HydrophobicContact CD2-CG 4.32Å; L315-K318 WeakPolarHBondContact O-CB 3.27Å; L315-K318 PolarHBondContact O-N 3.14Å
319	C	97.1	Very high	96.8	Very high	10 Å²	10	66 Å²	66	7%	0.068	34%	0.339	C	S	.	.			trans	-138.9	120.5	169.8	-179.3	0	0	0	0	109.9	C303 C309 C322 R323	C303-C319 PolarHBondContact SG-SG 3.24Å; C309-C319 HydrophobicContact CB-CB 3.81Å; C319-C322 HydrophobicContact CB-CB 4.24Å; C319-C322 PolarHBondContact SG-N 3.47Å; C319-C322 PolarHBondContact SG-SG 3.5Å; C319-R323 WeakPolarHBondContact O-CB 3.33Å
320	Q	97	Very high	96.8	Very high	103 Å²	103	66.3 Å²	66.3	48%	0.481	34%	0.339	S	S	.	.	H	α-helix	trans	-75.1	-38.2	179.3	-68.1	171	-33.2	0	0	111.4	F290 Y301 R323 L324	F290-Q320 HydrophobicContact CE2-CB 4.23Å; F290-Q320 HydrophobicContact CE2-CG 4.3Å; F290-Q320 HydrophobicContact CZ-CB 4.41Å; F290-Q320 WeakPolarHBondContact CZ-O 3.15Å; Y301-Q320 HydrophobicContact CD1-CB 3.53Å; Y301-Q320 HydrophobicContact CD1-CG 4.28Å; Y301-Q320 HydrophobicContact CD2-CB 3.9Å; Y301-Q320 HydrophobicContact CE1-CB 3.83Å; Y301-Q320 HydrophobicContact CE1-CG 4.22Å; Y301-Q320 HydrophobicContact CE2-CB 4.18Å; Y301-Q320 HydrophobicContact CG-CB 3.57Å; Q320-R323 WeakPolarHBondContact O-CB 3.07Å; Q320-R323 PolarHBondContact O-N 3.09Å; Q320-L324 PolarHBondContact O-N 3.28Å
321	Q	97.4	Very high	96.8	Very high	54 Å²	54	62.6 Å²	62.6	25%	0.252	33%	0.334	S	S	.	.	H	α-helix	trans	-63.3	-54.3	-179.1	-178.1	57	-24.6	0	0	112.3	Y301 C303 R323 L324 L325	Y301-Q321 VanDerWaalsContact O-CB 3.29Å; Y301-Q321 WeakPolarHBondContact O-CB 3.41Å; Y301-Q321 WeakPolarHBondContact O-CG 3.47Å; Y301-Q321 PolarHBondContact O-NE2 2.98Å; Y301-Q321 PolarHBondContact O-OE1 3.39Å; C303-Q321 HydrophobicContact CB-CB 4.21Å; C303-Q321 HydrophobicContact CB-CG 4.36Å; Q321-R323 PolarHBondContact O-N 2.98Å; Q321-R323 VanDerWaalsContact O-N 3.17Å; Q321-L324 PolarHBondContact O-N 2.97Å; Q321-L325 HydrophobicContact CG-CD1 4.03Å; Q321-L325 HydrophobicContact CG-CG 4.48Å; Q321-L325 WeakPolarHBondContact O-CG 3.48Å; Q321-L325 PolarHBondContact O-N 2.95Å
322	C	97.7	Very high	96.8	Very high	7 Å²	7	61.6 Å²	61.6	5%	0.047	33%	0.329	C	S	.	.	H	α-helix	trans	-59	-32	177.5	-58.2	0	0	0	0	112.2	C303 G307 C309 I311 C319 K326	C303-C322 PolarHBondContact SG-SG 3.5Å; G307-C322 PolarHBondContact O-SG 3.04Å; C309-C322 HydrophobicContact CB-CB 3.82Å; C309-C322 VanDerWaalsContact CB-SG 3.57Å; C309-C322 PolarHBondContact N-SG 3.39Å; C309-C322 VanDerWaalsContact N-SG 3.39Å; I311-C322 HydrophobicContact CD1-CB 3.96Å; I311-C322 HydrophobicContact CG1-CB 4.44Å; C319-C322 HydrophobicContact CB-CB 4.24Å; C319-C322 PolarHBondContact SG-N 3.47Å; C319-C322 PolarHBondContact SG-SG 3.5Å; C322-K326 VanDerWaalsContact O-CB 3.23Å; C322-K326 WeakPolarHBondContact O-CB 3.2Å; C322-K326 PolarHBondContact O-N 2.76Å
323	R	98.2	Very high	96.6	Very high	11 Å²	11	61.7 Å²	61.7	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-69.8	-41.2	174	-169.1	-167.2	-171.4	148.4	-10.7	112.4	G286 F290 I311 R316 N317 C319 Q320 Q321 K326 C327	G286-R323 PolarHBondContact O-NH2 3.47Å; F290-R323 VanDerWaalsContact CD1-CD 3.49Å; F290-R323 HydrophobicContact CD1-CG 3.93Å; F290-R323 HydrophobicContact CE1-CB 4Å; F290-R323 HydrophobicContact CE1-CG 3.75Å; F290-R323 HydrophobicContact CZ-CB 4.13Å; F290-R323 HydrophobicContact CZ-CG 4.24Å; I311-R323 HydrophobicContact CD1-CB 3.97Å; I311-R323 HydrophobicContact CG2-CG 4.25Å; R316-R323 VanDerWaalsContact O-CD 3.3Å; R316-R323 WeakPolarHBondContact O-CD 2.98Å; R316-R323 PolarHBondContact O-NH1 2.78Å; N317-R323 PolarHBondContact OD1-NH1 2.97Å; C319-R323 WeakPolarHBondContact O-CB 3.33Å; Q320-R323 WeakPolarHBondContact O-CB 3.07Å; Q320-R323 PolarHBondContact O-N 3.09Å; Q321-R323 PolarHBondContact O-N 2.98Å; Q321-R323 VanDerWaalsContact O-N 3.17Å; R323-K326 PolarHBondContact O-N 2.97Å; R323-C327 PolarHBondContact O-N 3.35Å; R323-C327 PolarHBondContact O-SG 3.39Å
324	L	97.6	Very high	96.4	Very high	17 Å²	17	62.6 Å²	62.6	9%	0.089	33%	0.333	C	S	.	.	H	α-helix	trans	-67.1	-47	177.4	-177	58.4	0	0	0	111	F290 F291 A294 Y301 Q320 Q321 K326 C327 I328	F290-L324 HydrophobicContact CE1-CB 3.96Å; F290-L324 HydrophobicContact CE1-CD1 4.31Å; F290-L324 HydrophobicContact CZ-CB 4.05Å; F291-L324 HydrophobicContact CD2-CD1 4.07Å; F291-L324 HydrophobicContact CE2-CD1 4.37Å; A294-L324 HydrophobicContact CB-CD1 3.7Å; A294-L324 HydrophobicContact CB-CD2 4.15Å; Y301-L324 HydrophobicContact CD2-CB 4.28Å; Y301-L324 HydrophobicContact CD2-CD2 3.85Å; Y301-L324 HydrophobicContact CE2-CD2 4.04Å; Q320-L324 PolarHBondContact O-N 3.28Å; Q321-L324 PolarHBondContact O-N 2.97Å; L324-K326 VanDerWaalsContact C-N 3.31Å; L324-K326 PolarHBondContact O-N 3.16Å; L324-C327 WeakPolarHBondContact O-CB 3.36Å; L324-C327 PolarHBondContact O-N 3.11Å; L324-C327 VanDerWaalsContact O-N 3.11Å; L324-I328 HydrophobicContact CD1-CD1 4.34Å; L324-I328 HydrophobicContact CG-CD1 4.11Å; L324-I328 WeakPolarHBondContact O-CG1 3.46Å; L324-I328 PolarHBondContact O-N 3.34Å
325	L	96.5	Very high	96	Very high	83 Å²	83	63.9 Å²	63.9	44%	0.435	34%	0.336	S	S	.	.	H	α-helix	trans	-56	-45	171.9	-65.8	174.1	0	0	0	111	Q321 C327 I328 A329	Q321-L325 HydrophobicContact CG-CD1 4.03Å; Q321-L325 HydrophobicContact CG-CG 4.48Å; Q321-L325 WeakPolarHBondContact O-CG 3.48Å; Q321-L325 PolarHBondContact O-N 2.95Å; L325-C327 PolarHBondContact O-N 2.91Å; L325-I328 PolarHBondContact O-N 3Å; L325-A329 VanDerWaalsContact O-CB 3.26Å; L325-A329 WeakPolarHBondContact O-CB 3.24Å; L325-A329 PolarHBondContact O-N 3.28Å
326	K	97.6	Very high	95.6	Very high	96 Å²	96	63.2 Å²	63.2	42%	0.417	34%	0.34	S	S	.	.	H	α-helix	trans	-65.5	-34.3	176	-168.1	63.1	174.2	-176.9	0	113.3	V269 I311 C322 R323 L324 V330	V269-K326 HydrophobicContact CG1-CG 4.29Å; I311-K326 HydrophobicContact CG1-CB 4.25Å; C322-K326 VanDerWaalsContact O-CB 3.23Å; C322-K326 WeakPolarHBondContact O-CB 3.2Å; C322-K326 PolarHBondContact O-N 2.76Å; R323-K326 PolarHBondContact O-N 2.97Å; L324-K326 VanDerWaalsContact C-N 3.31Å; L324-K326 PolarHBondContact O-N 3.16Å; K326-V330 WeakPolarHBondContact O-CG1 3.41Å; K326-V330 WeakPolarHBondContact O-CG2 3.29Å; K326-V330 PolarHBondContact O-N 3.45Å
327	C	98	Very high	95.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.7	-44.5	172.8	-68.9	0	0	0	0	111.7	F291 R323 L324 L325 V330 M332	F291-C327 HydrophobicContact CD2-CB 3.6Å; F291-C327 HydrophobicContact CE2-CB 4.17Å; F291-C327 HydrophobicContact CG-CB 4.45Å; R323-C327 PolarHBondContact O-N 3.35Å; R323-C327 PolarHBondContact O-SG 3.39Å; L324-C327 WeakPolarHBondContact O-CB 3.36Å; L324-C327 PolarHBondContact O-N 3.11Å; L324-C327 VanDerWaalsContact O-N 3.11Å; L325-C327 PolarHBondContact O-N 2.91Å; C327-V330 VanDerWaalsContact O-CG2 3.31Å; C327-V330 WeakPolarHBondContact O-CG2 3.14Å; C327-M332 HydrophobicContact CB-CG 4.4Å; C327-M332 HydrophobicContact CB-SD 3.65Å; C327-M332 VanDerWaalsContact O-CB 3.26Å; C327-M332 WeakPolarHBondContact O-CB 3.38Å; C327-M332 VanDerWaalsContact O-CG 3.28Å; C327-M332 WeakPolarHBondContact O-CG 3.22Å; C327-M332 PolarHBondContact O-N 3.42Å; C327-M332 VanDerWaalsContact O-N 3.11Å
328	I	96.2	Very high	94.4	Very high	59 Å²	59	66.1 Å²	66.1	30%	0.303	34%	0.342	S	S	.	.	H	α-helix	trans	-66.8	-46.1	178.2	-63.5	159.7	0	0	0	110.2	F291 L324 L325 V330 G331	F291-I328 HydrophobicContact CE2-CG1 4.22Å; L324-I328 HydrophobicContact CD1-CD1 4.34Å; L324-I328 HydrophobicContact CG-CD1 4.11Å; L324-I328 WeakPolarHBondContact O-CG1 3.46Å; L324-I328 PolarHBondContact O-N 3.34Å; L325-I328 PolarHBondContact O-N 3Å; I328-V330 VanDerWaalsContact C-N 3.26Å; I328-V330 PolarHBondContact O-N 2.76Å; I328-G331 WeakPolarHBondContact O-CA 3.4Å; I328-G331 PolarHBondContact O-N 3.27Å
329	A	96.8	Very high	93.1	Very high	82 Å²	82	65.8 Å²	65.8	68%	0.678	34%	0.341	S	S	*	.	H	α-helix	trans	-65.8	-20.1	-177.4	0	0	0	0	0	114.8	L325	L325-A329 VanDerWaalsContact O-CB 3.26Å; L325-A329 WeakPolarHBondContact O-CB 3.24Å; L325-A329 PolarHBondContact O-N 3.28Å
330	V	96.9	Very high	91.2	Very high	39 Å²	39	76.1 Å²	76.1	24%	0.236	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	1.5	170.2	-58.1	0	0	0	0	113.5	V268 V269 V281 K326 C327 I328 M332	V268-V330 HydrophobicContact CG2-CB 3.81Å; V268-V330 HydrophobicContact CG2-CG1 4.01Å; V268-V330 HydrophobicContact CG2-CG2 3.91Å; V269-V330 HydrophobicContact CG2-CG2 3.65Å; V281-V330 HydrophobicContact CB-CG2 4.49Å; V281-V330 HydrophobicContact CG1-CG2 4.36Å; V281-V330 WeakPolarHBondContact CG2-O 3.4Å; K326-V330 WeakPolarHBondContact O-CG1 3.41Å; K326-V330 WeakPolarHBondContact O-CG2 3.29Å; K326-V330 PolarHBondContact O-N 3.45Å; C327-V330 VanDerWaalsContact O-CG2 3.31Å; C327-V330 WeakPolarHBondContact O-CG2 3.14Å; I328-V330 VanDerWaalsContact C-N 3.26Å; I328-V330 PolarHBondContact O-N 2.76Å; V330-M332 HydrophobicContact CG2-CG 4.14Å
331	G	95.9	Very high	89.1	Confident	47 Å²	47	82.7 Å²	82.7	49%	0.485	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	22.2	175.4	0	0	0	0	0	116.2	V281 I328 S333	V281-G331 VanDerWaalsContact CG2-O 3.31Å; V281-G331 WeakPolarHBondContact CG2-O 3.34Å; I328-G331 WeakPolarHBondContact O-CA 3.4Å; I328-G331 PolarHBondContact O-N 3.27Å; G331-S333 PolarHBondContact O-N 2.98Å; G331-S333 VanDerWaalsContact O-N 3.14Å
332	M	97.4	Very high	86.9	Confident	5 Å²	5	89.4 Å²	89.4	3%	0.025	43%	0.43	C	S	.	.			trans	-69.4	110.6	174.9	-62.9	-175.5	74.8	0	0	110.3	V269 Y279 V281 T283 F291 C327 V330 R334	V269-M332 HydrophobicContact CG2-SD 3.98Å; Y279-M332 HydrophobicContact CD2-CE 3.75Å; Y279-M332 WeakPolarHBondContact O-CA 3.01Å; V281-M332 HydrophobicContact CB-CG 3.96Å; V281-M332 HydrophobicContact CG2-CB 4.5Å; V281-M332 HydrophobicContact CG2-CG 3.83Å; T283-M332 HydrophobicContact CG2-CE 4.19Å; T283-M332 HydrophobicContact CG2-SD 3.97Å; F291-M332 HydrophobicContact CB-CE 3.85Å; F291-M332 HydrophobicContact CB-SD 4.41Å; F291-M332 HydrophobicContact CD1-CB 4.25Å; F291-M332 HydrophobicContact CD1-CE 4Å; F291-M332 HydrophobicContact CD2-CB 4.16Å; F291-M332 HydrophobicContact CD2-SD 4.48Å; F291-M332 HydrophobicContact CE1-CB 3.96Å; F291-M332 HydrophobicContact CE2-CB 3.87Å; F291-M332 HydrophobicContact CG-CB 4.34Å; F291-M332 HydrophobicContact CG-CE 3.91Å; F291-M332 HydrophobicContact CG-SD 4.33Å; F291-M332 HydrophobicContact CZ-CB 3.76Å; F291-M332 WeakPolarHBondContact CZ-O 3.28Å; C327-M332 HydrophobicContact CB-CG 4.4Å; C327-M332 HydrophobicContact CB-SD 3.65Å; C327-M332 VanDerWaalsContact O-CB 3.26Å; C327-M332 WeakPolarHBondContact O-CB 3.38Å; C327-M332 VanDerWaalsContact O-CG 3.28Å; C327-M332 WeakPolarHBondContact O-CG 3.22Å; C327-M332 PolarHBondContact O-N 3.42Å; C327-M332 VanDerWaalsContact O-N 3.11Å; V330-M332 HydrophobicContact CG2-CG 4.14Å; M332-R334 PolarHBondContact O-N 3.17Å
333	S	92.1	Very high	84.4	Confident	40 Å²	40	92.4 Å²	92.4	28%	0.28	46%	0.462	S	S	.	.			trans	-67.8	127.3	-178.2	159.1	0	0	0	0	111.4	Y279 F291 G331 D335 A336	Y279-S333 PolarHBondContact O-N 3.29Å; F291-S333 WeakPolarHBondContact CE1-O 3.38Å; G331-S333 PolarHBondContact O-N 2.98Å; G331-S333 VanDerWaalsContact O-N 3.14Å; S333-D335 VanDerWaalsContact C-N 3.33Å; S333-D335 PolarHBondContact OG-N 3.17Å; S333-D335 PolarHBondContact OG-OD2 3.21Å; S333-A336 PolarHBondContact OG-N 3.41Å; S333-A336 VanDerWaalsContact OG-N 3.16Å
334	R	91.5	Very high	81.6	Confident	139 Å²	139	101.8 Å²	101.8	53%	0.525	50%	0.503	S	S	.	.	S	Bend	trans	-65.5	-38.9	173.5	-60.5	-174.1	-179.2	-175.1	0.9	110.9	F291 I295 M332 A336 V337	F291-R334 HydrophobicContact CZ-CG 4.24Å; I295-R334 HydrophobicContact CD1-CB 4.4Å; I295-R334 HydrophobicContact CD1-CG 3.83Å; I295-R334 HydrophobicContact CG1-CG 4.44Å; I295-R334 HydrophobicContact CG2-CB 4.35Å; M332-R334 PolarHBondContact O-N 3.17Å; R334-A336 VanDerWaalsContact C-N 3.32Å; R334-A336 PolarHBondContact O-N 3.49Å; R334-V337 WeakPolarHBondContact O-CA 3.47Å; R334-V337 WeakPolarHBondContact O-CB 3.16Å; R334-V337 WeakPolarHBondContact O-CG2 3.29Å; R334-V337 PolarHBondContact O-N 3.43Å
335	D	88	Confident	78.9	Confident	142 Å²	142	108.4 Å²	108.4	76%	0.759	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-32.1	-173.4	-28.2	-77.6	0	0	0	112.1	S333 V337	S333-D335 VanDerWaalsContact C-N 3.33Å; S333-D335 PolarHBondContact OG-N 3.17Å; S333-D335 PolarHBondContact OG-OD2 3.21Å; D335-V337 PolarHBondContact O-N 2.57Å; D335-V337 VanDerWaalsContact O-N 3.16Å
336	A	87.9	Confident	76.1	Confident	51 Å²	51	116.5 Å²	116.5	42%	0.421	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.1	-13.5	171.2	0	0	0	0	0	113.1	Y279 S333 R334 R338	Y279-A336 HydrophobicContact CD1-CB 3.8Å; S333-A336 PolarHBondContact OG-N 3.41Å; S333-A336 VanDerWaalsContact OG-N 3.16Å; R334-A336 VanDerWaalsContact C-N 3.32Å; R334-A336 PolarHBondContact O-N 3.49Å; A336-R338 PolarHBondContact O-N 3.25Å
337	V	86.7	Confident	73.3	Confident	8 Å²	8	118.5 Å²	118.5	5%	0.048	57%	0.567	C	S	.	*	S	Bend	trans	-87.8	84.9	173.1	-168.8	0	0	0	0	110.1	Y279 F291 R292 I295 Q296 R334 D335 K339	Y279-V337 HydrophobicContact CD1-CG2 3.66Å; Y279-V337 HydrophobicContact CE1-CB 4.29Å; Y279-V337 HydrophobicContact CE1-CG2 3.64Å; Y279-V337 HydrophobicContact CG-CG2 4.21Å; F291-V337 HydrophobicContact CD1-CG2 3.84Å; F291-V337 HydrophobicContact CE1-CG2 3.55Å; R292-V337 HydrophobicContact CG-CG1 4.06Å; I295-V337 HydrophobicContact CB-CB 4.2Å; I295-V337 HydrophobicContact CB-CG1 4.16Å; I295-V337 HydrophobicContact CB-CG2 4.14Å; I295-V337 HydrophobicContact CG1-CG2 4.3Å; I295-V337 HydrophobicContact CG2-CB 3.9Å; I295-V337 HydrophobicContact CG2-CG1 4.18Å; I295-V337 HydrophobicContact CG2-CG2 4.21Å; Q296-V337 HydrophobicContact CG-CG1 3.55Å; R334-V337 WeakPolarHBondContact O-CA 3.47Å; R334-V337 WeakPolarHBondContact O-CB 3.16Å; R334-V337 WeakPolarHBondContact O-CG2 3.29Å; R334-V337 PolarHBondContact O-N 3.43Å; D335-V337 PolarHBondContact O-N 2.57Å; D335-V337 VanDerWaalsContact O-N 3.16Å; V337-K339 PolarHBondContact O-N 3.3Å; V337-K339 VanDerWaalsContact O-N 3.12Å
338	R	80.4	Confident	70.5	Confident	215 Å²	215	127.6 Å²	127.6	81%	0.811	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-48.6	119.5	176.4	-64.7	177.6	178.3	162.1	-0.4	111.6	Q296 A336	Q296-R338 PolarHBondContact NE2-O 2.86Å; A336-R338 PolarHBondContact O-N 3.25Å
339	K	68.7	Low	67.5	Low	173 Å²	173	130.9 Å²	130.9	75%	0.752	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-54.4	139.8	166.9	-73.1	-166.6	177.5	-173.4	0	108.4	V337 R341 D636	V337-K339 PolarHBondContact O-N 3.3Å; V337-K339 VanDerWaalsContact O-N 3.12Å; K339-R341 PolarHBondContact O-N 3.28Å; K339-D636 IonicContact NZ-OD2 2.71Å
340	R	57.3	Low	64.5	Low	227 Å²	227	132.4 Å²	132.4	86%	0.857	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-69.8	120.1	-172.8	-167.3	-178.2	-170.6	-166.1	2.9	109.4	Q342	R340-Q342 PolarHBondContact O-N 2.74Å
341	R	52.1	Low	61.5	Low	242 Å²	242	136.3 Å²	136.3	91%	0.913	67%	0.671	S	S	*	*			trans	-56.1	115.5	167.4	-74.6	-177.1	176.3	172.8	-2.7	108.1	K339 G343	K339-R341 PolarHBondContact O-N 3.28Å; R341-G343 PolarHBondContact O-N 3.42Å; R341-G343 VanDerWaalsContact O-N 3.13Å
342	Q	52	Low	58.5	Low	195 Å²	195	142.1 Å²	142.1	91%	0.911	69%	0.685	S	S	*	*			trans	-68	108.3	168.6	-66.2	-175.5	4.6	0	0	107.3	R340 K344	R340-Q342 PolarHBondContact O-N 2.74Å; Q342-K344 PolarHBondContact O-N 2.83Å
343	G	43.7	Very low	55.7	Low	69 Å²	69	147.6 Å²	147.6	71%	0.711	72%	0.724	S	S	*	*			trans	-71.7	124.6	172.9	0	0	0	0	0	108.9	R341 K345	R341-G343 PolarHBondContact O-N 3.42Å; R341-G343 VanDerWaalsContact O-N 3.13Å; G343-K345 PolarHBondContact O-N 3.48Å
344	K	39.9	Very low	53.3	Low	209 Å²	209	151.8 Å²	151.8	91%	0.909	75%	0.748	S	S	*	*			trans	-54.2	115.9	168.9	-73	-174	174	-175.4	0	108.3	Q342 R346	Q342-K344 PolarHBondContact O-N 2.83Å; K344-R346 PolarHBondContact O-N 2.87Å
345	K	41.4	Very low	50.7	Low	156 Å²	156	152.1 Å²	152.1	68%	0.678	77%	0.765	S	S	*	*			trans	-57.9	124.7	168.9	-85.1	178.6	105.5	-159.3	0	107.7	G343 E347	G343-K345 PolarHBondContact O-N 3.48Å; K345-E347 HydrophobicContact CB-CB 4.34Å; K345-E347 WeakPolarHBondContact CD-OE2 3.47Å; K345-E347 WeakPolarHBondContact CE-OE1 3.15Å; K345-E347 WeakPolarHBondContact CE-OE2 3.49Å; K345-E347 IonicContact NZ-OE1 2.84Å; K345-E347 PolarHBondContact NZ-OE1 3.1Å; K345-E347 IonicContact NZ-OE2 2.94Å; K345-E347 PolarHBondContact NZ-OE2 2.9Å; K345-E347 PolarHBondContact O-N 3.03Å
346	R	37	Very low	48.3	Very low	253 Å²	253	152.1 Å²	152.1	96%	0.955	77%	0.765	S	S	*	*			trans	-79.4	106.9	159.8	-86.1	-179.8	160.8	-178.9	-7	106.3	K344	K344-R346 PolarHBondContact O-N 2.87Å
347	E	39.4	Very low	45.9	Very low	138 Å²	138	155.1 Å²	155.1	65%	0.645	78%	0.78	S	S	*	*			trans	-141.9	51.8	-173.6	-157	152.3	-126.4	0	0	110.9	K345	K345-E347 HydrophobicContact CB-CB 4.34Å; K345-E347 WeakPolarHBondContact CD-OE2 3.47Å; K345-E347 WeakPolarHBondContact CE-OE1 3.15Å; K345-E347 WeakPolarHBondContact CE-OE2 3.49Å; K345-E347 IonicContact NZ-OE1 2.84Å; K345-E347 PolarHBondContact NZ-OE1 3.1Å; K345-E347 IonicContact NZ-OE2 2.94Å; K345-E347 PolarHBondContact NZ-OE2 2.9Å; K345-E347 PolarHBondContact O-N 3.03Å
348	Q	38.6	Very low	43.6	Very low	190 Å²	190	159.9 Å²	159.9	89%	0.888	81%	0.814	S	S	*	*			trans	-158.9	94.5	171.5	-106.2	174	3.1	0	0	108.8
349	S	33.6	Very low	41.9	Very low	128 Å²	128	155.3 Å²	155.3	90%	0.895	81%	0.814	S	S	*	*			trans	171.1	79.2	159.4	34.4	0	0	0	0	111.2
350	S	34.8	Very low	40.5	Very low	115 Å²	115	154.8 Å²	154.8	80%	0.804	82%	0.82	S	S	*	*			trans	-150	149.5	161.8	52.5	0	0	0	0	108.4
351	C	33.8	Very low	39.7	Very low	121 Å²	121	150 Å²	150	82%	0.818	82%	0.821	S	S	*	*			trans	66.4	134.9	-166.5	170.4	0	0	0	0	114.5
352	E	32.3	Very low	39.2	Very low	168 Å²	168	143.5 Å²	143.5	79%	0.785	81%	0.813	S	S	*	*			cis	-165.1	128.9	-22.9	-169.7	157.9	-175.1	0	0	110.1
353	S	39.2	Very low	38.8	Very low	121 Å²	121	142.5 Å²	142.5	85%	0.846	81%	0.814	S	S	*	*			trans	178.9	145.7	156.3	38.8	0	0	0	0	110.5
354	V	40.3	Very low	38.6	Very low	127 Å²	127	147.3 Å²	147.3	77%	0.77	82%	0.815	S	S	*	*			trans	-121.4	128.5	-168.6	174.8	0	0	0	0	111.7
355	T	37.3	Very low	38.4	Very low	146 Å²	146	146.5 Å²	146.5	90%	0.896	81%	0.808	S	S	*	*			trans	-149.3	139.9	151.8	-39	0	0	0	0	111.1
356	L	38.4	Very low	38.1	Very low	143 Å²	143	147.7 Å²	147.7	75%	0.749	82%	0.816	S	S	*	*			trans	-84.5	173.6	178.9	-83.1	162.2	0	0	0	110.8
357	P	37.9	Very low	38.1	Very low	114 Å²	114	139.5 Å²	139.5	74%	0.74	81%	0.81	S	S	*	*			cis	-150.2	158.4	33.3	41.7	-19.8	0	0	0	121.7
358	S	38.4	Very low	38	Very low	108 Å²	108	137.7 Å²	137.7	76%	0.755	81%	0.812	S	S	*	*			trans	43	124.4	134.6	-48.6	0	0	0	0	124.1
359	S	43.8	Very low	38	Very low	118 Å²	118	132.7 Å²	132.7	83%	0.825	80%	0.804	S	S	*	*				-163.2	137.6	116.6	60.9	0	0	0	0	111.5
360	D	39.7	Very low	38.1	Very low	162 Å²	162	136 Å²	136	87%	0.866	80%	0.798	S	S	*	*			trans	-70	166.7	-173	-75.8	-73.3	0	0	0	116.3
361	S	40.3	Very low	38.2	Very low	127 Å²	127	136.6 Å²	136.6	89%	0.888	80%	0.802	S	S	*	*			trans	-142.9	113.9	163.7	-75	0	0	0	0	110.1
362	S	41.8	Very low	38.5	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	80%	0.798	S	S	*	*			trans	-121.2	124.7	-175.5	58.8	0	0	0	0	111.9
363	N	44	Very low	38.5	Very low	174 Å²	174	133 Å²	133	93%	0.93	80%	0.796	S	S	*	*			trans	-160.1	153.1	138.2	-104.5	-36	0	0	0	112.9
364	K	39.8	Very low	38.3	Very low	170 Å²	170	132.6 Å²	132.6	74%	0.739	79%	0.793	S	S	*	*			trans	-107.8	147.3	-160.8	-83.8	176.8	168.8	-177.6	0	113.2
365	Y	35.2	Very low	38.1	Very low	193 Å²	193	131.4 Å²	131.4	76%	0.757	80%	0.796	S	S	*	*			trans	56.4	163.9	149.9	-56.6	-51.5	0	0	0	117
366	E	35.4	Very low	37.8	Very low	181 Å²	181	132 Å²	132	85%	0.846	79%	0.793	S	S	*	*			cis	-154.1	164	2.2	-140.9	156.5	-131.2	0	0	109.8
367	G	36	Very low	37.7	Very low	81 Å²	81	131 Å²	131	84%	0.835	79%	0.793	S	S	*	*			trans	149.2	120.8	169.2	0	0	0	0	0	115.4
368	S	37	Very low	37.4	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	80%	0.798	S	S	*	*			trans	-113.4	142.9	-170.9	165.2	0	0	0	0	114.1
369	A	38.4	Very low	37.1	Very low	85 Å²	85	134.2 Å²	134.2	70%	0.702	80%	0.799	S	S	*	*			trans	-156.7	65.5	164.4	0	0	0	0	0	114.6
370	Y	36.6	Very low	36.5	Very low	199 Å²	199	134.5 Å²	134.5	78%	0.78	80%	0.797	S	S	*	*			trans	11.1	122.6	146.7	31.1	-101.2	0	0	0	121.4
371	S	37.2	Very low	36.2	Very low	126 Å²	126	132 Å²	132	88%	0.881	79%	0.789	S	S	*	*				-165.9	156.8	120.4	-160.5	0	0	0	0	112.2
372	S	39.4	Very low	35.9	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	79%	0.788	S	S	*	*			trans	-98.3	171.7	-175.4	64.2	0	0	0	0	112.4
373	C	32.6	Very low	35.3	Very low	110 Å²	110	137 Å²	137	74%	0.743	80%	0.797	S	S	*	*			cis	-147.6	158.9	14.4	47.8	0	0	0	0	109.1
374	S	33.8	Very low	34.9	Very low	112 Å²	112	132.9 Å²	132.9	78%	0.783	79%	0.787	S	S	*	*			cis	90.8	92.6	24.8	-54.5	0	0	0	0	115.9
375	A	36.7	Very low	34.7	Very low	101 Å²	101	132.9 Å²	132.9	84%	0.835	79%	0.79	S	S	*	*			trans	-167.7	95.3	151.3	0	0	0	0	0	111.1
376	D	32.1	Very low	34.7	Very low	158 Å²	158	130.1 Å²	130.1	85%	0.845	79%	0.787	S	S	*	*			trans	-84.9	143.1	170.7	-68.1	-74.1	0	0	0	111.5
377	V	35	Very low	34.5	Very low	123 Å²	123	127.5 Å²	127.5	75%	0.745	78%	0.779	S	S	*	*			trans	-136.6	109.9	163.6	179.3	0	0	0	0	109.4	L379	V377-L379 HydrophobicContact CG1-CD1 4Å; V377-L379 HydrophobicContact CG1-CG 3.96Å
378	V	31.6	Very low	34.3	Very low	137 Å²	137	131.6 Å²	131.6	83%	0.83	78%	0.776	S	S	*	*			trans	-94.8	119.6	169.3	174.8	0	0	0	0	108.6
379	L	33.6	Very low	34	Very low	152 Å²	152	132.7 Å²	132.7	80%	0.796	78%	0.779	S	S	*	*			trans	-138.6	116.9	170.2	-74.1	175.6	0	0	0	111.3	V377	V377-L379 HydrophobicContact CG1-CD1 4Å; V377-L379 HydrophobicContact CG1-CG 3.96Å
380	T	30.5	Very low	33.7	Very low	125 Å²	125	135.3 Å²	135.3	77%	0.767	79%	0.786	S	S	*	*			trans	-89.9	153.4	149.4	59.4	0	0	0	0	106.8
381	P	32.5	Very low	33.5	Very low	109 Å²	109	131.5 Å²	131.5	71%	0.708	79%	0.786	S	S	*	*				-161.2	168	83.3	43.1	-22.9	0	0	0	118.7
382	S	33.9	Very low	33.1	Very low	123 Å²	123	132.9 Å²	132.9	86%	0.86	78%	0.784	S	S	*	*			trans	56.3	163	135.3	-64.4	0	0	0	0	125
383	K	30.1	Very low	32.9	Very low	213 Å²	213	133 Å²	133	93%	0.926	78%	0.782	S	S	*	*			trans	-97.3	145.7	-170.7	-51.3	168.6	178.9	177.2	0	114.4
384	A	35	Very low	33	Very low	88 Å²	88	135.1 Å²	135.1	73%	0.727	78%	0.781	S	S	*	*			trans	-164.3	131.6	145.2	0	0	0	0	0	107.6
385	H	35.6	Very low	32.8	Very low	171 Å²	171	139.1 Å²	139.1	79%	0.792	79%	0.787	S	S	*	*				53.5	122.5	79.5	-86.3	-64.5	0	0	0	113.1
386	L	35.5	Very low	32.5	Very low	134 Å²	134	141.9 Å²	141.9	70%	0.702	79%	0.785	S	S	*	*			cis	-147.9	164.3	13.8	-85.1	147.8	0	0	0	111.7
387	N	30.9	Very low	32.5	Very low	126 Å²	126	139.2 Å²	139.2	67%	0.674	78%	0.776	S	S	*	*			trans	38.2	150.9	145.9	-63	23.9	0	0	0	121.5
388	E	32.5	Very low	32.2	Very low	167 Å²	167	141.2 Å²	141.2	78%	0.78	78%	0.781	S	S	*	*			cis	-146.8	173	26.4	-148.3	130.2	-104.9	0	0	113.8
389	T	31.4	Very low	32.2	Very low	122 Å²	122	143.5 Å²	143.5	75%	0.748	78%	0.779	S	S	*	*			trans	-74.6	140.1	-162.4	45.6	0	0	0	0	118
390	T	32	Very low	31.9	Very low	140 Å²	140	141.7 Å²	141.7	86%	0.859	78%	0.779	S	S	*	*				-155.9	128.9	114.4	31.2	0	0	0	0	109.9
391	P	31.1	Very low	31.9	Very low	119 Å²	119	142.2 Å²	142.2	77%	0.773	78%	0.776	S	S	*	*			trans	-97.4	148.9	-179.4	36.5	-32.8	0	0	0	113.8
392	D	29.3	Very low	31.7	Very low	156 Å²	156	143.5 Å²	143.5	83%	0.834	78%	0.777	S	S	*	*			trans	-89.6	120.9	176	-165.3	-0.6	0	0	0	110.4	H394	D392-H394 PolarHBondContact O-N 2.8Å
393	P	35.6	Very low	31.4	Very low	108 Å²	108	143.2 Å²	143.2	70%	0.701	76%	0.761	S	S	*	*			trans	-82.5	91.4	-171.3	30.9	-32.5	0	0	0	113.6
394	H	33.6	Very low	31.3	Very low	153 Å²	153	138 Å²	138	71%	0.708	74%	0.74	S	S	*	*			trans	73.4	103	135.4	-74.9	-67.6	0	0	0	120.9	D392 M396	D392-H394 PolarHBondContact O-N 2.8Å; H394-M396 HydrophobicContact CB-CG 4.09Å
395	E	30.7	Very low	31.1	Very low	197 Å²	197	135.4 Å²	135.4	92%	0.921	72%	0.715	S	S	*	*				-51.9	136.6	118	-70.1	-178.7	116.3	0	0	109.9
396	M	30.9	Very low	30.7	Very low	159 Å²	159	130 Å²	130	78%	0.783	70%	0.697	S	S	*	*			trans	-125	148.2	163.7	-92.9	-165.2	69.3	0	0	111.5	H394	H394-M396 HydrophobicContact CB-CG 4.09Å
397	P	32	Very low	30.8	Very low	101 Å²	101	126.6 Å²	126.6	66%	0.656	68%	0.684	S	S	*	*			trans	-91.4	144.8	-157.2	-5.7	26	0	0	0	112.7	K399	P397-K399 PolarHBondContact O-N 2.92Å; P397-K399 VanDerWaalsContact O-N 3.13Å
398	I	28.2	Very low	30.8	Very low	166 Å²	166	126.4 Å²	126.4	85%	0.851	69%	0.693	S	S	*	*			trans	-55.9	117	165.2	-59.8	170	0	0	0	108.6
399	K	31.1	Very low	30.8	Very low	184 Å²	184	124.7 Å²	124.7	80%	0.8	69%	0.688	S	S	*	*			trans	-109.3	110.8	165.9	-81.1	-173.8	174.1	-179.9	0	108.8	P397 I401	P397-K399 PolarHBondContact O-N 2.92Å; P397-K399 VanDerWaalsContact O-N 3.13Å; K399-I401 PolarHBondContact O-N 3.34Å
400	S	26.6	Very low	30.7	Very low	114 Å²	114	123.8 Å²	123.8	80%	0.797	68%	0.684	S	S	*	*			trans	-62.6	127.3	175.1	-49.9	0	0	0	0	110.9
401	I	31.5	Very low	30.5	Very low	137 Å²	137	123 Å²	123	70%	0.703	68%	0.684	S	S	*	*			trans	-128.2	121.7	163.9	-61.9	178.7	0	0	0	104.3	K399	K399-I401 PolarHBondContact O-N 3.34Å
402	N	27.4	Very low	30.5	Very low	136 Å²	136	122.3 Å²	122.3	73%	0.727	68%	0.682	S	S	*	*			trans	-77.7	155.6	164.7	-64.5	-18.4	0	0	0	107.9
403	F	27.3	Very low	31.2	Very low	117 Å²	117	118.7 Å²	118.7	51%	0.513	67%	0.666	S	S	.	*			trans	-155.7	-0.8	130.3	-110	-69.9	0	0	0	118.6	D182 F184 N185	D182-F403 HydrophobicContact CB-CB 3.48Å; D182-F403 VanDerWaalsContact CB-CB 3.48Å; D182-F403 PolarHBondContact OD1-N 2.9Å; F184-F403 CarbonylContact C-O 3.58Å; F184-F403 PolarHBondContact N-O 3.47Å; F184-F403 WeakPolarHBondContact O-CD1 3.17Å; N185-F403 HydrophobicContact CB-CE1 4.23Å
404	Q	30	Very low	32.2	Very low	103 Å²	103	119.8 Å²	119.8	48%	0.481	67%	0.666	S	S	.	*			trans	64.8	160	176.3	-170.6	176.1	-118	0	0	113.9	H181 D182 I183 F184 N185	H181-Q404 CarbonylContact O-C 3.56Å; H181-Q404 WeakPolarHBondContact O-CA 3.32Å; H181-Q404 PolarHBondContact O-N 3.18Å; D182-Q404 CarbonylContact C-O 2.7Å; D182-Q404 PolarHBondContact OD1-N 3.28Å; I183-Q404 CarbonylContact C-O 3.37Å; I183-Q404 WeakPolarHBondContact CA-O 3.5Å; I183-Q404 PolarHBondContact N-O 3.02Å; F184-Q404 HydrophobicContact CB-CB 3.94Å; F184-Q404 HydrophobicContact CB-CG 3.93Å; F184-Q404 PolarHBondContact N-O 3.39Å; N185-Q404 PolarHBondContact OD1-NE2 2.75Å
405	P	29.8	Very low	33.9	Very low	34 Å²	34	114.2 Å²	114.2	22%	0.221	64%	0.641	C	S	.	*			trans	-125.8	143.8	-165.5	40.4	-32.8	0	0	0	123.4	E180 D182 I183 F184	E180-P405 WeakPolarHBondContact O-CB 3.41Å; E180-P405 VanDerWaalsContact O-CG 3.27Å; E180-P405 WeakPolarHBondContact O-CG 3.48Å; D182-P405 VanDerWaalsContact O-CA 3.23Å; D182-P405 WeakPolarHBondContact O-CA 3.45Å; D182-P405 WeakPolarHBondContact O-CB 3.19Å; I183-P405 CarbonylContact O-C 2.82Å; I183-P405 WeakPolarHBondContact O-CA 3.35Å; F184-P405 WeakPolarHBondContact CD2-O 3.44Å; F184-P405 WeakPolarHBondContact CE2-O 3.46Å
406	S	28.1	Very low	35.8	Very low	58 Å²	58	107.6 Å²	107.6	41%	0.406	62%	0.616	S	S	.	*			trans	-125	95.9	-176	75.2	0	0	0	0	116.6	I183	I183-S406 WeakPolarHBondContact CG2-OG 3.39Å; I183-S406 WeakPolarHBondContact O-CB 3.22Å; I183-S406 PolarHBondContact O-N 3.06Å; I183-S406 PolarHBondContact O-OG 3.22Å; I183-S406 VanDerWaalsContact O-OG 3.08Å
407	S	37.5	Very low	38	Very low	61 Å²	61	100 Å²	100	43%	0.427	58%	0.579	S	S	.	*	S	Bend	trans	-144.5	49.9	166.7	57.5	0	0	0	0	113.7	E180 I409	E180-S407 PolarHBondContact OE1-OG 3.48Å; S407-I409 PolarHBondContact O-N 3.32Å
408	S	29.4	Very low	39.9	Very low	123 Å²	123	97.9 Å²	97.9	86%	0.86	56%	0.564	S	S	*	*			trans	58.4	36	166.3	63.9	0	0	0	0	117.6
409	I	33.2	Very low	42.2	Very low	131 Å²	131	90.7 Å²	90.7	67%	0.672	53%	0.527	S	S	*	.			trans	-61.8	133	169.9	-58.3	174.2	0	0	0	110.2	S407 S411	S407-I409 PolarHBondContact O-N 3.32Å; I409-S411 PolarHBondContact O-N 2.79Å
410	P	28.5	Very low	43.7	Very low	102 Å²	102	85 Å²	85	66%	0.662	51%	0.51	S	S	*	.			trans	-61.5	103.8	168.6	-22.2	34	0	0	0	111	S412	P410-S412 VanDerWaalsContact C-N 3.28Å; P410-S412 PolarHBondContact O-N 3Å
411	S	28.6	Very low	45.3	Very low	123 Å²	123	83.7 Å²	83.7	86%	0.86	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	68	-166.5	62	0	0	0	0	113.7	I409	I409-S411 PolarHBondContact O-N 2.79Å
412	S	30.7	Very low	46.3	Very low	106 Å²	106	79.8 Å²	79.8	74%	0.741	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.5	-12.2	178.2	58.3	0	0	0	0	117	P410	P410-S412 VanDerWaalsContact C-N 3.28Å; P410-S412 PolarHBondContact O-N 3Å
413	T	44.8	Very low	47.3	Very low	80 Å²	80	78.6 Å²	78.6	49%	0.491	47%	0.468	S	S	.	.			trans	-120.3	106.3	-173.1	49.2	0	0	0	0	113	I415	T413-I415 VanDerWaalsContact C-N 3.29Å; T413-I415 PolarHBondContact O-N 3.42Å
414	N	55.6	Low	48.2	Very low	131 Å²	131	80.1 Å²	80.1	70%	0.701	48%	0.482	S	S	*	.			trans	-80.2	80.8	165.8	-168.1	-20	0	0	0	108.9	S416 K442	N414-S416 VanDerWaalsContact C-N 3.32Å; N414-S416 PolarHBondContact O-N 3.22Å; N414-K442 PolarHBondContact O-NZ 3.37Å
415	I	69.7	Low	48.7	Very low	36 Å²	36	82 Å²	82	19%	0.185	50%	0.495	C	S	.	.			trans	-66.9	-31.9	-169.1	-66.1	178.3	0	0	0	112	T413 F446 Y449	T413-I415 VanDerWaalsContact C-N 3.29Å; T413-I415 PolarHBondContact O-N 3.42Å; I415-F446 HydrophobicContact CG2-CD2 3.49Å; I415-F446 VanDerWaalsContact CG2-CD2 3.49Å; I415-F446 HydrophobicContact CG2-CE2 3.87Å; I415-Y449 HydrophobicContact CD1-CD1 4.36Å; I415-Y449 HydrophobicContact CD1-CD2 3.69Å; I415-Y449 HydrophobicContact CD1-CE1 4.49Å; I415-Y449 HydrophobicContact CD1-CE2 3.8Å; I415-Y449 HydrophobicContact CD1-CG 4Å
416	S	71.4	Confident	49.1	Very low	57 Å²	57	85.5 Å²	85.5	40%	0.399	52%	0.52	S	S	.	.			trans	-49.5	137.2	-174.7	-50.4	0	0	0	0	113.5	N414 K442 H517	N414-S416 VanDerWaalsContact C-N 3.32Å; N414-S416 PolarHBondContact O-N 3.22Å; S416-K442 PolarHBondContact O-NZ 3.22Å; S416-H517 WeakPolarHBondContact CA-O 3.41Å
417	L	76.2	Confident	49.7	Very low	1 Å²	1	89.7 Å²	89.7	1%	0.005	54%	0.538	C	S	.	.	B	Isolated β-bridge	trans	-109.3	126.5	178.7	-60	-173.2	0	0	0	110.7	K442 F443 F446 H517 L518 E519	L417-K442 HydrophobicContact CD2-CB 3.84Å; L417-K442 HydrophobicContact CD2-CD 3.41Å; L417-K442 VanDerWaalsContact CD2-CD 3.41Å; L417-K442 HydrophobicContact CD2-CG 4.3Å; L417-F443 HydrophobicContact CD1-CD1 3.94Å; L417-F443 HydrophobicContact CD1-CE1 3.34Å; L417-F443 HydrophobicContact CD1-CZ 3.91Å; L417-F446 HydrophobicContact CD1-CD1 3.45Å; L417-F446 VanDerWaalsContact CD1-CD1 3.45Å; L417-F446 HydrophobicContact CD1-CE1 3.56Å; L417-F446 HydrophobicContact CD1-CG 4.23Å; L417-F446 HydrophobicContact CD1-CZ 4.42Å; L417-F446 HydrophobicContact CG-CD1 4.26Å; L417-F446 HydrophobicContact CG-CE1 4.32Å; L417-H517 PolarHBondContact N-O 3.47Å; L417-L518 HydrophobicContact CB-CD2 4.01Å; L417-L518 HydrophobicContact CD1-CD2 4.15Å; L417-L518 HydrophobicContact CG-CD2 4.47Å; L417-E519 PolarHBondContact O-N 2.76Å; L417-E519 VanDerWaalsContact O-N 3.16Å
418	T	72.5	Confident	50.1	Low	55 Å²	55	94 Å²	94	34%	0.337	56%	0.556	S	S	.	*			trans	-126.9	105.9	178.5	-63.7	0	0	0	0	109.1	C420 E519	T418-C420 PolarHBondContact O-N 3.22Å; T418-E519 WeakPolarHBondContact CB-OE2 3.26Å; T418-E519 WeakPolarHBondContact CG2-OE2 3.5Å; T418-E519 PolarHBondContact OG1-OE2 3.45Å
419	L	76.7	Confident	51.4	Low	16 Å²	16	90.6 Å²	90.6	8%	0.084	53%	0.532	C	S	.	.			trans	-78.1	115.2	168.7	-78.4	69.9	0	0	0	109.8	T439 Q520 L644 W645 L648	L419-T439 HydrophobicContact CD1-CG2 4.2Å; L419-Q520 VanDerWaalsContact N-NE2 3.15Å; L419-Q520 PolarHBondContact O-NE2 3.44Å; L419-L644 HydrophobicContact CB-CB 4.37Å; L419-L644 HydrophobicContact CD2-CB 4Å; L419-W645 HydrophobicContact CD1-CD2 4.32Å; L419-W645 HydrophobicContact CD1-CE3 4.3Å; L419-W645 HydrophobicContact CD1-CH2 3.72Å; L419-W645 HydrophobicContact CD1-CZ2 3.65Å; L419-W645 HydrophobicContact CD1-CZ3 4.07Å; L419-W645 HydrophobicContact CD2-CD2 3.63Å; L419-W645 HydrophobicContact CD2-CE3 3.9Å; L419-W645 HydrophobicContact CD2-CG 3.93Å; L419-W645 HydrophobicContact CD2-CZ2 4.41Å; L419-W645 HydrophobicContact CD2-CZ3 4.47Å; L419-L648 HydrophobicContact CD1-CD2 4.43Å; L419-L648 HydrophobicContact CD2-CB 4.31Å; L419-L648 HydrophobicContact CD2-CD2 3.86Å; L419-L648 HydrophobicContact CG-CD2 4.07Å
420	C	61.3	Low	52.7	Low	64 Å²	64	89 Å²	89	43%	0.432	53%	0.525	S	S	.	.			trans	-84	131	178.1	-72.5	0	0	0	0	112.1	T418 N422	T418-C420 PolarHBondContact O-N 3.22Å; C420-N422 PolarHBondContact O-N 3.48Å; C420-N422 VanDerWaalsContact O-N 3.11Å
421	N	60.5	Low	55	Low	86 Å²	86	90.3 Å²	90.3	46%	0.46	53%	0.526	S	S	.	.			trans	-83.4	87	177.8	-175.5	-4.6	0	0	0	111.4	N423 L644	N421-N423 PolarHBondContact O-N 2.67Å; N421-N423 VanDerWaalsContact O-N 3.14Å; N421-N423 WeakPolarHBondContact OD1-CB 3.47Å; N421-N423 PolarHBondContact OD1-N 2.58Å; N421-N423 PolarHBondContact OD1-ND2 2.75Å; N421-L644 HydrophobicContact CB-CD1 4.47Å; N421-L644 HydrophobicContact CB-CD2 3.99Å
422	N	52.6	Low	57.7	Low	55 Å²	55	86 Å²	86	29%	0.294	49%	0.494	S	S	.	.			trans	-76.2	11.2	-175	-81.6	-35.2	0	0	0	116.1	C420 N424 E435	C420-N422 PolarHBondContact O-N 3.48Å; C420-N422 VanDerWaalsContact O-N 3.11Å; N422-N424 PolarHBondContact O-N 3.1Å; N422-E435 PolarHBondContact ND2-OE2 2.88Å
423	N	49.2	Very low	60.4	Low	111 Å²	111	82.9 Å²	82.9	59%	0.594	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	13.3	-178.6	-70.2	-21.3	0	0	0	115.9	N421	N421-N423 PolarHBondContact O-N 2.67Å; N421-N423 VanDerWaalsContact O-N 3.14Å; N421-N423 WeakPolarHBondContact OD1-CB 3.47Å; N421-N423 PolarHBondContact OD1-N 2.58Å; N421-N423 PolarHBondContact OD1-ND2 2.75Å
424	N	45.7	Very low	62.4	Low	150 Å²	150	87.7 Å²	87.7	80%	0.802	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-6.6	-179.1	-77.5	-60.5	0	0	0	114.8	N422	N422-N424 PolarHBondContact O-N 3.1Å
425	N	41.3	Very low	63.8	Low	142 Å²	142	85.7 Å²	85.7	76%	0.759	47%	0.471	S	S	*	.	S	Bend	trans	-109	137.7	175.5	-85.2	-32.5	0	0	0	111.8
426	S	38.2	Very low	64.7	Low	107 Å²	107	84.7 Å²	84.7	75%	0.748	47%	0.466	S	S	*	.			trans	-68.7	136	-168.2	-54.2	0	0	0	0	114.7	N428	S426-N428 PolarHBondContact O-N 2.81Å
427	N	39.6	Very low	65.6	Low	147 Å²	147	85.2 Å²	85.2	79%	0.786	46%	0.462	S	S	*	.	S	Bend	trans	56	50.7	144.8	-55.3	-1.5	0	0	0	118.1
428	N	46.9	Very low	66.1	Low	152 Å²	152	91.4 Å²	91.4	81%	0.813	49%	0.491	S	S	*	.			trans	-170.2	17.8	149.9	-105.6	-15.5	0	0	0	116.2	S426 N430	S426-N428 PolarHBondContact O-N 2.81Å; N428-N430 PolarHBondContact O-N 2.84Å
429	S	55.8	Low	66.9	Low	50 Å²	50	89.8 Å²	89.8	35%	0.35	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	37.9	-167.7	60.4	0	0	0	0	116.3
430	N	61.6	Low	67.6	Low	99 Å²	99	89 Å²	89	53%	0.529	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-23.4	171.9	-75.8	-6.9	0	0	0	112.9	N428	N428-N430 PolarHBondContact O-N 2.84Å
431	N	76.5	Confident	68.9	Low	128 Å²	128	90.3 Å²	90.3	68%	0.684	48%	0.479	S	S	*	.	S	Bend	trans	-81.5	146.5	-178.3	-64.5	-13.8	0	0	0	111.2	T433	N431-T433 PolarHBondContact O-N 3.25Å
432	L	85.1	Confident	70.4	Confident	34 Å²	34	89.9 Å²	89.9	18%	0.178	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-55.8	125	171	-168.3	72.8	0	0	0	110.6	D436 Q437 L440 R651	L432-D436 HydrophobicContact CD1-CB 3.39Å; L432-D436 HydrophobicContact CG-CB 3.93Å; L432-Q437 HydrophobicContact CD2-CB 4.29Å; L432-Q437 VanDerWaalsContact CD2-OE1 3.23Å; L432-L440 HydrophobicContact CD1-CD1 3.75Å; L432-L440 HydrophobicContact CD2-CD1 4.11Å; L432-R651 HydrophobicContact CB-CB 4.23Å; L432-R651 HydrophobicContact CD1-CB 3.58Å
433	T	87.4	Confident	72.3	Confident	40 Å²	40	87.2 Å²	87.2	25%	0.245	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-83.3	165.8	179.2	69.6	0	0	0	0	111.6	N431 E435 D436 Q437	N431-T433 PolarHBondContact O-N 3.25Å; T433-E435 PolarHBondContact O-N 3.22Å; T433-D436 WeakPolarHBondContact CB-OD2 3.31Å; T433-D436 WeakPolarHBondContact CG2-OD2 3.31Å; T433-D436 PolarHBondContact N-OD2 3.46Å; T433-D436 PolarHBondContact O-N 3.27Å; T433-D436 PolarHBondContact OG1-N 2.99Å; T433-D436 VanDerWaalsContact OG1-N 3.08Å; T433-D436 PolarHBondContact OG1-OD2 3.14Å; T433-Q437 PolarHBondContact O-N 3.11Å
434	K	86.1	Confident	74.3	Confident	181 Å²	181	85.5 Å²	85.5	79%	0.787	45%	0.45	S	S	*	.	H	α-helix	trans	-63.2	-32	174.1	-68.6	-173.1	177.2	-175.8	0	112.4	Q438	K434-Q438 WeakPolarHBondContact O-CB 3.35Å; K434-Q438 VanDerWaalsContact O-CG 3.24Å; K434-Q438 WeakPolarHBondContact O-CG 3.26Å; K434-Q438 PolarHBondContact O-N 3.4Å
435	E	85.8	Confident	76.6	Confident	89 Å²	89	87.6 Å²	87.6	42%	0.416	45%	0.447	S	S	.	.	H	α-helix	trans	-71.4	-41.6	176.2	-63.4	169.9	176.9	0	0	111	N422 T433 Q438 T439	N422-E435 PolarHBondContact ND2-OE2 2.88Å; T433-E435 PolarHBondContact O-N 3.22Å; E435-Q438 PolarHBondContact O-N 2.91Å; E435-T439 WeakPolarHBondContact O-CB 3.45Å; E435-T439 PolarHBondContact O-N 2.84Å; E435-T439 PolarHBondContact O-OG1 3.02Å
436	D	89.2	Confident	79.1	Confident	14 Å²	14	81.1 Å²	81.1	8%	0.075	41%	0.412	C	S	.	.	H	α-helix	trans	-59.1	-48.9	173.1	-61.3	-41.2	0	0	0	110.2	L432 T433 T439 L440 L648 R651	L432-D436 HydrophobicContact CD1-CB 3.39Å; L432-D436 HydrophobicContact CG-CB 3.93Å; T433-D436 WeakPolarHBondContact CB-OD2 3.31Å; T433-D436 WeakPolarHBondContact CG2-OD2 3.31Å; T433-D436 PolarHBondContact N-OD2 3.46Å; T433-D436 PolarHBondContact O-N 3.27Å; T433-D436 PolarHBondContact OG1-N 2.99Å; T433-D436 VanDerWaalsContact OG1-N 3.08Å; T433-D436 PolarHBondContact OG1-OD2 3.14Å; D436-T439 WeakPolarHBondContact O-CB 3.44Å; D436-T439 PolarHBondContact O-N 3.23Å; D436-L440 WeakPolarHBondContact O-CB 3.24Å; D436-L440 WeakPolarHBondContact O-CD1 3.41Å; D436-L440 VanDerWaalsContact O-CG 3.28Å; D436-L440 WeakPolarHBondContact O-CG 3.38Å; D436-L440 PolarHBondContact O-N 3.07Å; D436-L648 HydrophobicContact CB-CD1 3.62Å; D436-R651 IonicContact OD1-NH1 3.35Å; D436-R651 IonicContact OD2-CZ 3.81Å; D436-R651 IonicContact OD2-NH1 3.48Å; D436-R651 PolarHBondContact OD2-NH1 3.48Å
437	Q	89	Confident	81.8	Confident	68 Å²	68	76.2 Å²	76.2	32%	0.318	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-47.1	177.4	-173.7	68.6	57.9	0	0	112.3	L432 T433 T439 L440 D441	L432-Q437 HydrophobicContact CD2-CB 4.29Å; L432-Q437 VanDerWaalsContact CD2-OE1 3.23Å; T433-Q437 PolarHBondContact O-N 3.11Å; Q437-T439 PolarHBondContact O-N 2.76Å; Q437-L440 PolarHBondContact O-N 3.43Å; Q437-L440 VanDerWaalsContact O-N 3.08Å; Q437-D441 PolarHBondContact NE2-OD1 3.46Å; Q437-D441 PolarHBondContact O-N 2.97Å
438	Q	88	Confident	84.4	Confident	132 Å²	132	72.2 Å²	72.2	62%	0.617	36%	0.356	S	S	*	.	H	α-helix	trans	-62	-30	176.8	-77.1	174.4	-4.9	0	0	113.1	K434 E435	K434-Q438 WeakPolarHBondContact O-CB 3.35Å; K434-Q438 VanDerWaalsContact O-CG 3.24Å; K434-Q438 WeakPolarHBondContact O-CG 3.26Å; K434-Q438 PolarHBondContact O-N 3.4Å; E435-Q438 PolarHBondContact O-N 2.91Å
439	T	88.9	Confident	86.7	Confident	21 Å²	21	67.9 Å²	67.9	13%	0.129	33%	0.329	C	S	.	.	H	α-helix	trans	-73.2	-42.7	173	-57.1	0	0	0	0	110.5	L419 E435 D436 Q437 K442 L648	L419-T439 HydrophobicContact CD1-CG2 4.2Å; E435-T439 WeakPolarHBondContact O-CB 3.45Å; E435-T439 PolarHBondContact O-N 2.84Å; E435-T439 PolarHBondContact O-OG1 3.02Å; D436-T439 WeakPolarHBondContact O-CB 3.44Å; D436-T439 PolarHBondContact O-N 3.23Å; Q437-T439 PolarHBondContact O-N 2.76Å; T439-K442 PolarHBondContact O-N 2.93Å; T439-L648 HydrophobicContact CG2-CD2 4.4Å
440	L	90.5	Very high	88.5	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-45.8	178.7	-73.4	156.3	0	0	0	112.1	L432 D436 Q437 K442 F443 M614 P618 L648 Y652	L432-L440 HydrophobicContact CD1-CD1 3.75Å; L432-L440 HydrophobicContact CD2-CD1 4.11Å; D436-L440 WeakPolarHBondContact O-CB 3.24Å; D436-L440 WeakPolarHBondContact O-CD1 3.41Å; D436-L440 VanDerWaalsContact O-CG 3.28Å; D436-L440 WeakPolarHBondContact O-CG 3.38Å; D436-L440 PolarHBondContact O-N 3.07Å; Q437-L440 PolarHBondContact O-N 3.43Å; Q437-L440 VanDerWaalsContact O-N 3.08Å; L440-K442 PolarHBondContact O-N 2.89Å; L440-F443 HydrophobicContact CB-CD2 4.48Å; L440-F443 HydrophobicContact CD2-CD2 4.01Å; L440-F443 HydrophobicContact CD2-CE2 3.91Å; L440-F443 HydrophobicContact CG-CE2 4.43Å; L440-F443 WeakPolarHBondContact O-CB 3.38Å; L440-F443 WeakPolarHBondContact O-CD2 3.46Å; L440-F443 PolarHBondContact O-N 2.93Å; L440-M614 HydrophobicContact CB-CE 3.77Å; L440-M614 HydrophobicContact CD2-CB 4.49Å; L440-M614 WeakPolarHBondContact CD2-O 3.35Å; L440-P618 HydrophobicContact CD2-CG 4.09Å; L440-L648 HydrophobicContact CD1-CD1 3.92Å; L440-L648 HydrophobicContact CD2-CD1 4.39Å; L440-L648 HydrophobicContact CD2-CD2 4.5Å; L440-L648 HydrophobicContact CD2-CG 4.26Å; L440-L648 HydrophobicContact CG-CD1 4Å; L440-L648 HydrophobicContact CG-CG 4.39Å; L440-Y652 HydrophobicContact CD1-CD2 3.76Å; L440-Y652 HydrophobicContact CD1-CG 4.13Å; L440-Y652 HydrophobicContact CD2-CD2 4.39Å; L440-Y652 HydrophobicContact CD2-CG 4.28Å
441	D	89.2	Confident	90	Very high	90 Å²	90	63.2 Å²	63.2	48%	0.481	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.8	-179.2	-66.1	-20.7	0	0	0	113.5	Q437 M614	Q437-D441 PolarHBondContact NE2-OD1 3.46Å; Q437-D441 PolarHBondContact O-N 2.97Å; D441-M614 WeakPolarHBondContact OD1-CE 3.32Å
442	K	91.2	Very high	90.7	Very high	77 Å²	77	61.3 Å²	61.3	34%	0.335	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-26.1	172.8	-67.7	-178.1	178.4	-158.2	0	113.8	N414 S416 L417 T439 L440 D444 R445 F446	N414-K442 PolarHBondContact O-NZ 3.37Å; S416-K442 PolarHBondContact O-NZ 3.22Å; L417-K442 HydrophobicContact CD2-CB 3.84Å; L417-K442 HydrophobicContact CD2-CD 3.41Å; L417-K442 VanDerWaalsContact CD2-CD 3.41Å; L417-K442 HydrophobicContact CD2-CG 4.3Å; T439-K442 PolarHBondContact O-N 2.93Å; L440-K442 PolarHBondContact O-N 2.89Å; K442-D444 VanDerWaalsContact C-N 3.3Å; K442-D444 PolarHBondContact O-N 2.77Å; K442-R445 PolarHBondContact O-N 3.28Å; K442-F446 WeakPolarHBondContact O-CB 3.24Å; K442-F446 PolarHBondContact O-N 3.37Å
443	F	93.1	Very high	90.9	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-34.8	-166.6	-81.1	-60.4	0	0	0	114	L417 L440 F446 L447 P618 W645 L648	L417-F443 HydrophobicContact CD1-CD1 3.94Å; L417-F443 HydrophobicContact CD1-CE1 3.34Å; L417-F443 HydrophobicContact CD1-CZ 3.91Å; L440-F443 HydrophobicContact CB-CD2 4.48Å; L440-F443 HydrophobicContact CD2-CD2 4.01Å; L440-F443 HydrophobicContact CD2-CE2 3.91Å; L440-F443 HydrophobicContact CG-CE2 4.43Å; L440-F443 WeakPolarHBondContact O-CB 3.38Å; L440-F443 WeakPolarHBondContact O-CD2 3.46Å; L440-F443 PolarHBondContact O-N 2.93Å; F443-F446 HydrophobicContact CD1-CD1 4.2Å; F443-F446 PolarHBondContact O-N 2.7Å; F443-L447 HydrophobicContact CB-CD1 4.36Å; F443-L447 VanDerWaalsContact O-CB 3.26Å; F443-L447 WeakPolarHBondContact O-CB 3.28Å; F443-L447 WeakPolarHBondContact O-CD1 3.45Å; F443-L447 VanDerWaalsContact O-CG 3.24Å; F443-L447 WeakPolarHBondContact O-CG 3.42Å; F443-L447 PolarHBondContact O-N 2.99Å; F443-P618 HydrophobicContact CD2-CG 4.25Å; F443-P618 HydrophobicContact CE2-CG 3.69Å; F443-P618 HydrophobicContact CZ-CG 4.03Å; F443-W645 HydrophobicContact CE1-CH2 4.27Å; F443-W645 AromaticContact CE1-CZ3 3.92Å; F443-W645 HydrophobicContact CE1-CZ3 3.92Å; F443-W645 HydrophobicContact CZ-CH2 4.19Å; F443-W645 AromaticContact CZ-CZ3 3.61Å; F443-W645 HydrophobicContact CZ-CZ3 3.61Å; F443-L648 HydrophobicContact CE2-CD2 4.25Å; F443-L648 HydrophobicContact CZ-CD2 4.46Å
444	D	91.9	Very high	91	Very high	74 Å²	74	60.1 Å²	60.1	40%	0.396	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-52.4	178.3	-171.6	76.3	0	0	0	111.4	K442 F446 N448 N613	K442-D444 VanDerWaalsContact C-N 3.3Å; K442-D444 PolarHBondContact O-N 2.77Å; D444-F446 VanDerWaalsContact C-N 3.32Å; D444-F446 PolarHBondContact O-N 3.31Å; D444-N448 WeakPolarHBondContact O-CB 3.17Å; D444-N448 PolarHBondContact O-N 2.9Å; D444-N448 PolarHBondContact O-ND2 2.89Å; D444-N448 PolarHBondContact OD2-ND2 3.29Å; D444-N613 HydrophobicContact CB-CB 4.43Å; D444-N613 PolarHBondContact OD1-ND2 3.43Å
445	R	93.4	Very high	91	Very high	195 Å²	195	55.4 Å²	55.4	74%	0.736	26%	0.26	S	S	*	.	H	α-helix	trans	-62.7	-38.9	176.7	-62.7	-176.5	-175.5	-179.6	2.4	112	K442 Y449	K442-R445 PolarHBondContact O-N 3.28Å; R445-Y449 WeakPolarHBondContact O-CB 3.34Å; R445-Y449 PolarHBondContact O-N 3.08Å
446	F	94.6	Very high	90.9	Very high	5 Å²	5	56.3 Å²	56.3	2%	0.022	26%	0.263	C	S	.	.	H	α-helix	trans	-68.3	-47.8	-179.5	177.5	-129.7	0	0	0	112.7	I415 L417 K442 F443 D444 N448 Y449 C450 F514 H517 L518	I415-F446 HydrophobicContact CG2-CD2 3.49Å; I415-F446 VanDerWaalsContact CG2-CD2 3.49Å; I415-F446 HydrophobicContact CG2-CE2 3.87Å; L417-F446 HydrophobicContact CD1-CD1 3.45Å; L417-F446 VanDerWaalsContact CD1-CD1 3.45Å; L417-F446 HydrophobicContact CD1-CE1 3.56Å; L417-F446 HydrophobicContact CD1-CG 4.23Å; L417-F446 HydrophobicContact CD1-CZ 4.42Å; L417-F446 HydrophobicContact CG-CD1 4.26Å; L417-F446 HydrophobicContact CG-CE1 4.32Å; K442-F446 WeakPolarHBondContact O-CB 3.24Å; K442-F446 PolarHBondContact O-N 3.37Å; F443-F446 HydrophobicContact CD1-CD1 4.2Å; F443-F446 PolarHBondContact O-N 2.7Å; D444-F446 VanDerWaalsContact C-N 3.32Å; D444-F446 PolarHBondContact O-N 3.31Å; F446-N448 VanDerWaalsContact C-N 3.31Å; F446-N448 PolarHBondContact O-N 2.81Å; F446-Y449 WeakPolarHBondContact O-CB 3.5Å; F446-Y449 PolarHBondContact O-N 2.94Å; F446-C450 VanDerWaalsContact CE2-SG 3.54Å; F446-C450 PolarHBondContact O-N 3.14Å; F446-C450 PolarHBondContact O-SG 3.05Å; F446-F514 HydrophobicContact CD1-CD2 4.25Å; F446-F514 HydrophobicContact CD1-CE2 4.19Å; F446-F514 AromaticContact CE1-CD2 3.52Å; F446-F514 HydrophobicContact CE1-CD2 3.52Å; F446-F514 AromaticContact CE1-CE2 3.63Å; F446-F514 HydrophobicContact CE1-CE2 3.63Å; F446-F514 HydrophobicContact CE1-CG 4.21Å; F446-F514 HydrophobicContact CE1-CZ 4.38Å; F446-F514 HydrophobicContact CZ-CD2 4.12Å; F446-F514 HydrophobicContact CZ-CG 4.44Å; F446-F514 WeakPolarHBondContact CZ-O 3.41Å; F446-H517 HydrophobicContact CE2-CB 3.59Å; F446-H517 AromaticContact CE2-CG 3.99Å; F446-H517 HydrophobicContact CZ-CB 3.81Å; F446-L518 HydrophobicContact CE1-CD2 4.23Å; F446-L518 HydrophobicContact CZ-CD2 4.34Å
447	L	94.9	Very high	90.6	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-65.7	-35.6	177.8	-71	166.5	0	0	0	111.6	F443 C450 K451 F510 F514 N613 F616 I620	F443-L447 HydrophobicContact CB-CD1 4.36Å; F443-L447 VanDerWaalsContact O-CB 3.26Å; F443-L447 WeakPolarHBondContact O-CB 3.28Å; F443-L447 WeakPolarHBondContact O-CD1 3.45Å; F443-L447 VanDerWaalsContact O-CG 3.24Å; F443-L447 WeakPolarHBondContact O-CG 3.42Å; F443-L447 PolarHBondContact O-N 2.99Å; L447-C450 PolarHBondContact O-N 2.83Å; L447-K451 WeakPolarHBondContact O-CG 3.42Å; L447-K451 PolarHBondContact O-N 3.12Å; L447-F510 HydrophobicContact CD2-CE2 4.45Å; L447-F510 HydrophobicContact CD2-CZ 3.92Å; L447-F514 HydrophobicContact CD2-CD2 3.92Å; L447-F514 HydrophobicContact CD2-CE2 3.92Å; L447-N613 HydrophobicContact CD1-CB 3.87Å; L447-F616 HydrophobicContact CD1-CD1 4.14Å; L447-F616 HydrophobicContact CD2-CD1 4.42Å; L447-I620 HydrophobicContact CD2-CD1 3.85Å
448	N	93.4	Very high	89.9	Confident	63 Å²	63	56 Å²	56	34%	0.337	26%	0.259	S	S	.	.	H	α-helix	trans	-67.4	-42.1	173.1	-68.3	-28.6	0	0	0	111.5	D444 F446 C450 K451 D452	D444-N448 WeakPolarHBondContact O-CB 3.17Å; D444-N448 PolarHBondContact O-N 2.9Å; D444-N448 PolarHBondContact O-ND2 2.89Å; D444-N448 PolarHBondContact OD2-ND2 3.29Å; F446-N448 VanDerWaalsContact C-N 3.31Å; F446-N448 PolarHBondContact O-N 2.81Å; N448-C450 PolarHBondContact O-N 3.42Å; N448-K451 PolarHBondContact O-N 2.98Å; N448-D452 PolarHBondContact O-N 3Å
449	Y	94.4	Very high	89.2	Confident	62 Å²	62	52 Å²	52	24%	0.243	25%	0.249	C	C	.	.	H	α-helix	trans	-56.3	-48.8	170.9	168.6	-87.2	0	0	0	112.1	I415 R445 F446 K451 D452 Q453 E513 H517	I415-Y449 HydrophobicContact CD1-CD1 4.36Å; I415-Y449 HydrophobicContact CD1-CD2 3.69Å; I415-Y449 HydrophobicContact CD1-CE1 4.49Å; I415-Y449 HydrophobicContact CD1-CE2 3.8Å; I415-Y449 HydrophobicContact CD1-CG 4Å; R445-Y449 WeakPolarHBondContact O-CB 3.34Å; R445-Y449 PolarHBondContact O-N 3.08Å; F446-Y449 WeakPolarHBondContact O-CB 3.5Å; F446-Y449 PolarHBondContact O-N 2.94Å; Y449-K451 VanDerWaalsContact C-N 3.3Å; Y449-K451 PolarHBondContact O-N 2.84Å; Y449-D452 PolarHBondContact O-N 2.87Å; Y449-Q453 HydrophobicContact CD1-CG 4.34Å; Y449-Q453 HydrophobicContact CD2-CG 4.44Å; Y449-Q453 HydrophobicContact CE1-CG 3.84Å; Y449-Q453 HydrophobicContact CE2-CG 3.98Å; Y449-Q453 VanDerWaalsContact CE2-NE2 3.34Å; Y449-Q453 VanDerWaalsContact CZ-NE2 3.34Å; Y449-Q453 WeakPolarHBondContact O-CG 3.31Å; Y449-Q453 PolarHBondContact O-N 3.44Å; Y449-Q453 PolarHBondContact OH-NE2 3.13Å; Y449-E513 PolarHBondContact OH-OE2 3.3Å; Y449-H517 AromaticContact CE1-CE1 3.68Å
450	C	94.9	Very high	88.1	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-36.6	179.3	-62.4	0	0	0	0	112.1	F446 L447 N448 A454 F510 E513	F446-C450 VanDerWaalsContact CE2-SG 3.54Å; F446-C450 PolarHBondContact O-N 3.14Å; F446-C450 PolarHBondContact O-SG 3.05Å; L447-C450 PolarHBondContact O-N 2.83Å; N448-C450 PolarHBondContact O-N 3.42Å; C450-A454 WeakPolarHBondContact O-CB 3.41Å; C450-A454 PolarHBondContact O-N 3.25Å; C450-A454 VanDerWaalsContact O-N 3.07Å; C450-F510 HydrophobicContact CB-CD2 3.59Å; C450-F510 HydrophobicContact CB-CE2 3.6Å; C450-E513 HydrophobicContact CB-CB 4.05Å
451	K	93.1	Very high	86.8	Confident	50 Å²	50	59.7 Å²	59.7	22%	0.217	29%	0.289	C	S	.	.	H	α-helix	trans	-64.9	-46	172.7	-78.4	-175.8	171.2	-164.3	0	112.1	L447 N448 Y449 Q453 A454 I455 F510 W573	L447-K451 WeakPolarHBondContact O-CG 3.42Å; L447-K451 PolarHBondContact O-N 3.12Å; N448-K451 PolarHBondContact O-N 2.98Å; Y449-K451 VanDerWaalsContact C-N 3.3Å; Y449-K451 PolarHBondContact O-N 2.84Å; K451-Q453 VanDerWaalsContact C-N 3.32Å; K451-Q453 PolarHBondContact O-N 3.16Å; K451-A454 WeakPolarHBondContact O-CB 3.38Å; K451-A454 PolarHBondContact O-N 2.94Å; K451-I455 VanDerWaalsContact O-CG1 3.32Å; K451-I455 WeakPolarHBondContact O-CG1 3.46Å; K451-I455 PolarHBondContact O-N 3.13Å; K451-F510 HydrophobicContact CG-CD2 4.14Å; K451-F510 HydrophobicContact CG-CE2 3.99Å; K451-W573 HydrophobicContact CG-CZ3 4.36Å
452	D	90.5	Very high	85.2	Confident	89 Å²	89	59.1 Å²	59.1	48%	0.476	28%	0.28	S	S	.	.	H	α-helix	trans	-60.6	-41.9	178.9	-78.1	-4.9	0	0	0	111.7	N448 Y449 I455 K456	N448-D452 PolarHBondContact O-N 3Å; Y449-D452 PolarHBondContact O-N 2.87Å; D452-I455 PolarHBondContact O-N 2.91Å; D452-K456 WeakPolarHBondContact O-CB 3.07Å; D452-K456 WeakPolarHBondContact O-CD 3.35Å; D452-K456 WeakPolarHBondContact O-CG 3.44Å; D452-K456 PolarHBondContact O-N 3.29Å
453	Q	89.3	Confident	82.9	Confident	48 Å²	48	61.8 Å²	61.8	22%	0.224	30%	0.298	C	S	.	.	H	α-helix	trans	-67.7	-38.2	176.4	-63.5	-61.9	23.7	0	0	112.5	Y449 K451 K456 Y457 E513	Y449-Q453 HydrophobicContact CD1-CG 4.34Å; Y449-Q453 HydrophobicContact CD2-CG 4.44Å; Y449-Q453 HydrophobicContact CE1-CG 3.84Å; Y449-Q453 HydrophobicContact CE2-CG 3.98Å; Y449-Q453 VanDerWaalsContact CE2-NE2 3.34Å; Y449-Q453 VanDerWaalsContact CZ-NE2 3.34Å; Y449-Q453 WeakPolarHBondContact O-CG 3.31Å; Y449-Q453 PolarHBondContact O-N 3.44Å; Y449-Q453 PolarHBondContact OH-NE2 3.13Å; K451-Q453 VanDerWaalsContact C-N 3.32Å; K451-Q453 PolarHBondContact O-N 3.16Å; Q453-K456 PolarHBondContact O-N 2.87Å; Q453-Y457 VanDerWaalsContact O-CB 3.3Å; Q453-Y457 WeakPolarHBondContact O-CB 3.4Å; Q453-Y457 PolarHBondContact O-N 3.28Å; Q453-E513 HydrophobicContact CB-CG 3.8Å; Q453-E513 HydrophobicContact CG-CG 4.27Å
454	A	90.6	Very high	80.3	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.9	-45.3	173.2	0	0	0	0	0	112.3	C450 K451 Y457 Q458 A506 K509 F510 W573	C450-A454 WeakPolarHBondContact O-CB 3.41Å; C450-A454 PolarHBondContact O-N 3.25Å; C450-A454 VanDerWaalsContact O-N 3.07Å; K451-A454 WeakPolarHBondContact O-CB 3.38Å; K451-A454 PolarHBondContact O-N 2.94Å; A454-Y457 PolarHBondContact O-N 3.11Å; A454-Q458 VanDerWaalsContact O-CB 3.3Å; A454-Q458 WeakPolarHBondContact O-CB 3.46Å; A454-Q458 PolarHBondContact O-N 2.89Å; A454-A506 HydrophobicContact CB-CB 4.29Å; A454-A506 VanDerWaalsContact CB-O 3.26Å; A454-A506 WeakPolarHBondContact CB-O 3.37Å; A454-K509 HydrophobicContact CB-CB 4.44Å; A454-F510 HydrophobicContact CB-CB 3.9Å; A454-W573 HydrophobicContact CB-CE3 4.23Å; A454-W573 HydrophobicContact CB-CH2 4.08Å; A454-W573 HydrophobicContact CB-CZ3 3.63Å
455	I	86	Confident	77.5	Confident	83 Å²	83	66.2 Å²	66.2	43%	0.426	32%	0.323	S	S	.	.	H	α-helix	trans	-65.8	-40.5	178.3	-67.7	164.9	0	0	0	111.2	K451 D452 Q458 A459	K451-I455 VanDerWaalsContact O-CG1 3.32Å; K451-I455 WeakPolarHBondContact O-CG1 3.46Å; K451-I455 PolarHBondContact O-N 3.13Å; D452-I455 PolarHBondContact O-N 2.91Å; I455-Q458 PolarHBondContact O-N 3.42Å; I455-A459 WeakPolarHBondContact O-CB 3.37Å; I455-A459 PolarHBondContact O-N 3.27Å
456	K	83.4	Confident	74.7	Confident	108 Å²	108	64 Å²	64	47%	0.47	32%	0.318	S	S	.	.	H	α-helix	trans	-63.6	-46.8	174.8	-72	162.4	-170.6	167.8	0	112.3	D452 Q453 Q458 A459 N460	D452-K456 WeakPolarHBondContact O-CB 3.07Å; D452-K456 WeakPolarHBondContact O-CD 3.35Å; D452-K456 WeakPolarHBondContact O-CG 3.44Å; D452-K456 PolarHBondContact O-N 3.29Å; Q453-K456 PolarHBondContact O-N 2.87Å; K456-Q458 VanDerWaalsContact C-N 3.33Å; K456-Q458 PolarHBondContact O-N 3.28Å; K456-A459 PolarHBondContact O-N 3.01Å; K456-N460 VanDerWaalsContact O-CG 3.31Å; K456-N460 PolarHBondContact O-N 3.41Å; K456-N460 PolarHBondContact O-OD1 2.8Å
457	Y	81.9	Confident	71.9	Confident	59 Å²	59	67.5 Å²	67.5	23%	0.231	34%	0.343	C	S	.	.	H	α-helix	trans	-60.9	-43.4	177.5	-176	-99.4	0	0	0	111.6	L164 Q453 A454 N460 N461 P505 K509	L164-Y457 WeakPolarHBondContact CD1-OH 3.46Å; Q453-Y457 VanDerWaalsContact O-CB 3.3Å; Q453-Y457 WeakPolarHBondContact O-CB 3.4Å; Q453-Y457 PolarHBondContact O-N 3.28Å; A454-Y457 PolarHBondContact O-N 3.11Å; Y457-N460 PolarHBondContact O-N 3.39Å; Y457-N461 WeakPolarHBondContact CE1-ND2 3.29Å; Y457-N461 WeakPolarHBondContact CE2-ND2 3.34Å; Y457-N461 WeakPolarHBondContact O-CB 3.3Å; Y457-N461 PolarHBondContact O-N 3.36Å; Y457-P505 HydrophobicContact CD1-CB 4.32Å; Y457-P505 HydrophobicContact CE1-CB 3.9Å; Y457-K509 HydrophobicContact CD1-CB 3.75Å; Y457-K509 HydrophobicContact CD1-CG 4.18Å; Y457-K509 HydrophobicContact CD2-CD 4.21Å; Y457-K509 HydrophobicContact CD2-CG 4.4Å; Y457-K509 HydrophobicContact CE1-CB 4.33Å; Y457-K509 HydrophobicContact CG-CB 3.99Å; Y457-K509 HydrophobicContact CG-CD 4.19Å; Y457-K509 HydrophobicContact CG-CG 3.87Å
458	Q	75.3	Confident	69	Low	15 Å²	15	72 Å²	72	7%	0.07	37%	0.367	C	S	.	.	H	α-helix	trans	-60.6	-46.6	173.4	-168.2	66.3	22.9	0	0	111.6	A454 I455 K456 N460 W462 A506 F574	A454-Q458 VanDerWaalsContact O-CB 3.3Å; A454-Q458 WeakPolarHBondContact O-CB 3.46Å; A454-Q458 PolarHBondContact O-N 2.89Å; I455-Q458 PolarHBondContact O-N 3.42Å; K456-Q458 VanDerWaalsContact C-N 3.33Å; K456-Q458 PolarHBondContact O-N 3.28Å; Q458-N460 VanDerWaalsContact C-N 3.35Å; Q458-N460 PolarHBondContact O-N 3.09Å; Q458-W462 WeakPolarHBondContact O-CB 3.42Å; Q458-W462 PolarHBondContact O-N 3.05Å; Q458-A506 HydrophobicContact CB-CB 4.02Å; Q458-A506 HydrophobicContact CG-CB 4.2Å; Q458-F574 HydrophobicContact CG-CZ 4.49Å
459	A	72.8	Confident	66.2	Low	49 Å²	49	71.2 Å²	71.2	41%	0.405	36%	0.36	S	S	.	.	H	α-helix	trans	-64.8	-35.6	179.9	0	0	0	0	0	113.2	I455 K456 N463	I455-A459 WeakPolarHBondContact O-CB 3.37Å; I455-A459 PolarHBondContact O-N 3.27Å; K456-A459 PolarHBondContact O-N 3.01Å; A459-N463 PolarHBondContact O-ND2 2.92Å
460	N	66.5	Low	63.3	Low	120 Å²	120	76 Å²	76	64%	0.642	38%	0.379	S	S	*	.	H	α-helix	trans	-71.4	-50.1	177.6	-69.2	-2.9	0	0	0	111.2	K456 Y457 Q458	K456-N460 VanDerWaalsContact O-CG 3.31Å; K456-N460 PolarHBondContact O-N 3.41Å; K456-N460 PolarHBondContact O-OD1 2.8Å; Y457-N460 PolarHBondContact O-N 3.39Å; Q458-N460 VanDerWaalsContact C-N 3.35Å; Q458-N460 PolarHBondContact O-N 3.09Å
461	N	61.5	Low	60.3	Low	63 Å²	63	83 Å²	83	34%	0.337	41%	0.411	S	S	.	.	H	α-helix	trans	-82.7	-33.9	-170.8	-63.1	-17.7	0	0	0	113.2	Y457 N463 I464	Y457-N461 WeakPolarHBondContact CE1-ND2 3.29Å; Y457-N461 WeakPolarHBondContact CE2-ND2 3.34Å; Y457-N461 WeakPolarHBondContact O-CB 3.3Å; Y457-N461 PolarHBondContact O-N 3.36Å; N461-N463 PolarHBondContact O-N 3.35Å; N461-I464 WeakPolarHBondContact O-CB 3.15Å; N461-I464 PolarHBondContact O-N 2.8Å
462	W	56	Low	57.5	Low	78 Å²	78	86.2 Å²	86.2	30%	0.295	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-1.2	-178.9	-157.6	-91.7	0	0	0	113.8	Q458 I464 Y469 E501 F574	Q458-W462 WeakPolarHBondContact O-CB 3.42Å; Q458-W462 PolarHBondContact O-N 3.05Å; W462-I464 VanDerWaalsContact C-N 3.33Å; W462-Y469 HydrophobicContact CH2-CD2 4.31Å; W462-Y469 AromaticContact CH2-CE2 3.43Å; W462-Y469 HydrophobicContact CH2-CE2 3.43Å; W462-Y469 VanDerWaalsContact CH2-CE2 3.43Å; W462-Y469 AromaticContact CH2-CZ 3.85Å; W462-Y469 HydrophobicContact CZ2-CD2 4.05Å; W462-Y469 HydrophobicContact CZ2-CE1 4.24Å; W462-Y469 AromaticContact CZ2-CE2 3.32Å; W462-Y469 HydrophobicContact CZ2-CE2 3.32Å; W462-Y469 AromaticContact CZ2-CZ 3.43Å; W462-Y469 VanDerWaalsContact CZ2-CZ 3.43Å; W462-Y469 HydrophobicContact CZ3-CE2 4.23Å; W462-E501 HydrophobicContact CH2-CG 4.01Å; W462-E501 HydrophobicContact CZ2-CG 3.87Å; W462-F574 AromaticContact CE2-CE1 3.96Å; W462-F574 AromaticContact CH2-CZ 3.95Å; W462-F574 HydrophobicContact CH2-CZ 3.95Å; W462-F574 AromaticContact CZ2-CE1 3.99Å; W462-F574 HydrophobicContact CZ2-CE1 3.99Å; W462-F574 AromaticContact CZ2-CZ 3.74Å; W462-F574 HydrophobicContact CZ2-CZ 3.74Å; W462-F574 HydrophobicContact CZ3-CZ 4.44Å
463	N	42.7	Very low	54.9	Low	132 Å²	132	82.4 Å²	82.4	71%	0.706	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-12.3	164.1	-85	-58.6	0	0	0	112.6	A459 N461 S465	A459-N463 PolarHBondContact O-ND2 2.92Å; N461-N463 PolarHBondContact O-N 3.35Å; N463-S465 PolarHBondContact O-N 2.79Å
464	I	38.7	Very low	52.3	Low	139 Å²	139	80.6 Å²	80.6	71%	0.713	41%	0.405	S	S	*	.	S	Bend	trans	-71.4	98.8	169.4	-59.2	-179.5	0	0	0	108.1	N461 W462	N461-I464 WeakPolarHBondContact O-CB 3.15Å; N461-I464 PolarHBondContact O-N 2.8Å; W462-I464 VanDerWaalsContact C-N 3.33Å
465	S	34	Very low	49.8	Very low	29 Å²	29	82 Å²	82	20%	0.203	41%	0.414	C	S	.	.			trans	59.8	77.5	171.2	-148.6	0	0	0	0	117.1	N463 S467 D468 Y469	N463-S465 PolarHBondContact O-N 2.79Å; S465-S467 PolarHBondContact O-N 3.48Å; S465-S467 VanDerWaalsContact O-N 3.14Å; S465-S467 WeakPolarHBondContact OG-CB 3.38Å; S465-S467 PolarHBondContact OG-OG 2.98Å; S465-D468 WeakPolarHBondContact CB-OD2 3.47Å; S465-D468 PolarHBondContact O-N 3.43Å; S465-D468 WeakPolarHBondContact OG-CB 3.41Å; S465-D468 PolarHBondContact OG-N 3.02Å; S465-D468 PolarHBondContact OG-OD2 3.43Å; S465-Y469 WeakPolarHBondContact O-CB 3.43Å; S465-Y469 PolarHBondContact O-N 3.38Å
466	K	35	Very low	47.5	Very low	148 Å²	148	78.6 Å²	78.6	64%	0.643	40%	0.397	S	S	*	.	H	α-helix	trans	-48.6	-31.2	153.2	-122	174.9	-175.3	171.1	0	112.3	Y470	K466-Y470 WeakPolarHBondContact O-CD2 3.28Å; K466-Y470 WeakPolarHBondContact O-CE2 3.44Å; K466-Y470 PolarHBondContact O-N 2.92Å
467	S	34.4	Very low	45.5	Very low	79 Å²	79	76.3 Å²	76.3	55%	0.552	40%	0.395	S	S	*	.	H	α-helix	trans	-63.1	-55.9	175	14.9	0	0	0	0	112.8	S465 Y469 Y470 H471	S465-S467 PolarHBondContact O-N 3.48Å; S465-S467 VanDerWaalsContact O-N 3.14Å; S465-S467 WeakPolarHBondContact OG-CB 3.38Å; S465-S467 PolarHBondContact OG-OG 2.98Å; S467-Y469 VanDerWaalsContact C-N 3.33Å; S467-Y469 PolarHBondContact O-N 2.85Å; S467-Y470 PolarHBondContact O-N 3.1Å; S467-H471 PolarHBondContact O-N 2.76Å
468	D	34.7	Very low	43.3	Very low	97 Å²	97	82 Å²	82	52%	0.519	42%	0.416	S	S	.	.	H	α-helix	trans	-75.2	-27.6	-176.3	-56.2	-43.2	0	0	0	111.5	S465 Y470 H471 L472	S465-D468 WeakPolarHBondContact CB-OD2 3.47Å; S465-D468 PolarHBondContact O-N 3.43Å; S465-D468 WeakPolarHBondContact OG-CB 3.41Å; S465-D468 PolarHBondContact OG-N 3.02Å; S465-D468 PolarHBondContact OG-OD2 3.43Å; D468-Y470 VanDerWaalsContact C-N 3.29Å; D468-Y470 PolarHBondContact O-N 3.5Å; D468-H471 WeakPolarHBondContact O-CA 3.42Å; D468-H471 WeakPolarHBondContact O-CB 3.29Å; D468-H471 PolarHBondContact O-N 3.4Å; D468-L472 PolarHBondContact O-N 2.91Å
469	Y	34.2	Very low	41.6	Very low	48 Å²	48	87.8 Å²	87.8	19%	0.188	44%	0.443	C	S	.	.	H	α-helix	trans	-56.8	-41.3	168.9	-167.5	-95.8	0	0	0	112	W462 S465 S467 H471 S473 T498 E501	W462-Y469 HydrophobicContact CH2-CD2 4.31Å; W462-Y469 AromaticContact CH2-CE2 3.43Å; W462-Y469 HydrophobicContact CH2-CE2 3.43Å; W462-Y469 VanDerWaalsContact CH2-CE2 3.43Å; W462-Y469 AromaticContact CH2-CZ 3.85Å; W462-Y469 HydrophobicContact CZ2-CD2 4.05Å; W462-Y469 HydrophobicContact CZ2-CE1 4.24Å; W462-Y469 AromaticContact CZ2-CE2 3.32Å; W462-Y469 HydrophobicContact CZ2-CE2 3.32Å; W462-Y469 AromaticContact CZ2-CZ 3.43Å; W462-Y469 VanDerWaalsContact CZ2-CZ 3.43Å; W462-Y469 HydrophobicContact CZ3-CE2 4.23Å; S465-Y469 WeakPolarHBondContact O-CB 3.43Å; S465-Y469 PolarHBondContact O-N 3.38Å; S467-Y469 VanDerWaalsContact C-N 3.33Å; S467-Y469 PolarHBondContact O-N 2.85Å; Y469-H471 VanDerWaalsContact C-N 3.26Å; Y469-H471 PolarHBondContact O-N 3.43Å; Y469-S473 VanDerWaalsContact CE1-CB 3.43Å; Y469-S473 WeakPolarHBondContact CE1-OG 3.37Å; Y469-S473 WeakPolarHBondContact O-CA 3.5Å; Y469-S473 WeakPolarHBondContact O-CB 3.49Å; Y469-S473 PolarHBondContact O-N 3.2Å; Y469-S473 PolarHBondContact OH-OG 2.8Å; Y469-T498 PolarHBondContact OH-OG1 3.33Å; Y469-E501 WeakPolarHBondContact OH-CG 3.33Å
470	Y	33.2	Very low	40	Very low	163 Å²	163	87.3 Å²	87.3	64%	0.639	43%	0.433	S	S	*	.	H	α-helix	trans	-69.6	-20.5	173.6	-70.7	-57.5	0	0	0	113.6	K466 S467 D468 G474	K466-Y470 WeakPolarHBondContact O-CD2 3.28Å; K466-Y470 WeakPolarHBondContact O-CE2 3.44Å; K466-Y470 PolarHBondContact O-N 2.92Å; S467-Y470 PolarHBondContact O-N 3.1Å; D468-Y470 VanDerWaalsContact C-N 3.29Å; D468-Y470 PolarHBondContact O-N 3.5Å; Y470-G474 VanDerWaalsContact O-CA 3.23Å; Y470-G474 WeakPolarHBondContact O-CA 3.41Å; Y470-G474 PolarHBondContact O-N 2.87Å
471	H	32.7	Very low	38.3	Very low	145 Å²	145	85.5 Å²	85.5	67%	0.671	43%	0.43	S	S	*	.	H	α-helix	trans	-77.6	-47.3	172.7	-108	-111.3	0	0	0	112.3	S467 D468 Y469 R478	S467-H471 PolarHBondContact O-N 2.76Å; D468-H471 WeakPolarHBondContact O-CA 3.42Å; D468-H471 WeakPolarHBondContact O-CB 3.29Å; D468-H471 PolarHBondContact O-N 3.4Å; Y469-H471 VanDerWaalsContact C-N 3.26Å; Y469-H471 PolarHBondContact O-N 3.43Å; H471-R478 PolarHBondContact O-NH2 2.93Å
472	L	33.7	Very low	37	Very low	119 Å²	119	88.2 Å²	88.2	62%	0.623	45%	0.451	S	S	*	.	H	α-helix	trans	-78.3	-56.6	179.6	-86.8	73.1	0	0	0	112.6	D468 G474 S475	D468-L472 PolarHBondContact O-N 2.91Å; L472-G474 PolarHBondContact O-N 3.37Å; L472-G474 VanDerWaalsContact O-N 3.11Å; L472-S475 WeakPolarHBondContact O-CB 3.34Å; L472-S475 PolarHBondContact O-N 2.89Å
473	S	37.3	Very low	36.4	Very low	9 Å²	9	85.9 Å²	85.9	6%	0.063	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.7	174.4	-164.9	0	0	0	0	111.5	Y469 S475 S477	Y469-S473 VanDerWaalsContact CE1-CB 3.43Å; Y469-S473 WeakPolarHBondContact CE1-OG 3.37Å; Y469-S473 WeakPolarHBondContact O-CA 3.5Å; Y469-S473 WeakPolarHBondContact O-CB 3.49Å; Y469-S473 PolarHBondContact O-N 3.2Å; Y469-S473 PolarHBondContact OH-OG 2.8Å; S473-S475 PolarHBondContact O-N 3.22Å; S473-S477 WeakPolarHBondContact O-CB 3.34Å; S473-S477 PolarHBondContact O-N 3Å; S473-S477 PolarHBondContact O-OG 3.2Å
474	G	33	Very low	36	Very low	10 Å²	10	89.1 Å²	89.1	10%	0.103	45%	0.451	C	S	.	.	H	α-helix	trans	-56	-22.3	167	0	0	0	0	0	114.3	Y470 L472 R478	Y470-G474 VanDerWaalsContact O-CA 3.23Å; Y470-G474 WeakPolarHBondContact O-CA 3.41Å; Y470-G474 PolarHBondContact O-N 2.87Å; L472-G474 PolarHBondContact O-N 3.37Å; L472-G474 VanDerWaalsContact O-N 3.11Å; G474-R478 WeakPolarHBondContact O-CB 3.38Å; G474-R478 WeakPolarHBondContact O-CG 3.23Å; G474-R478 PolarHBondContact O-N 2.86Å; G474-R478 PolarHBondContact O-NE 3.08Å
475	S	38.7	Very low	36.3	Very low	29 Å²	29	84.3 Å²	84.3	20%	0.203	43%	0.426	C	S	.	.	H	α-helix	trans	-67.3	-61.7	176.5	-159.9	0	0	0	0	111.3	L472 S473 S477 R478 H479	L472-S475 WeakPolarHBondContact O-CB 3.34Å; L472-S475 PolarHBondContact O-N 2.89Å; S473-S475 PolarHBondContact O-N 3.22Å; S475-S477 PolarHBondContact O-N 2.88Å; S475-R478 PolarHBondContact O-N 3.28Å; S475-H479 PolarHBondContact O-CD2 2.94Å; S475-H479 VanDerWaalsContact O-CD2 3.23Å; S475-H479 PolarHBondContact O-N 3.48Å
476	L	38.2	Very low	36.5	Very low	12 Å²	12	86.6 Å²	86.6	6%	0.063	44%	0.439	C	S	.	.	H	α-helix	trans	-63.4	-40.6	173.4	-92.6	74.1	0	0	0	111.7	R478 H479 L480 V499 W686 Y687 T692	L476-R478 PolarHBondContact O-N 3.37Å; L476-H479 CarbonylContact O-C 3.25Å; L476-H479 WeakPolarHBondContact O-CA 3.29Å; L476-H479 PolarHBondContact O-N 3Å; L476-L480 WeakPolarHBondContact O-CG 3.31Å; L476-L480 PolarHBondContact O-N 3.12Å; L476-V499 HydrophobicContact CD2-CB 4.19Å; L476-V499 HydrophobicContact CD2-CG2 3.61Å; L476-W686 HydrophobicContact CD1-CH2 3.77Å; L476-W686 HydrophobicContact CD1-CZ3 3.84Å; L476-W686 HydrophobicContact CG-CH2 4.32Å; L476-Y687 HydrophobicContact CD1-CE1 4.37Å; L476-T692 HydrophobicContact CD1-CG2 4.32Å
477	S	41.3	Very low	36.8	Very low	60 Å²	60	84.7 Å²	84.7	42%	0.42	44%	0.441	S	S	.	.	H	α-helix	trans	-67.2	-18.3	-178.1	-56.2	0	0	0	0	114.1	S473 S475	S473-S477 WeakPolarHBondContact O-CB 3.34Å; S473-S477 PolarHBondContact O-N 3Å; S473-S477 PolarHBondContact O-OG 3.2Å; S475-S477 PolarHBondContact O-N 2.88Å
478	R	36.1	Very low	37.4	Very low	179 Å²	179	88 Å²	88	68%	0.675	45%	0.448	S	S	*	.	H	α-helix	trans	-85.1	-18.9	168.3	-78.2	175.6	-77	-160.5	-8.2	113.1	H471 G474 S475 L476	H471-R478 PolarHBondContact O-NH2 2.93Å; G474-R478 WeakPolarHBondContact O-CB 3.38Å; G474-R478 WeakPolarHBondContact O-CG 3.23Å; G474-R478 PolarHBondContact O-N 2.86Å; G474-R478 PolarHBondContact O-NE 3.08Å; S475-R478 PolarHBondContact O-N 3.28Å; L476-R478 PolarHBondContact O-N 3.37Å
479	H	38.4	Very low	38.2	Very low	136 Å²	136	87.4 Å²	87.4	63%	0.63	44%	0.442	S	S	*	.	H	α-helix	trans	-97.6	-14.4	176.1	-70.8	-55.6	0	0	0	114.1	S475 L476 S481	S475-H479 PolarHBondContact O-CD2 2.94Å; S475-H479 VanDerWaalsContact O-CD2 3.23Å; S475-H479 PolarHBondContact O-N 3.48Å; L476-H479 CarbonylContact O-C 3.25Å; L476-H479 WeakPolarHBondContact O-CA 3.29Å; L476-H479 PolarHBondContact O-N 3Å; H479-S481 PolarHBondContact O-N 3.48Å
480	L	39.1	Very low	39.2	Very low	38 Å²	38	86 Å²	86	20%	0.199	44%	0.437	C	S	.	.	S	Bend	trans	-66.9	71.2	158	-63.8	-175.5	0	0	0	109.8	L476 I483 C586	L476-L480 WeakPolarHBondContact O-CG 3.31Å; L476-L480 PolarHBondContact O-N 3.12Å; L480-I483 HydrophobicContact CD2-CD1 4.23Å; L480-C586 HydrophobicContact CD2-CB 3.57Å
481	S	32.1	Very low	40.3	Very low	83 Å²	83	79.6 Å²	79.6	58%	0.58	42%	0.421	S	S	*	.			trans	-47.2	131.7	166.8	63.5	0	0	0	0	108.2	H479 I483	H479-S481 PolarHBondContact O-N 3.48Å; S481-I483 PolarHBondContact O-N 2.9Å
482	P	33.7	Very low	41.2	Very low	119 Å²	119	82 Å²	82	77%	0.773	43%	0.433	S	S	*	.			trans	-50.8	106.4	-157.6	18.8	-32.9	0	0	0	110.7	K484	P482-K484 PolarHBondContact O-N 3.45Å; P482-K484 VanDerWaalsContact O-N 3.17Å
483	I	42.5	Very low	42.6	Very low	29 Å²	29	80.2 Å²	80.2	15%	0.149	43%	0.43	C	S	.	.			trans	-56.6	124.9	-172.8	-78.3	169.3	0	0	0	106.8	L480 S481 H485 L496 C586	L480-I483 HydrophobicContact CD2-CD1 4.23Å; S481-I483 PolarHBondContact O-N 2.9Å; I483-H485 HydrophobicContact CG2-CB 4.49Å; I483-H485 PolarHBondContact O-N 2.69Å; I483-H485 VanDerWaalsContact O-O 3.13Å; I483-L496 HydrophobicContact CB-CD1 4.25Å; I483-L496 HydrophobicContact CD1-CD1 3.48Å; I483-L496 VanDerWaalsContact CD1-CD1 3.48Å; I483-L496 HydrophobicContact CG1-CD1 4.43Å; I483-L496 HydrophobicContact CG2-CD1 4.29Å; I483-C586 HydrophobicContact CD1-CB 4.09Å
484	K	36.2	Very low	44.1	Very low	200 Å²	200	81.3 Å²	81.3	87%	0.87	44%	0.435	S	S	*	.	S	Bend	trans	-67.3	7.7	-161.7	-70.6	-175	176.9	178.4	0	115.5	P482 T486	P482-K484 PolarHBondContact O-N 3.45Å; P482-K484 VanDerWaalsContact O-N 3.17Å; K484-T486 PolarHBondContact O-N 2.92Å
485	H	44.6	Very low	46.1	Very low	39 Å²	39	85.2 Å²	85.2	18%	0.181	45%	0.45	C	S	.	.			trans	-64	112	157.7	-61.7	-47.6	0	0	0	109.3	I483 E489 L490 T580	I483-H485 HydrophobicContact CG2-CB 4.49Å; I483-H485 PolarHBondContact O-N 2.69Å; I483-H485 VanDerWaalsContact O-O 3.13Å; H485-E489 WeakPolarHBondContact CA-OE2 3.39Å; H485-E489 HydrophobicContact CB-CB 4.27Å; H485-E489 IonicContact CE1-OE2 3.93Å; H485-E489 IonicContact CG-OE2 3.65Å; H485-E489 IonicContact ND1-OE2 2.85Å; H485-E489 PolarHBondContact ND1-OE2 3.37Å; H485-L490 HydrophobicContact CB-CD1 3.66Å; H485-T580 PolarHBondContact NE2-OG1 3.13Å
486	T	37.1	Very low	48.1	Very low	76 Å²	76	85.7 Å²	85.7	47%	0.466	45%	0.45	S	S	.	.			trans	-56.7	149.7	164	61	0	0	0	0	109.2	K484 H488 E489	K484-T486 PolarHBondContact O-N 2.92Å; T486-H488 PolarHBondContact O-N 2.85Å; T486-E489 WeakPolarHBondContact CB-OE1 3.48Å; T486-E489 PolarHBondContact N-OE1 3.46Å; T486-E489 PolarHBondContact O-N 3.42Å; T486-E489 PolarHBondContact OG1-OE1 3.42Å
487	P	42.9	Very low	50.2	Low	108 Å²	108	85.2 Å²	85.2	70%	0.701	45%	0.447	S	S	*	.	H	α-helix	trans	-54.2	-20.8	179.5	-28.9	36.2	0	0	0	114.3	E489 G491	P487-E489 VanDerWaalsContact C-N 3.35Å; P487-G491 PolarHBondContact O-N 3.07Å
488	H	46.1	Very low	52.3	Low	149 Å²	149	82.5 Å²	82.5	69%	0.69	43%	0.428	S	S	*	.	H	α-helix	trans	-69.5	-22	176.1	-156.7	-53.7	0	0	0	114.3	T486	T486-H488 PolarHBondContact O-N 2.85Å
489	E	50.6	Low	54.7	Low	84 Å²	84	74 Å²	74	39%	0.393	40%	0.396	S	S	.	.	H	α-helix	trans	-84	-41.4	-173.9	-75.3	160.5	-116.6	0	0	113.7	H485 T486 P487	H485-E489 WeakPolarHBondContact CA-OE2 3.39Å; H485-E489 HydrophobicContact CB-CB 4.27Å; H485-E489 IonicContact CE1-OE2 3.93Å; H485-E489 IonicContact CG-OE2 3.65Å; H485-E489 IonicContact ND1-OE2 2.85Å; H485-E489 PolarHBondContact ND1-OE2 3.37Å; T486-E489 WeakPolarHBondContact CB-OE1 3.48Å; T486-E489 PolarHBondContact N-OE1 3.46Å; T486-E489 PolarHBondContact O-N 3.42Å; T486-E489 PolarHBondContact OG1-OE1 3.42Å; P487-E489 VanDerWaalsContact C-N 3.35Å
490	L	56.5	Low	56.8	Low	18 Å²	18	68.6 Å²	68.6	9%	0.094	37%	0.371	C	S	.	.	H	α-helix	trans	-84.6	-23.2	173.8	-86.2	75.7	0	0	0	112	H485 L494 L496 K552 L566 V578 T580	H485-L490 HydrophobicContact CB-CD1 3.66Å; L490-L494 HydrophobicContact CB-CB 4.24Å; L490-L494 HydrophobicContact CB-CD1 4.28Å; L490-L494 HydrophobicContact CD2-CB 4.31Å; L490-L494 HydrophobicContact CD2-CD1 4.46Å; L490-L494 HydrophobicContact CG-CD1 4.49Å; L490-L496 HydrophobicContact CD2-CD2 3.92Å; L490-L496 HydrophobicContact CD2-CG 4.49Å; L490-K552 PolarHBondContact O-NZ 2.97Å; L490-L566 HydrophobicContact CD1-CD2 4.1Å; L490-L566 HydrophobicContact CG-CD2 4.34Å; L490-V578 HydrophobicContact CD2-CG2 3.89Å; L490-T580 HydrophobicContact CD1-CG2 4.32Å; L490-T580 HydrophobicContact CD2-CG2 4.12Å; L490-T580 HydrophobicContact CG-CG2 4.42Å
491	G	54.7	Low	58.9	Low	29 Å²	29	67.2 Å²	67.2	30%	0.299	36%	0.364	S	S	.	.			trans	82.9	143.9	-167.9	0	0	0	0	0	111.7	P487 S493 L494	P487-G491 PolarHBondContact O-N 3.07Å; G491-S493 PolarHBondContact O-N 3.17Å; G491-L494 PolarHBondContact O-N 3.45Å
492	E	52.3	Low	61.6	Low	196 Å²	196	63.6 Å²	63.6	92%	0.916	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-10	-168.9	-56.9	-177.7	144	0	0	116.1
493	S	64	Low	64.2	Low	82 Å²	82	58 Å²	58	57%	0.573	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-11.5	-176.6	53.5	0	0	0	0	115.1	G491 N576	G491-S493 PolarHBondContact O-N 3.17Å; S493-N576 WeakPolarHBondContact O-CB 3.49Å
494	L	69.1	Low	66.3	Low	31 Å²	31	56.6 Å²	56.6	16%	0.162	29%	0.294	C	S	.	.			trans	-94.4	139.4	-177.7	-65.8	-168.1	0	0	0	113.3	L490 G491 K552 F570 N576 V578	L490-L494 HydrophobicContact CB-CB 4.24Å; L490-L494 HydrophobicContact CB-CD1 4.28Å; L490-L494 HydrophobicContact CD2-CB 4.31Å; L490-L494 HydrophobicContact CD2-CD1 4.46Å; L490-L494 HydrophobicContact CG-CD1 4.49Å; G491-L494 PolarHBondContact O-N 3.45Å; L494-K552 VanDerWaalsContact CD1-NZ 3.29Å; L494-F570 HydrophobicContact CD2-CE1 4.33Å; L494-N576 WeakPolarHBondContact CA-O 3.35Å; L494-N576 HydrophobicContact CD2-CB 3.98Å; L494-N576 WeakPolarHBondContact CD2-O 3.38Å; L494-V578 HydrophobicContact CD1-CG1 4.01Å; L494-V578 HydrophobicContact CD1-CG2 4.04Å; L494-V578 HydrophobicContact CD2-CG1 4.34Å
495	K	75	Confident	68.7	Low	93 Å²	93	48.2 Å²	48.2	40%	0.404	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.5	169.2	-162.6	-142.3	174.8	-160.1	0	109.7	E501 N576 A577 V578	K495-E501 IonicContact NZ-OE1 2.65Å; K495-E501 PolarHBondContact NZ-OE1 2.71Å; K495-E501 IonicContact NZ-OE2 2.67Å; K495-E501 PolarHBondContact NZ-OE2 3.33Å; K495-N576 PolarHBondContact N-O 3.1Å; K495-A577 CarbonylContact O-C 3.58Å; K495-A577 WeakPolarHBondContact O-CA 3.35Å; K495-V578 PolarHBondContact O-N 2.87Å
496	L	80.3	Confident	70.8	Confident	39 Å²	39	46.4 Å²	46.4	20%	0.204	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	138.9	162.8	-67.8	176	0	0	0	110.5	I483 L490 V578 T580	I483-L496 HydrophobicContact CB-CD1 4.25Å; I483-L496 HydrophobicContact CD1-CD1 3.48Å; I483-L496 VanDerWaalsContact CD1-CD1 3.48Å; I483-L496 HydrophobicContact CG1-CD1 4.43Å; I483-L496 HydrophobicContact CG2-CD1 4.29Å; L490-L496 HydrophobicContact CD2-CD2 3.92Å; L490-L496 HydrophobicContact CD2-CG 4.49Å; L496-V578 CarbonylContact C-O 3.52Å; L496-V578 WeakPolarHBondContact CA-O 3.48Å; L496-V578 HydrophobicContact CD2-CG2 4.22Å; L496-T580 HydrophobicContact CD2-CG2 4.25Å
497	L	82.4	Confident	73.4	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-71.5	141.5	172.8	-79.5	164.7	0	0	0	111	E501 I502 L545 F574 A577 V578 V579 L587	L497-E501 HydrophobicContact CD2-CB 3.5Å; L497-E501 VanDerWaalsContact CD2-CB 3.5Å; L497-I502 HydrophobicContact CB-CD1 4.44Å; L497-I502 HydrophobicContact CB-CG1 4.14Å; L497-I502 HydrophobicContact CD1-CG1 4.25Å; L497-L545 HydrophobicContact CD1-CD1 4.14Å; L497-F574 HydrophobicContact CD2-CD2 4.23Å; L497-A577 HydrophobicContact CD2-CB 3.6Å; L497-A577 HydrophobicContact CG-CB 3.77Å; L497-V578 PolarHBondContact N-O 3.48Å; L497-V579 HydrophobicContact CB-CG2 3.9Å; L497-V579 HydrophobicContact CD1-CG2 3.86Å; L497-V579 HydrophobicContact CG-CG2 4.48Å; L497-L587 WeakPolarHBondContact O-CD2 3.35Å
498	T	83.9	Confident	75.6	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.018	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-92.3	165.5	164.7	54.7	0	0	0	0	110.9	Y469 D500 E501 I502	Y469-T498 PolarHBondContact OH-OG1 3.33Å; T498-D500 VanDerWaalsContact C-N 3.28Å; T498-D500 PolarHBondContact O-N 2.96Å; T498-E501 PolarHBondContact N-OE2 3.11Å; T498-E501 PolarHBondContact O-N 2.91Å; T498-E501 VanDerWaalsContact OG1-CD 3.26Å; T498-E501 WeakPolarHBondContact OG1-CG 3.43Å; T498-E501 PolarHBondContact OG1-OE2 2.74Å; T498-I502 PolarHBondContact O-N 2.91Å; T498-I502 VanDerWaalsContact O-N 3.16Å
499	V	86.8	Confident	77.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.4	-43.2	178.3	-178.6	0	0	0	0	110.7	L476 E501 I502 F503 L587 L683 L698	L476-V499 HydrophobicContact CD2-CB 4.19Å; L476-V499 HydrophobicContact CD2-CG2 3.61Å; V499-E501 PolarHBondContact O-N 2.89Å; V499-I502 PolarHBondContact O-N 3.11Å; V499-I502 VanDerWaalsContact O-N 3.13Å; V499-F503 HydrophobicContact CG1-CD2 3.76Å; V499-F503 HydrophobicContact CG1-CE2 4.17Å; V499-F503 WeakPolarHBondContact O-CD2 3.15Å; V499-F503 PolarHBondContact O-N 2.84Å; V499-L587 HydrophobicContact CG2-CB 4.21Å; V499-L587 HydrophobicContact CG2-CD2 3.9Å; V499-L587 WeakPolarHBondContact CG2-O 3.32Å; V499-L683 HydrophobicContact CG1-CD1 4.05Å; V499-L683 HydrophobicContact CG1-CD2 4.07Å; V499-L683 HydrophobicContact CG2-CD2 4.14Å; V499-L698 HydrophobicContact CG1-CD1 3.85Å; V499-L698 HydrophobicContact CG1-CD2 3.7Å; V499-L698 HydrophobicContact CG1-CG 4.49Å
500	D	82.2	Confident	79.8	Confident	22 Å²	22	30.4 Å²	30.4	12%	0.118	16%	0.163	C	C	.	.	H	α-helix	trans	-65.5	-19.4	176.3	-52.3	-90.8	0	0	0	114.3	T498 C504 S695	T498-D500 VanDerWaalsContact C-N 3.28Å; T498-D500 PolarHBondContact O-N 2.96Å; D500-C504 VanDerWaalsContact O-CA 3.25Å; D500-C504 WeakPolarHBondContact O-CA 3.15Å; D500-C504 WeakPolarHBondContact O-CB 3.19Å; D500-C504 PolarHBondContact O-N 3.11Å; D500-S695 VanDerWaalsContact OD1-CB 3.24Å; D500-S695 WeakPolarHBondContact OD1-CB 3.33Å; D500-S695 PolarHBondContact OD1-OG 3.31Å
501	E	84.3	Confident	81.6	Confident	10 Å²	10	29.7 Å²	29.7	5%	0.047	16%	0.16	C	C	.	.	H	α-helix	trans	-90.8	-17.7	174.8	-70	167	140.5	0	0	112.7	W462 Y469 K495 L497 T498 V499 F574	W462-E501 HydrophobicContact CH2-CG 4.01Å; W462-E501 HydrophobicContact CZ2-CG 3.87Å; Y469-E501 WeakPolarHBondContact OH-CG 3.33Å; K495-E501 IonicContact NZ-OE1 2.65Å; K495-E501 PolarHBondContact NZ-OE1 2.71Å; K495-E501 IonicContact NZ-OE2 2.67Å; K495-E501 PolarHBondContact NZ-OE2 3.33Å; L497-E501 HydrophobicContact CD2-CB 3.5Å; L497-E501 VanDerWaalsContact CD2-CB 3.5Å; T498-E501 PolarHBondContact N-OE2 3.11Å; T498-E501 PolarHBondContact O-N 2.91Å; T498-E501 VanDerWaalsContact OG1-CD 3.26Å; T498-E501 WeakPolarHBondContact OG1-CG 3.43Å; T498-E501 PolarHBondContact OG1-OE2 2.74Å; V499-E501 PolarHBondContact O-N 2.89Å; E501-F574 HydrophobicContact CB-CD2 4Å; E501-F574 HydrophobicContact CB-CE2 3.65Å; E501-F574 HydrophobicContact CB-CZ 4.21Å; E501-F574 HydrophobicContact CG-CD2 4.37Å; E501-F574 HydrophobicContact CG-CE1 4.47Å; E501-F574 HydrophobicContact CG-CE2 3.84Å; E501-F574 HydrophobicContact CG-CZ 3.87Å; E501-F574 WeakPolarHBondContact O-CE2 3.26Å
502	I	88.6	Confident	83.4	Confident	7 Å²	7	29.3 Å²	29.3	4%	0.036	15%	0.15	C	C	.	.	H	α-helix	trans	-80.2	-49.3	168.6	-65	169	0	0	0	109.2	L497 T498 V499 C504 L545 V579 L587 M589	L497-I502 HydrophobicContact CB-CD1 4.44Å; L497-I502 HydrophobicContact CB-CG1 4.14Å; L497-I502 HydrophobicContact CD1-CG1 4.25Å; T498-I502 PolarHBondContact O-N 2.91Å; T498-I502 VanDerWaalsContact O-N 3.16Å; V499-I502 PolarHBondContact O-N 3.11Å; V499-I502 VanDerWaalsContact O-N 3.13Å; I502-C504 PolarHBondContact O-N 3.38Å; I502-L545 HydrophobicContact CD1-CD2 4.28Å; I502-L545 HydrophobicContact CG1-CD2 4.37Å; I502-L545 HydrophobicContact CG2-CD2 4.02Å; I502-V579 HydrophobicContact CD1-CG2 3.83Å; I502-V579 HydrophobicContact CG1-CG2 4.5Å; I502-L587 HydrophobicContact CD1-CD1 4.2Å; I502-M589 HydrophobicContact CD1-CE 4.17Å; I502-M589 HydrophobicContact CD1-SD 3.54Å; I502-M589 VanDerWaalsContact CD1-SD 3.54Å; I502-M589 HydrophobicContact CG2-CE 4.41Å
503	F	89	Confident	85.4	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-100.4	54.8	-178.4	-60.2	-73.5	0	0	0	110.9	V499 A541 I542 M589 I679 L683 C697 L698 F701	V499-F503 HydrophobicContact CG1-CD2 3.76Å; V499-F503 HydrophobicContact CG1-CE2 4.17Å; V499-F503 WeakPolarHBondContact O-CD2 3.15Å; V499-F503 PolarHBondContact O-N 2.84Å; F503-A541 HydrophobicContact CD1-CB 3.75Å; F503-A541 HydrophobicContact CE1-CB 3.74Å; F503-I542 HydrophobicContact CE1-CD1 4.43Å; F503-I542 HydrophobicContact CZ-CD1 4.02Å; F503-M589 HydrophobicContact CE2-CE 4.32Å; F503-M589 HydrophobicContact CZ-CE 4.41Å; F503-I679 HydrophobicContact CZ-CG2 4.14Å; F503-L683 HydrophobicContact CD2-CD1 4.38Å; F503-L683 HydrophobicContact CE2-CD1 3.62Å; F503-L683 HydrophobicContact CZ-CD1 4.18Å; F503-C697 PolarHBondContact O-SG 2.79Å; F503-L698 HydrophobicContact CB-CD1 3.61Å; F503-L698 HydrophobicContact CD2-CD1 3.82Å; F503-L698 HydrophobicContact CG-CD1 3.9Å; F503-F701 HydrophobicContact CB-CB 4.21Å; F503-F701 HydrophobicContact CB-CD1 4.14Å; F503-F701 HydrophobicContact CB-CD2 3.72Å; F503-F701 HydrophobicContact CB-CE1 4.48Å; F503-F701 HydrophobicContact CB-CE2 4.11Å; F503-F701 HydrophobicContact CB-CG 3.76Å; F503-F701 HydrophobicContact CB-CZ 4.48Å; F503-F701 HydrophobicContact CD1-CB 3.98Å; F503-F701 AromaticContact CD1-CD1 3.52Å; F503-F701 HydrophobicContact CD1-CD1 3.52Å; F503-F701 HydrophobicContact CD1-CE1 4.14Å; F503-F701 AromaticContact CD1-CG 3.78Å; F503-F701 HydrophobicContact CD1-CG 3.78Å; F503-F701 HydrophobicContact CE1-CD1 4.41Å; F503-F701 HydrophobicContact CG-CB 4.31Å; F503-F701 HydrophobicContact CG-CD1 4.28Å; F503-F701 HydrophobicContact CG-CG 4.16Å; F503-F701 VanDerWaalsContact O-CE2 3.26Å; F503-F701 WeakPolarHBondContact O-CE2 3.39Å
504	C	86.2	Confident	86.9	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.			trans	-95.5	166.2	-168	65.1	0	0	0	0	114.4	D500 I502 A506 Q507 L508 F574 C697	D500-C504 VanDerWaalsContact O-CA 3.25Å; D500-C504 WeakPolarHBondContact O-CA 3.15Å; D500-C504 WeakPolarHBondContact O-CB 3.19Å; D500-C504 PolarHBondContact O-N 3.11Å; I502-C504 PolarHBondContact O-N 3.38Å; C504-A506 PolarHBondContact O-N 3.47Å; C504-A506 VanDerWaalsContact O-N 3.16Å; C504-Q507 VanDerWaalsContact O-CB 3.32Å; C504-Q507 WeakPolarHBondContact O-CB 3.49Å; C504-Q507 PolarHBondContact O-N 3.5Å; C504-L508 PolarHBondContact O-N 3.1Å; C504-F574 HydrophobicContact CB-CE2 4.07Å; C504-F574 HydrophobicContact CB-CZ 4.45Å; C504-C697 VanDerWaalsContact C-SG 3.6Å
505	P	85.5	Confident	88.1	Confident	25 Å²	25	15.3 Å²	15.3	16%	0.162	8%	0.075	C	C	.	.	H	α-helix	trans	-60.4	-26.2	179.5	-24.2	34.3	0	0	0	114.8	Y457 Q507 L508 K509 C697	Y457-P505 HydrophobicContact CD1-CB 4.32Å; Y457-P505 HydrophobicContact CE1-CB 3.9Å; P505-Q507 VanDerWaalsContact C-N 3.29Å; P505-Q507 PolarHBondContact O-N 2.95Å; P505-L508 WeakPolarHBondContact O-CB 3.43Å; P505-L508 PolarHBondContact O-N 3.26Å; P505-K509 PolarHBondContact O-N 3.44Å; P505-C697 HydrophobicContact CG-CB 4.4Å
506	A	89	Confident	88.9	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58.3	-40.5	170.6	0	0	0	0	0	112.2	A454 Q458 C504 K509 F510 W573	A454-A506 HydrophobicContact CB-CB 4.29Å; A454-A506 VanDerWaalsContact CB-O 3.26Å; A454-A506 WeakPolarHBondContact CB-O 3.37Å; Q458-A506 HydrophobicContact CB-CB 4.02Å; Q458-A506 HydrophobicContact CG-CB 4.2Å; C504-A506 PolarHBondContact O-N 3.47Å; C504-A506 VanDerWaalsContact O-N 3.16Å; A506-K509 PolarHBondContact O-N 3.32Å; A506-F510 WeakPolarHBondContact O-CB 3.23Å; A506-F510 PolarHBondContact O-N 2.86Å; A506-W573 HydrophobicContact CB-CB 4.08Å; A506-W573 HydrophobicContact CB-CD2 3.61Å; A506-W573 HydrophobicContact CB-CE3 3.84Å; A506-W573 HydrophobicContact CB-CG 3.72Å
507	Q	91.5	Very high	89.5	Confident	1 Å²	1	10.4 Å²	10.4	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-68.7	-36.6	178.9	-174	69.1	54.2	0	0	111.6	C504 P505 T511 A541 M544 W573 F701	C504-Q507 VanDerWaalsContact O-CB 3.32Å; C504-Q507 WeakPolarHBondContact O-CB 3.49Å; C504-Q507 PolarHBondContact O-N 3.5Å; P505-Q507 VanDerWaalsContact C-N 3.29Å; P505-Q507 PolarHBondContact O-N 2.95Å; Q507-T511 WeakPolarHBondContact O-CB 3.27Å; Q507-T511 PolarHBondContact O-N 3.39Å; Q507-T511 PolarHBondContact O-OG1 2.68Å; Q507-A541 HydrophobicContact CG-CB 4Å; Q507-M544 PolarHBondContact NE2-SD 2.98Å; Q507-M544 VanDerWaalsContact NE2-SD 3.36Å; Q507-W573 HydrophobicContact CB-CZ2 4.38Å; Q507-F701 HydrophobicContact CB-CE1 4.24Å; Q507-F701 HydrophobicContact CB-CZ 3.82Å; Q507-F701 HydrophobicContact CG-CE1 3.71Å; Q507-F701 HydrophobicContact CG-CZ 3.81Å
508	L	90.6	Very high	90	Very high	34 Å²	34	10.3 Å²	10.3	18%	0.178	5%	0.052	C	C	.	.	H	α-helix	trans	-60.4	-54.3	169.9	-60.6	178.2	0	0	0	110.5	C504 P505 F510 T511 H512 L537 F701	C504-L508 PolarHBondContact O-N 3.1Å; P505-L508 WeakPolarHBondContact O-CB 3.43Å; P505-L508 PolarHBondContact O-N 3.26Å; L508-F510 PolarHBondContact O-N 3.44Å; L508-T511 PolarHBondContact O-N 3.01Å; L508-H512 PolarHBondContact O-N 3.41Å; L508-L537 HydrophobicContact CD2-CD1 3.35Å; L508-L537 HydrophobicContact CD2-CD2 3.83Å; L508-L537 HydrophobicContact CD2-CG 4.23Å; L508-F701 HydrophobicContact CD1-CE2 4.45Å; L508-F701 HydrophobicContact CD2-CD2 4.32Å; L508-F701 HydrophobicContact CD2-CE1 4.48Å; L508-F701 HydrophobicContact CD2-CE2 3.51Å; L508-F701 HydrophobicContact CD2-CZ 3.59Å; L508-F701 HydrophobicContact CG-CE2 3.79Å; L508-F701 HydrophobicContact CG-CZ 3.93Å
509	K	90.2	Very high	90.3	Very high	45 Å²	45	13.2 Å²	13.2	20%	0.196	7%	0.066	C	C	.	.	H	α-helix	trans	-61.9	-42.6	-177.7	-176.4	61.9	166.6	169.1	0	112.2	A454 Y457 P505 A506 T511 H512 E513	A454-K509 HydrophobicContact CB-CB 4.44Å; Y457-K509 HydrophobicContact CD1-CB 3.75Å; Y457-K509 HydrophobicContact CD1-CG 4.18Å; Y457-K509 HydrophobicContact CD2-CD 4.21Å; Y457-K509 HydrophobicContact CD2-CG 4.4Å; Y457-K509 HydrophobicContact CE1-CB 4.33Å; Y457-K509 HydrophobicContact CG-CB 3.99Å; Y457-K509 HydrophobicContact CG-CD 4.19Å; Y457-K509 HydrophobicContact CG-CG 3.87Å; P505-K509 PolarHBondContact O-N 3.44Å; A506-K509 PolarHBondContact O-N 3.32Å; K509-T511 VanDerWaalsContact C-N 3.31Å; K509-T511 PolarHBondContact O-N 3.24Å; K509-H512 PolarHBondContact O-N 3.39Å; K509-E513 HydrophobicContact CD-CG 4.04Å; K509-E513 VanDerWaalsContact CE-OE1 3.29Å; K509-E513 WeakPolarHBondContact CE-OE1 3.34Å; K509-E513 HydrophobicContact CG-CG 4.26Å; K509-E513 IonicContact NZ-OE1 2.74Å; K509-E513 PolarHBondContact NZ-OE1 2.75Å; K509-E513 WeakPolarHBondContact O-CB 3.28Å; K509-E513 VanDerWaalsContact O-CG 3.31Å; K509-E513 WeakPolarHBondContact O-CG 3.21Å; K509-E513 PolarHBondContact O-N 3.02Å
510	F	94.7	Very high	90.5	Very high	1 Å²	1	14 Å²	14	0%	0.004	7%	0.069	C	C	.	.	H	α-helix	trans	-57.8	-45.5	175.3	174.8	-94.1	0	0	0	111.9	L447 C450 K451 A454 A506 L508 E513 F514 M544 W573 I620	L447-F510 HydrophobicContact CD2-CE2 4.45Å; L447-F510 HydrophobicContact CD2-CZ 3.92Å; C450-F510 HydrophobicContact CB-CD2 3.59Å; C450-F510 HydrophobicContact CB-CE2 3.6Å; K451-F510 HydrophobicContact CG-CD2 4.14Å; K451-F510 HydrophobicContact CG-CE2 3.99Å; A454-F510 HydrophobicContact CB-CB 3.9Å; A506-F510 WeakPolarHBondContact O-CB 3.23Å; A506-F510 PolarHBondContact O-N 2.86Å; L508-F510 PolarHBondContact O-N 3.44Å; F510-E513 PolarHBondContact O-N 2.9Å; F510-F514 WeakPolarHBondContact O-CB 3.47Å; F510-F514 PolarHBondContact O-N 2.61Å; F510-M544 HydrophobicContact CD1-CE 4.11Å; F510-M544 HydrophobicContact CD1-SD 3.67Å; F510-M544 HydrophobicContact CD2-CE 4.41Å; F510-M544 HydrophobicContact CE1-CE 4.02Å; F510-M544 HydrophobicContact CE1-SD 3.56Å; F510-M544 VanDerWaalsContact CE1-SD 3.56Å; F510-M544 HydrophobicContact CE2-CE 4.33Å; F510-M544 HydrophobicContact CG-CE 4.31Å; F510-M544 HydrophobicContact CG-SD 4.41Å; F510-M544 HydrophobicContact CZ-CE 4.14Å; F510-M544 HydrophobicContact CZ-SD 4.22Å; F510-W573 HydrophobicContact CB-CH2 3.45Å; F510-W573 VanDerWaalsContact CB-CH2 3.45Å; F510-W573 HydrophobicContact CB-CZ2 3.93Å; F510-W573 HydrophobicContact CB-CZ3 4.35Å; F510-W573 HydrophobicContact CD1-CH2 4.39Å; F510-W573 AromaticContact CD2-CH2 3.79Å; F510-W573 HydrophobicContact CD2-CH2 3.79Å; F510-W573 AromaticContact CG-CH2 3.61Å; F510-W573 HydrophobicContact CG-CH2 3.61Å; F510-W573 HydrophobicContact CG-CZ2 4.2Å; F510-I620 HydrophobicContact CE1-CD1 4.05Å; F510-I620 HydrophobicContact CZ-CD1 4.06Å
511	T	94.4	Very high	91.1	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.018	6%	0.064	C	C	.	.	H	α-helix	trans	-66.9	-42.3	-178.6	-53.3	0	0	0	0	110.9	Q507 L508 K509 F514 A515 L533 L537 L540	Q507-T511 WeakPolarHBondContact O-CB 3.27Å; Q507-T511 PolarHBondContact O-N 3.39Å; Q507-T511 PolarHBondContact O-OG1 2.68Å; L508-T511 PolarHBondContact O-N 3.01Å; K509-T511 VanDerWaalsContact C-N 3.31Å; K509-T511 PolarHBondContact O-N 3.24Å; T511-F514 PolarHBondContact O-N 3.1Å; T511-A515 WeakPolarHBondContact O-CB 3.46Å; T511-A515 PolarHBondContact O-N 3.34Å; T511-L533 HydrophobicContact CG2-CD2 3.91Å; T511-L537 HydrophobicContact CG2-CD2 3.96Å; T511-L540 HydrophobicContact CG2-CD1 3.61Å
512	H	92.4	Very high	91.4	Very high	21 Å²	21	16.9 Å²	16.9	10%	0.097	8%	0.084	C	C	.	.	H	α-helix	trans	-58.4	-54.2	170.8	173.9	-92.4	0	0	0	112.1	L508 K509 F514 A515 C516	L508-H512 PolarHBondContact O-N 3.41Å; K509-H512 PolarHBondContact O-N 3.39Å; H512-F514 VanDerWaalsContact C-N 3.26Å; H512-F514 PolarHBondContact O-N 2.91Å; H512-A515 PolarHBondContact O-N 3Å; H512-A515 VanDerWaalsContact O-N 3.14Å; H512-C516 PolarHBondContact CE1-SG 2.67Å; H512-C516 VanDerWaalsContact O-CB 3.32Å; H512-C516 WeakPolarHBondContact O-CB 3.2Å; H512-C516 PolarHBondContact O-N 2.89Å; H512-C516 PolarHBondContact O-SG 2.88Å
513	E	92.9	Very high	91.6	Very high	12 Å²	12	24.4 Å²	24.4	6%	0.056	11%	0.112	C	C	.	.	H	α-helix	trans	-60.9	-35.7	-178.8	-68.6	-51.9	117.2	0	0	112.3	Y449 C450 Q453 K509 F510 H517	Y449-E513 PolarHBondContact OH-OE2 3.3Å; C450-E513 HydrophobicContact CB-CB 4.05Å; Q453-E513 HydrophobicContact CB-CG 3.8Å; Q453-E513 HydrophobicContact CG-CG 4.27Å; K509-E513 HydrophobicContact CD-CG 4.04Å; K509-E513 VanDerWaalsContact CE-OE1 3.29Å; K509-E513 WeakPolarHBondContact CE-OE1 3.34Å; K509-E513 HydrophobicContact CG-CG 4.26Å; K509-E513 IonicContact NZ-OE1 2.74Å; K509-E513 PolarHBondContact NZ-OE1 2.75Å; K509-E513 WeakPolarHBondContact O-CB 3.28Å; K509-E513 VanDerWaalsContact O-CG 3.31Å; K509-E513 WeakPolarHBondContact O-CG 3.21Å; K509-E513 PolarHBondContact O-N 3.02Å; F510-E513 PolarHBondContact O-N 2.9Å; E513-H517 PolarHBondContact O-ND1 3.01Å; E513-H517 IonicContact OE2-CE1 3.95Å
514	F	95.6	Very high	91.7	Very high	3 Å²	3	25.1 Å²	25.1	1%	0.013	12%	0.115	C	C	.	.	H	α-helix	trans	-65.1	-50.1	172.9	-174.3	-86.4	0	0	0	111.6	F446 L447 F510 T511 H512 L518 G617 I620 L624 W645	F446-F514 HydrophobicContact CD1-CD2 4.25Å; F446-F514 HydrophobicContact CD1-CE2 4.19Å; F446-F514 AromaticContact CE1-CD2 3.52Å; F446-F514 HydrophobicContact CE1-CD2 3.52Å; F446-F514 AromaticContact CE1-CE2 3.63Å; F446-F514 HydrophobicContact CE1-CE2 3.63Å; F446-F514 HydrophobicContact CE1-CG 4.21Å; F446-F514 HydrophobicContact CE1-CZ 4.38Å; F446-F514 HydrophobicContact CZ-CD2 4.12Å; F446-F514 HydrophobicContact CZ-CG 4.44Å; F446-F514 WeakPolarHBondContact CZ-O 3.41Å; L447-F514 HydrophobicContact CD2-CD2 3.92Å; L447-F514 HydrophobicContact CD2-CE2 3.92Å; F510-F514 WeakPolarHBondContact O-CB 3.47Å; F510-F514 PolarHBondContact O-N 2.61Å; T511-F514 PolarHBondContact O-N 3.1Å; H512-F514 VanDerWaalsContact C-N 3.26Å; H512-F514 PolarHBondContact O-N 2.91Å; F514-L518 HydrophobicContact CD1-CD1 4.07Å; F514-L518 HydrophobicContact CE1-CD1 3.78Å; F514-L518 VanDerWaalsContact O-CG 3.24Å; F514-L518 WeakPolarHBondContact O-CG 3.48Å; F514-G617 WeakPolarHBondContact CZ-O 3.32Å; F514-I620 HydrophobicContact CD1-CG2 3.52Å; F514-I620 HydrophobicContact CD2-CD1 4.44Å; F514-I620 HydrophobicContact CD2-CG2 4.24Å; F514-I620 HydrophobicContact CE1-CB 4Å; F514-I620 HydrophobicContact CE1-CG2 3.39Å; F514-I620 HydrophobicContact CE2-CB 4.21Å; F514-I620 HydrophobicContact CE2-CD1 4.3Å; F514-I620 HydrophobicContact CE2-CG2 4.12Å; F514-I620 HydrophobicContact CG-CG2 3.96Å; F514-I620 HydrophobicContact CZ-CB 3.83Å; F514-I620 HydrophobicContact CZ-CG2 3.71Å; F514-L624 HydrophobicContact CD1-CD2 4.33Å; F514-L624 HydrophobicContact CE1-CD2 4.49Å; F514-W645 HydrophobicContact CZ-CH2 4.45Å
515	A	95.7	Very high	92	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.7	-44.8	-176.6	0	0	0	0	0	113.1	T511 H512 H517 L518 F521 L533 L624	T511-A515 WeakPolarHBondContact O-CB 3.46Å; T511-A515 PolarHBondContact O-N 3.34Å; H512-A515 PolarHBondContact O-N 3Å; H512-A515 VanDerWaalsContact O-N 3.14Å; A515-H517 PolarHBondContact O-N 3.24Å; A515-H517 VanDerWaalsContact O-N 3.12Å; A515-L518 WeakPolarHBondContact O-CB 3.49Å; A515-L518 WeakPolarHBondContact O-CG 3.2Å; A515-L518 PolarHBondContact O-N 3.05Å; A515-F521 HydrophobicContact CB-CD1 3.99Å; A515-F521 HydrophobicContact CB-CD2 3.99Å; A515-F521 HydrophobicContact CB-CE1 3.98Å; A515-F521 HydrophobicContact CB-CE2 3.98Å; A515-F521 HydrophobicContact CB-CG 3.99Å; A515-F521 HydrophobicContact CB-CZ 3.98Å; A515-F521 VanDerWaalsContact O-CB 3.28Å; A515-F521 WeakPolarHBondContact O-CB 3.37Å; A515-L533 HydrophobicContact CB-CD2 3.7Å; A515-L624 HydrophobicContact CB-CD1 4.35Å; A515-L624 HydrophobicContact CB-CD2 3.73Å
516	C	91.8	Very high	92.2	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.034	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-4.9	-171.6	75.3	0	0	0	0	114.5	R177 H512	R177-C516 PolarHBondContact NH1-O 3.18Å; R177-C516 PolarHBondContact NH2-O 3.23Å; R177-C516 PolarHBondContact NH2-SG 3.1Å; H512-C516 PolarHBondContact CE1-SG 2.67Å; H512-C516 VanDerWaalsContact O-CB 3.32Å; H512-C516 WeakPolarHBondContact O-CB 3.2Å; H512-C516 PolarHBondContact O-N 2.89Å; H512-C516 PolarHBondContact O-SG 2.88Å
517	H	91.9	Very high	92.2	Very high	25 Å²	25	35.2 Å²	35.2	12%	0.116	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	4.3	171.7	-69.5	91.8	0	0	0	113.4	S416 L417 F446 Y449 E513 A515	S416-H517 WeakPolarHBondContact CA-O 3.41Å; L417-H517 PolarHBondContact N-O 3.47Å; F446-H517 HydrophobicContact CE2-CB 3.59Å; F446-H517 AromaticContact CE2-CG 3.99Å; F446-H517 HydrophobicContact CZ-CB 3.81Å; Y449-H517 AromaticContact CE1-CE1 3.68Å; E513-H517 PolarHBondContact O-ND1 3.01Å; E513-H517 IonicContact OE2-CE1 3.95Å; A515-H517 PolarHBondContact O-N 3.24Å; A515-H517 VanDerWaalsContact O-N 3.12Å
518	L	93	Very high	92.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-95.4	121.4	176.7	-44.9	177	0	0	0	109.3	L417 F446 F514 A515 Q520 F521 I522 L624 F625 W645	L417-L518 HydrophobicContact CB-CD2 4.01Å; L417-L518 HydrophobicContact CD1-CD2 4.15Å; L417-L518 HydrophobicContact CG-CD2 4.47Å; F446-L518 HydrophobicContact CE1-CD2 4.23Å; F446-L518 HydrophobicContact CZ-CD2 4.34Å; F514-L518 HydrophobicContact CD1-CD1 4.07Å; F514-L518 HydrophobicContact CE1-CD1 3.78Å; F514-L518 VanDerWaalsContact O-CG 3.24Å; F514-L518 WeakPolarHBondContact O-CG 3.48Å; A515-L518 WeakPolarHBondContact O-CB 3.49Å; A515-L518 WeakPolarHBondContact O-CG 3.2Å; A515-L518 PolarHBondContact O-N 3.05Å; L518-Q520 PolarHBondContact O-N 3.43Å; L518-F521 HydrophobicContact CB-CB 4.03Å; L518-F521 WeakPolarHBondContact O-CB 3.34Å; L518-F521 PolarHBondContact O-N 2.84Å; L518-I522 PolarHBondContact O-N 3.25Å; L518-L624 HydrophobicContact CD1-CD2 3.78Å; L518-F625 HydrophobicContact CD1-CE2 3.83Å; L518-F625 HydrophobicContact CD1-CZ 4.28Å; L518-W645 HydrophobicContact CD1-CH2 4.33Å; L518-W645 HydrophobicContact CD1-CZ2 3.81Å; L518-W645 HydrophobicContact CD2-CH2 3.82Å; L518-W645 HydrophobicContact CD2-CZ2 3.86Å; L518-W645 HydrophobicContact CG-CZ2 4.28Å
519	E	89.7	Confident	92.5	Very high	64 Å²	64	35 Å²	35	30%	0.299	16%	0.164	S	C	.	.	H	α-helix	trans	-60.7	-32.1	-178.8	-162.1	-166.7	155.9	0	0	112	L417 T418 F521 R523	L417-E519 PolarHBondContact O-N 2.76Å; L417-E519 VanDerWaalsContact O-N 3.16Å; T418-E519 WeakPolarHBondContact CB-OE2 3.26Å; T418-E519 WeakPolarHBondContact CG2-OE2 3.5Å; T418-E519 PolarHBondContact OG1-OE2 3.45Å; E519-F521 VanDerWaalsContact C-N 3.33Å; E519-F521 PolarHBondContact O-N 3.27Å; E519-R523 VanDerWaalsContact O-CD 3.25Å; E519-R523 WeakPolarHBondContact O-CD 3.43Å; E519-R523 WeakPolarHBondContact O-CG 3.24Å; E519-R523 PolarHBondContact O-N 3.09Å; E519-R523 IonicContact OE1-CZ 3.39Å; E519-R523 IonicContact OE1-NE 2.81Å; E519-R523 PolarHBondContact OE1-NE 3.18Å; E519-R523 IonicContact OE1-NH2 3.21Å; E519-R523 PolarHBondContact OE1-NH2 3.25Å
520	Q	91.5	Very high	92.4	Very high	15 Å²	15	34.2 Å²	34.2	7%	0.07	17%	0.166	C	C	.	.	H	α-helix	trans	-68.6	-29.8	177	-62.3	72.2	20.2	0	0	112.4	L419 L518 F625 F637 T641	L419-Q520 VanDerWaalsContact N-NE2 3.15Å; L419-Q520 PolarHBondContact O-NE2 3.44Å; L518-Q520 PolarHBondContact O-N 3.43Å; Q520-F625 HydrophobicContact CB-CZ 4.11Å; Q520-F637 HydrophobicContact CB-CE1 4.47Å; Q520-F637 HydrophobicContact CB-CZ 4.38Å; Q520-F637 VanDerWaalsContact O-CE1 3.24Å; Q520-F637 WeakPolarHBondContact O-CE1 3Å; Q520-F637 WeakPolarHBondContact O-CZ 3.24Å; Q520-T641 HydrophobicContact CB-CG2 3.62Å; Q520-T641 HydrophobicContact CG-CG2 3.96Å
521	F	94.2	Very high	92.3	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.018	17%	0.167	C	C	.	.	H	α-helix	trans	-75.6	-46.7	178.7	-174	-96.5	0	0	0	111.3	A515 L518 E519 R523 L524 Q529 L532 L533 L624 F625	A515-F521 HydrophobicContact CB-CD1 3.99Å; A515-F521 HydrophobicContact CB-CD2 3.99Å; A515-F521 HydrophobicContact CB-CE1 3.98Å; A515-F521 HydrophobicContact CB-CE2 3.98Å; A515-F521 HydrophobicContact CB-CG 3.99Å; A515-F521 HydrophobicContact CB-CZ 3.98Å; A515-F521 VanDerWaalsContact O-CB 3.28Å; A515-F521 WeakPolarHBondContact O-CB 3.37Å; L518-F521 HydrophobicContact CB-CB 4.03Å; L518-F521 WeakPolarHBondContact O-CB 3.34Å; L518-F521 PolarHBondContact O-N 2.84Å; E519-F521 VanDerWaalsContact C-N 3.33Å; E519-F521 PolarHBondContact O-N 3.27Å; F521-R523 PolarHBondContact O-N 2.98Å; F521-R523 VanDerWaalsContact O-N 3.1Å; F521-L524 WeakPolarHBondContact O-CB 3.49Å; F521-L524 PolarHBondContact O-N 2.83Å; F521-Q529 HydrophobicContact CD1-CG 4.05Å; F521-Q529 HydrophobicContact CD2-CG 4.49Å; F521-Q529 HydrophobicContact CE1-CB 3.79Å; F521-Q529 HydrophobicContact CE1-CG 3.59Å; F521-Q529 VanDerWaalsContact CE1-OE1 3.26Å; F521-Q529 HydrophobicContact CE2-CB 4.1Å; F521-Q529 HydrophobicContact CE2-CG 4.08Å; F521-Q529 HydrophobicContact CG-CG 4.48Å; F521-Q529 HydrophobicContact CZ-CB 3.42Å; F521-Q529 VanDerWaalsContact CZ-CB 3.42Å; F521-Q529 HydrophobicContact CZ-CG 3.6Å; F521-Q529 WeakPolarHBondContact CZ-O 3.28Å; F521-Q529 PolarHBondContact O-NE2 2.96Å; F521-L532 HydrophobicContact CE2-CB 4.4Å; F521-L533 HydrophobicContact CE1-CD1 4.31Å; F521-L533 HydrophobicContact CE2-CG 4.15Å; F521-L533 HydrophobicContact CZ-CD1 3.7Å; F521-L533 HydrophobicContact CZ-CD2 4.27Å; F521-L533 HydrophobicContact CZ-CG 3.65Å; F521-L624 HydrophobicContact CD2-CD2 4.26Å; F521-L624 HydrophobicContact CE2-CD1 4.35Å; F521-F625 HydrophobicContact CB-CE1 4.39Å; F521-F625 HydrophobicContact CB-CZ 3.91Å; F521-F625 HydrophobicContact CD2-CE1 4.3Å; F521-F625 HydrophobicContact CD2-CZ 4.32Å
522	I	91.6	Very high	92.3	Very high	90 Å²	90	34.3 Å²	34.3	46%	0.462	17%	0.166	S	C	.	.	H	α-helix	trans	-59.9	-25.5	-179.9	-57.2	163.4	0	0	0	111.9	L518	L518-I522 PolarHBondContact O-N 3.25Å
523	R	92.1	Very high	92.3	Very high	165 Å²	165	33.9 Å²	33.9	62%	0.623	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-9.8	178.1	-72.8	166.2	174.1	-136	6.1	115	E519 F521 F637	E519-R523 VanDerWaalsContact O-CD 3.25Å; E519-R523 WeakPolarHBondContact O-CD 3.43Å; E519-R523 WeakPolarHBondContact O-CG 3.24Å; E519-R523 PolarHBondContact O-N 3.09Å; E519-R523 IonicContact OE1-CZ 3.39Å; E519-R523 IonicContact OE1-NE 2.81Å; E519-R523 PolarHBondContact OE1-NE 3.18Å; E519-R523 IonicContact OE1-NH2 3.21Å; E519-R523 PolarHBondContact OE1-NH2 3.25Å; F521-R523 PolarHBondContact O-N 2.98Å; F521-R523 VanDerWaalsContact O-N 3.1Å; R523-F637 HydrophobicContact CB-CZ 4.05Å
524	L	92.1	Very high	92.2	Very high	14 Å²	14	36 Å²	36	7%	0.073	17%	0.172	C	C	.	.	S	Bend	trans	-81.6	163.6	177	-78.2	170.7	0	0	0	111.9	F521 D528 Q529 L532 F625 F637 V638	F521-L524 WeakPolarHBondContact O-CB 3.49Å; F521-L524 PolarHBondContact O-N 2.83Å; L524-D528 HydrophobicContact CB-CB 4.04Å; L524-D528 HydrophobicContact CD1-CB 4.38Å; L524-D528 HydrophobicContact CD2-CB 4.08Å; L524-D528 HydrophobicContact CG-CB 4.41Å; L524-Q529 HydrophobicContact CB-CG 3.88Å; L524-Q529 PolarHBondContact O-NE2 3.46Å; L524-L532 HydrophobicContact CD1-CD1 3.48Å; L524-L532 VanDerWaalsContact CD1-CD1 3.48Å; L524-F625 HydrophobicContact CD1-CE1 4.06Å; L524-F637 HydrophobicContact CD2-CD1 3.55Å; L524-F637 HydrophobicContact CD2-CE1 4Å; L524-F637 HydrophobicContact CD2-CG 4.33Å; L524-F637 HydrophobicContact CG-CD1 4.03Å; L524-F637 HydrophobicContact CG-CE1 3.95Å; L524-V638 HydrophobicContact CD1-CG2 4.34Å; L524-V638 HydrophobicContact CD2-CG2 4.1Å
525	S	91.1	Very high	92.1	Very high	46 Å²	46	36.4 Å²	36.4	32%	0.322	17%	0.174	S	C	.	.			trans	-65.8	155.6	170.2	77.3	0	0	0	0	111.1	H527 D528 Q529	S525-H527 PolarHBondContact O-N 3.01Å; S525-D528 WeakPolarHBondContact CB-OD2 3.4Å; S525-D528 PolarHBondContact O-N 3.44Å; S525-D528 PolarHBondContact OG-N 3.44Å; S525-D528 VanDerWaalsContact OG-N 3.1Å; S525-D528 PolarHBondContact OG-OD2 3.44Å; S525-Q529 WeakPolarHBondContact O-CB 3.32Å; S525-Q529 WeakPolarHBondContact O-CG 3.39Å; S525-Q529 PolarHBondContact O-N 3.22Å
526	Q	89.3	Confident	92	Very high	101 Å²	101	36.4 Å²	36.4	47%	0.472	17%	0.174	S	C	.	.	H	α-helix	trans	-58.2	-37.2	177.5	-61.9	-175.2	-17.2	0	0	111.7	I174 Q529 A530	I174-Q526 HydrophobicContact CD1-CG 4.07Å; Q526-Q529 WeakPolarHBondContact O-CB 3.38Å; Q526-Q529 PolarHBondContact O-N 3.43Å; Q526-A530 WeakPolarHBondContact O-CB 3.46Å; Q526-A530 PolarHBondContact O-N 2.94Å
527	H	90.7	Very high	92.1	Very high	90 Å²	90	36.6 Å²	36.6	42%	0.417	18%	0.175	S	C	.	.	H	α-helix	trans	-60.1	-50	174	176.2	97.4	0	0	0	112.5	S525 Q529 A530 I531 D631 L633	S525-H527 PolarHBondContact O-N 3.01Å; H527-Q529 VanDerWaalsContact C-N 3.34Å; H527-Q529 PolarHBondContact O-N 3.47Å; H527-A530 PolarHBondContact O-N 2.91Å; H527-I531 VanDerWaalsContact NE2-CD1 3.29Å; H527-I531 WeakPolarHBondContact NE2-CD1 3.32Å; H527-I531 WeakPolarHBondContact O-CG1 3.1Å; H527-I531 PolarHBondContact O-N 3.41Å; H527-I531 VanDerWaalsContact O-N 3.1Å; H527-D631 PolarHBondContact NE2-O 2.83Å; H527-L633 HydrophobicContact CB-CD1 4.31Å
528	D	93.2	Very high	92.2	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-40.5	175.2	-62.9	-55.4	0	0	0	111.6	L524 S525 I531 L532 L632 L633	L524-D528 HydrophobicContact CB-CB 4.04Å; L524-D528 HydrophobicContact CD1-CB 4.38Å; L524-D528 HydrophobicContact CD2-CB 4.08Å; L524-D528 HydrophobicContact CG-CB 4.41Å; S525-D528 WeakPolarHBondContact CB-OD2 3.4Å; S525-D528 PolarHBondContact O-N 3.44Å; S525-D528 PolarHBondContact OG-N 3.44Å; S525-D528 VanDerWaalsContact OG-N 3.1Å; S525-D528 PolarHBondContact OG-OD2 3.44Å; D528-I531 PolarHBondContact O-N 2.97Å; D528-L532 WeakPolarHBondContact O-CB 3.47Å; D528-L532 VanDerWaalsContact O-CG 3.3Å; D528-L532 WeakPolarHBondContact O-CG 3.3Å; D528-L532 PolarHBondContact O-N 3.03Å; D528-L632 HydrophobicContact CB-CD2 4.28Å; D528-L633 PolarHBondContact OD1-N 2.82Å
529	Q	94	Very high	92.3	Very high	28 Å²	28	36.3 Å²	36.3	13%	0.131	17%	0.174	C	C	.	.	H	α-helix	trans	-60.1	-45.1	177.6	-73.7	-178.7	49.5	0	0	111.3	F521 L524 S525 Q526 H527 L533	F521-Q529 HydrophobicContact CD1-CG 4.05Å; F521-Q529 HydrophobicContact CD2-CG 4.49Å; F521-Q529 HydrophobicContact CE1-CB 3.79Å; F521-Q529 HydrophobicContact CE1-CG 3.59Å; F521-Q529 VanDerWaalsContact CE1-OE1 3.26Å; F521-Q529 HydrophobicContact CE2-CB 4.1Å; F521-Q529 HydrophobicContact CE2-CG 4.08Å; F521-Q529 HydrophobicContact CG-CG 4.48Å; F521-Q529 HydrophobicContact CZ-CB 3.42Å; F521-Q529 VanDerWaalsContact CZ-CB 3.42Å; F521-Q529 HydrophobicContact CZ-CG 3.6Å; F521-Q529 WeakPolarHBondContact CZ-O 3.28Å; F521-Q529 PolarHBondContact O-NE2 2.96Å; L524-Q529 HydrophobicContact CB-CG 3.88Å; L524-Q529 PolarHBondContact O-NE2 3.46Å; S525-Q529 WeakPolarHBondContact O-CB 3.32Å; S525-Q529 WeakPolarHBondContact O-CG 3.39Å; S525-Q529 PolarHBondContact O-N 3.22Å; Q526-Q529 WeakPolarHBondContact O-CB 3.38Å; Q526-Q529 PolarHBondContact O-N 3.43Å; H527-Q529 VanDerWaalsContact C-N 3.34Å; H527-Q529 PolarHBondContact O-N 3.47Å; Q529-L533 WeakPolarHBondContact O-CB 3.46Å; Q529-L533 WeakPolarHBondContact O-CG 3.39Å; Q529-L533 PolarHBondContact O-N 3.48Å
530	A	89.4	Confident	92.6	Very high	28 Å²	28	33.3 Å²	33.3	23%	0.231	16%	0.16	C	C	.	.	H	α-helix	trans	-63.5	-46.1	177.6	0	0	0	0	0	112.3	Q526 H527 L533 R534	Q526-A530 WeakPolarHBondContact O-CB 3.46Å; Q526-A530 PolarHBondContact O-N 2.94Å; H527-A530 PolarHBondContact O-N 2.91Å; A530-L533 PolarHBondContact O-N 3.22Å; A530-R534 WeakPolarHBondContact O-CB 3.42Å; A530-R534 PolarHBondContact O-N 3.07Å
531	I	91.5	Very high	92.7	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-50	177.8	-69.3	167.3	0	0	0	111.3	H527 D528 L533 R534 D535 R629 D631 L632	H527-I531 VanDerWaalsContact NE2-CD1 3.29Å; H527-I531 WeakPolarHBondContact NE2-CD1 3.32Å; H527-I531 WeakPolarHBondContact O-CG1 3.1Å; H527-I531 PolarHBondContact O-N 3.41Å; H527-I531 VanDerWaalsContact O-N 3.1Å; D528-I531 PolarHBondContact O-N 2.97Å; I531-L533 VanDerWaalsContact C-N 3.33Å; I531-L533 PolarHBondContact O-N 3.01Å; I531-R534 PolarHBondContact O-N 3.02Å; I531-D535 WeakPolarHBondContact O-CB 3.3Å; I531-D535 PolarHBondContact O-N 3.41Å; I531-R629 HydrophobicContact CG2-CB 3.74Å; I531-R629 HydrophobicContact CG2-CG 4.32Å; I531-D631 HydrophobicContact CD1-CB 3.92Å; I531-L632 HydrophobicContact CB-CD2 4.02Å; I531-L632 HydrophobicContact CD1-CD2 4.45Å; I531-L632 HydrophobicContact CG2-CD2 3.7Å; I531-L632 HydrophobicContact CG2-CG 4.16Å
532	L	94.5	Very high	92.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.8	-36.5	-178.8	-67.6	-175.7	0	0	0	112.2	F521 L524 D528 C536 L624 F625 R629 L632 V638	F521-L532 HydrophobicContact CE2-CB 4.4Å; L524-L532 HydrophobicContact CD1-CD1 3.48Å; L524-L532 VanDerWaalsContact CD1-CD1 3.48Å; D528-L532 WeakPolarHBondContact O-CB 3.47Å; D528-L532 VanDerWaalsContact O-CG 3.3Å; D528-L532 WeakPolarHBondContact O-CG 3.3Å; D528-L532 PolarHBondContact O-N 3.03Å; L532-C536 VanDerWaalsContact O-CB 3.27Å; L532-C536 WeakPolarHBondContact O-CB 3.44Å; L532-C536 PolarHBondContact O-SG 3.23Å; L532-L624 HydrophobicContact CB-CD1 4.31Å; L532-F625 HydrophobicContact CD1-CD1 3.91Å; L532-F625 HydrophobicContact CD1-CE1 4.33Å; L532-R629 HydrophobicContact CD2-CG 4.22Å; L532-L632 HydrophobicContact CD2-CD1 4.01Å; L532-L632 HydrophobicContact CD2-CD2 3.87Å; L532-L632 HydrophobicContact CG-CD2 4.04Å; L532-V638 HydrophobicContact CD1-CG1 4.23Å; L532-V638 HydrophobicContact CD1-CG2 4.01Å; L532-V638 HydrophobicContact CD2-CG1 4.04Å
533	L	93.3	Very high	93	Very high	12 Å²	12	28.3 Å²	28.3	6%	0.063	14%	0.135	C	C	.	.	H	α-helix	trans	-63.1	-64.3	172.1	-79.6	170.4	0	0	0	110.7	F170 T511 A515 F521 Q529 A530 I531 D535 C536 L537 L624	F170-L533 HydrophobicContact CD1-CD1 4.47Å; F170-L533 HydrophobicContact CE1-CD1 3.68Å; F170-L533 HydrophobicContact CZ-CD1 3.88Å; T511-L533 HydrophobicContact CG2-CD2 3.91Å; A515-L533 HydrophobicContact CB-CD2 3.7Å; F521-L533 HydrophobicContact CE1-CD1 4.31Å; F521-L533 HydrophobicContact CE2-CG 4.15Å; F521-L533 HydrophobicContact CZ-CD1 3.7Å; F521-L533 HydrophobicContact CZ-CD2 4.27Å; F521-L533 HydrophobicContact CZ-CG 3.65Å; Q529-L533 WeakPolarHBondContact O-CB 3.46Å; Q529-L533 WeakPolarHBondContact O-CG 3.39Å; Q529-L533 PolarHBondContact O-N 3.48Å; A530-L533 PolarHBondContact O-N 3.22Å; I531-L533 VanDerWaalsContact C-N 3.33Å; I531-L533 PolarHBondContact O-N 3.01Å; L533-D535 PolarHBondContact O-N 3.37Å; L533-C536 PolarHBondContact O-N 3.04Å; L533-C536 PolarHBondContact O-SG 2.99Å; L533-L537 WeakPolarHBondContact O-CG 3.26Å; L533-L537 PolarHBondContact O-N 3.43Å; L533-L624 HydrophobicContact CD2-CD1 4.47Å
534	R	90.4	Very high	93.1	Very high	56 Å²	56	20.8 Å²	20.8	21%	0.211	11%	0.107	C	C	.	.	H	α-helix	trans	-53.8	-54.5	-173.1	-177.2	-165.3	62.9	-133.4	-9.5	112	A530 I531 C536 L537 S705	A530-R534 WeakPolarHBondContact O-CB 3.42Å; A530-R534 PolarHBondContact O-N 3.07Å; I531-R534 PolarHBondContact O-N 3.02Å; R534-C536 PolarHBondContact O-N 3.34Å; R534-L537 VanDerWaalsContact O-CB 3.29Å; R534-L537 WeakPolarHBondContact O-CB 3.29Å; R534-L537 PolarHBondContact O-N 3.04Å; R534-L537 VanDerWaalsContact O-N 3.11Å; R534-S705 PolarHBondContact NH2-OG 3.39Å
535	D	92.2	Very high	93.1	Very high	11 Å²	11	20.4 Å²	20.4	6%	0.059	11%	0.105	C	C	.	.	H	α-helix	trans	-74	-13.3	-171.6	-64.3	-8.5	0	0	0	113.4	I531 L533 R629 S704	I531-D535 WeakPolarHBondContact O-CB 3.3Å; I531-D535 PolarHBondContact O-N 3.41Å; L533-D535 PolarHBondContact O-N 3.37Å; D535-R629 VanDerWaalsContact CB-CD 3.49Å; D535-R629 HydrophobicContact CB-CG 4.16Å; D535-R629 PolarHBondContact O-NH1 2.91Å; D535-R629 VanDerWaalsContact O-NH1 3.11Å; D535-R629 PolarHBondContact O-NH2 2.94Å; D535-S704 VanDerWaalsContact CG-OG 3.25Å; D535-S704 WeakPolarHBondContact OD1-CB 3.35Å; D535-S704 PolarHBondContact OD1-OG 3.19Å
536	C	94.6	Very high	93.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-86.1	-16.7	172.7	86.4	0	0	0	0	113.4	L532 L533 R534 E539 L540 I623	L532-C536 VanDerWaalsContact O-CB 3.27Å; L532-C536 WeakPolarHBondContact O-CB 3.44Å; L532-C536 PolarHBondContact O-SG 3.23Å; L533-C536 PolarHBondContact O-N 3.04Å; L533-C536 PolarHBondContact O-SG 2.99Å; R534-C536 PolarHBondContact O-N 3.34Å; C536-E539 PolarHBondContact O-N 2.78Å; C536-L540 WeakPolarHBondContact O-CG 3.45Å; C536-L540 PolarHBondContact O-N 3.2Å; C536-I623 HydrophobicContact CB-CG2 4.11Å
537	L	94.3	Very high	93.4	Very high	9 Å²	9	16.1 Å²	16.1	5%	0.047	8%	0.078	C	C	.	.	H	α-helix	trans	-56.8	-44.7	-173.1	-74.2	172	0	0	0	114.3	L508 T511 L533 R534 L540 A541 F701	L508-L537 HydrophobicContact CD2-CD1 3.35Å; L508-L537 HydrophobicContact CD2-CD2 3.83Å; L508-L537 HydrophobicContact CD2-CG 4.23Å; T511-L537 HydrophobicContact CG2-CD2 3.96Å; L533-L537 WeakPolarHBondContact O-CG 3.26Å; L533-L537 PolarHBondContact O-N 3.43Å; R534-L537 VanDerWaalsContact O-CB 3.29Å; R534-L537 WeakPolarHBondContact O-CB 3.29Å; R534-L537 PolarHBondContact O-N 3.04Å; R534-L537 VanDerWaalsContact O-N 3.11Å; L537-L540 PolarHBondContact O-N 3.18Å; L537-A541 WeakPolarHBondContact O-CB 3.36Å; L537-A541 PolarHBondContact O-N 3.23Å; L537-F701 HydrophobicContact CB-CD1 3.56Å; L537-F701 HydrophobicContact CB-CE1 3.62Å; L537-F701 HydrophobicContact CB-CG 4.44Å; L537-F701 HydrophobicContact CD1-CD1 4.41Å; L537-F701 HydrophobicContact CD1-CE1 4.33Å; L537-F701 HydrophobicContact CD1-CZ 4.5Å; L537-F701 HydrophobicContact CD2-CE1 4Å; L537-F701 HydrophobicContact CD2-CZ 4.25Å; L537-F701 HydrophobicContact CG-CD1 4.45Å; L537-F701 HydrophobicContact CG-CE1 4.2Å
538	P	93.6	Very high	93.2	Very high	10 Å²	10	13.8 Å²	13.8	7%	0.065	7%	0.067	C	C	.	.	H	α-helix	trans	-69.1	-37.1	-179.6	-23.1	37.3	0	0	0	112.9	I542 A676 F701	P538-I542 WeakPolarHBondContact O-CB 3.48Å; P538-I542 WeakPolarHBondContact O-CG1 3.39Å; P538-I542 PolarHBondContact O-N 2.96Å; P538-I542 VanDerWaalsContact O-N 3.08Å; P538-A676 HydrophobicContact CB-CB 4.25Å; P538-F701 WeakPolarHBondContact CG-O 3.37Å
539	E	95.5	Very high	92.9	Very high	9 Å²	9	13.8 Å²	13.8	4%	0.042	7%	0.067	C	C	.	.	H	α-helix	trans	-61.9	-44.1	173.6	-75.4	174.8	-110.9	0	0	110.4	C536 L543 I623 R629 L672 R673 A676	C536-E539 PolarHBondContact O-N 2.78Å; E539-L543 WeakPolarHBondContact O-CB 3.45Å; E539-L543 PolarHBondContact O-N 2.94Å; E539-I623 HydrophobicContact CB-CG2 3.81Å; E539-R629 IonicContact OE1-CZ 3Å; E539-R629 IonicContact OE1-NH1 3.92Å; E539-R629 PolarHBondContact OE1-NH1 3.37Å; E539-R629 IonicContact OE1-NH2 3.3Å; E539-R629 PolarHBondContact OE1-NH2 3.36Å; E539-L672 HydrophobicContact CB-CD2 4.06Å; E539-L672 HydrophobicContact CB-CG 4.27Å; E539-L672 HydrophobicContact CG-CG 4.38Å; E539-R673 VanDerWaalsContact CD-CG 3.41Å; E539-R673 HydrophobicContact CG-CG 4.08Å; E539-R673 IonicContact OE1-NE 3.85Å; E539-R673 WeakPolarHBondContact OE2-CG 3.42Å; E539-R673 IonicContact OE2-CZ 3.82Å; E539-R673 IonicContact OE2-NE 3.33Å; E539-R673 PolarHBondContact OE2-NE 2.85Å; E539-R673 IonicContact OE2-NH2 2.87Å; E539-A676 HydrophobicContact CG-CB 4.1Å
540	L	95.6	Very high	92.1	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-70.7	-40.2	179.2	-64.4	-177.4	0	0	0	113	T511 C536 L537 L543 M544 I620 I623	T511-L540 HydrophobicContact CG2-CD1 3.61Å; C536-L540 WeakPolarHBondContact O-CG 3.45Å; C536-L540 PolarHBondContact O-N 3.2Å; L537-L540 PolarHBondContact O-N 3.18Å; L540-L543 PolarHBondContact O-N 3.43Å; L540-M544 WeakPolarHBondContact O-CB 3.49Å; L540-M544 VanDerWaalsContact O-CG 3.26Å; L540-M544 WeakPolarHBondContact O-CG 3.29Å; L540-M544 PolarHBondContact O-N 3.31Å; L540-I620 HydrophobicContact CD1-CG2 4.18Å; L540-I620 HydrophobicContact CD2-CB 4.33Å; L540-I620 HydrophobicContact CD2-CG1 4.02Å; L540-I620 HydrophobicContact CD2-CG2 3.94Å; L540-I623 HydrophobicContact CD2-CB 4.18Å; L540-I623 HydrophobicContact CD2-CD1 3.98Å; L540-I623 HydrophobicContact CD2-CG2 3.8Å; L540-I623 HydrophobicContact CG-CG2 4.09Å
541	A	94.4	Very high	91.2	Very high	2 Å²	2	20 Å²	20	2%	0.017	9%	0.088	C	C	.	.	H	α-helix	trans	-59.2	-51.7	176	0	0	0	0	0	111.7	F503 Q507 L537 M544 L545 F701	F503-A541 HydrophobicContact CD1-CB 3.75Å; F503-A541 HydrophobicContact CE1-CB 3.74Å; Q507-A541 HydrophobicContact CG-CB 4Å; L537-A541 WeakPolarHBondContact O-CB 3.36Å; L537-A541 PolarHBondContact O-N 3.23Å; A541-M544 PolarHBondContact O-N 2.95Å; A541-L545 WeakPolarHBondContact O-CB 3.1Å; A541-L545 PolarHBondContact O-N 2.95Å; A541-F701 HydrophobicContact CB-CE1 4.24Å
542	I	94.6	Very high	89.8	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-67.7	-38.4	180	-62.7	-55.8	0	0	0	111.4	F503 P538 C546 M589 L672 A676 I679	F503-I542 HydrophobicContact CE1-CD1 4.43Å; F503-I542 HydrophobicContact CZ-CD1 4.02Å; P538-I542 WeakPolarHBondContact O-CB 3.48Å; P538-I542 WeakPolarHBondContact O-CG1 3.39Å; P538-I542 PolarHBondContact O-N 2.96Å; P538-I542 VanDerWaalsContact O-N 3.08Å; I542-C546 VanDerWaalsContact O-CB 3.23Å; I542-C546 WeakPolarHBondContact O-CB 3.3Å; I542-C546 PolarHBondContact O-N 3.3Å; I542-C546 PolarHBondContact O-SG 3.36Å; I542-M589 HydrophobicContact CD1-CE 3.7Å; I542-L672 HydrophobicContact CB-CD1 4.22Å; I542-L672 HydrophobicContact CG2-CD1 4.01Å; I542-A676 HydrophobicContact CG1-CB 4.46Å; I542-I679 HydrophobicContact CD1-CD1 3.62Å; I542-I679 HydrophobicContact CD1-CG2 4.43Å; I542-I679 HydrophobicContact CG1-CD1 3.97Å; I542-I679 HydrophobicContact CG2-CD1 4.38Å
543	L	95.8	Very high	87.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-42.6	175.4	179.8	63.9	0	0	0	112.1	E539 L540 R547 L606 F616 L619 I623 L672	E539-L543 WeakPolarHBondContact O-CB 3.45Å; E539-L543 PolarHBondContact O-N 2.94Å; L540-L543 PolarHBondContact O-N 3.43Å; L543-R547 WeakPolarHBondContact O-CB 3.19Å; L543-R547 PolarHBondContact O-N 3.45Å; L543-L606 HydrophobicContact CD1-CD1 4.03Å; L543-L606 HydrophobicContact CD1-CD2 3.8Å; L543-F616 HydrophobicContact CD2-CE2 3.87Å; L543-F616 HydrophobicContact CD2-CZ 4.44Å; L543-F616 HydrophobicContact CG-CE2 3.93Å; L543-L619 HydrophobicContact CD2-CD2 4.37Å; L543-I623 HydrophobicContact CD2-CD1 3.6Å; L543-L672 HydrophobicContact CB-CD1 3.9Å; L543-L672 HydrophobicContact CB-CD2 3.9Å; L543-L672 HydrophobicContact CD1-CD2 4.33Å; L543-L672 HydrophobicContact CD2-CD2 4.24Å; L543-L672 HydrophobicContact CG-CD2 4.38Å
544	M	94.3	Very high	85.5	Confident	7 Å²	7	30.7 Å²	30.7	3%	0.034	14%	0.143	C	C	.	.	H	α-helix	trans	-71.7	-41.8	-179.2	-71.8	-176	69.6	0	0	112.1	Q507 F510 L540 A541 R547 P572 W573 F616	Q507-M544 PolarHBondContact NE2-SD 2.98Å; Q507-M544 VanDerWaalsContact NE2-SD 3.36Å; F510-M544 HydrophobicContact CD1-CE 4.11Å; F510-M544 HydrophobicContact CD1-SD 3.67Å; F510-M544 HydrophobicContact CD2-CE 4.41Å; F510-M544 HydrophobicContact CE1-CE 4.02Å; F510-M544 HydrophobicContact CE1-SD 3.56Å; F510-M544 VanDerWaalsContact CE1-SD 3.56Å; F510-M544 HydrophobicContact CE2-CE 4.33Å; F510-M544 HydrophobicContact CG-CE 4.31Å; F510-M544 HydrophobicContact CG-SD 4.41Å; F510-M544 HydrophobicContact CZ-CE 4.14Å; F510-M544 HydrophobicContact CZ-SD 4.22Å; L540-M544 WeakPolarHBondContact O-CB 3.49Å; L540-M544 VanDerWaalsContact O-CG 3.26Å; L540-M544 WeakPolarHBondContact O-CG 3.29Å; L540-M544 PolarHBondContact O-N 3.31Å; A541-M544 PolarHBondContact O-N 2.95Å; M544-R547 PolarHBondContact O-N 3.16Å; M544-P572 HydrophobicContact CB-CG 4.13Å; M544-P572 HydrophobicContact CE-CB 4.4Å; M544-W573 HydrophobicContact CE-CH2 3.41Å; M544-W573 VanDerWaalsContact CE-CH2 3.41Å; M544-W573 HydrophobicContact CE-CZ2 3.36Å; M544-W573 HydrophobicContact CE-CZ3 4.45Å; M544-W573 HydrophobicContact SD-CH2 4.43Å; M544-W573 HydrophobicContact SD-CZ2 3.99Å; M544-F616 HydrophobicContact CG-CZ 3.97Å
545	L	93.6	Very high	82.9	Confident	6 Å²	6	33.9 Å²	33.9	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-45	172.8	-177.8	66.4	0	0	0	111.7	L497 I502 A541 R547 E548 L569	L497-L545 HydrophobicContact CD1-CD1 4.14Å; I502-L545 HydrophobicContact CD1-CD2 4.28Å; I502-L545 HydrophobicContact CG1-CD2 4.37Å; I502-L545 HydrophobicContact CG2-CD2 4.02Å; A541-L545 WeakPolarHBondContact O-CB 3.1Å; A541-L545 PolarHBondContact O-N 2.95Å; L545-R547 VanDerWaalsContact C-N 3.31Å; L545-R547 PolarHBondContact O-N 3.43Å; L545-E548 PolarHBondContact O-N 2.81Å; L545-L569 HydrophobicContact CD1-CB 3.87Å; L545-L569 HydrophobicContact CD2-CD1 4.11Å; L545-L569 HydrophobicContact CG-CB 3.95Å; L545-L569 HydrophobicContact CG-CD1 3.94Å
546	C	94.2	Very high	80.3	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-71.5	-21.9	179.3	-66.6	0	0	0	0	113.6	I542 E548 F602 A603 L606	I542-C546 VanDerWaalsContact O-CB 3.23Å; I542-C546 WeakPolarHBondContact O-CB 3.3Å; I542-C546 PolarHBondContact O-N 3.3Å; I542-C546 PolarHBondContact O-SG 3.36Å; C546-E548 VanDerWaalsContact C-N 3.32Å; C546-F602 HydrophobicContact CB-CD1 3.9Å; C546-F602 HydrophobicContact CB-CE1 3.8Å; C546-A603 HydrophobicContact CB-CB 3.86Å; C546-L606 HydrophobicContact CB-CD2 4.05Å
547	R	92.2	Very high	77.8	Confident	57 Å²	57	43 Å²	43	22%	0.215	22%	0.22	C	C	.	.	H	α-helix	trans	-69.5	-32.4	175.2	-171.2	178.3	-173.1	-155.5	-1.9	111.6	L543 M544 L545 N549 L606 L611 N613	L543-R547 WeakPolarHBondContact O-CB 3.19Å; L543-R547 PolarHBondContact O-N 3.45Å; M544-R547 PolarHBondContact O-N 3.16Å; L545-R547 VanDerWaalsContact C-N 3.31Å; L545-R547 PolarHBondContact O-N 3.43Å; R547-N549 VanDerWaalsContact C-N 3.26Å; R547-N549 PolarHBondContact O-N 2.73Å; R547-L606 HydrophobicContact CB-CD2 4.09Å; R547-L611 PolarHBondContact NH2-O 3.13Å; R547-N613 PolarHBondContact NH1-OD1 3.35Å; R547-N613 PolarHBondContact NH2-OD1 3.32Å
548	E	86.1	Confident	75.4	Confident	41 Å²	41	45.8 Å²	45.8	19%	0.192	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	31.3	179.4	-63.6	-64.7	164.4	0	0	112.9	L545 C546 R550 F570 P572	L545-E548 PolarHBondContact O-N 2.81Å; C546-E548 VanDerWaalsContact C-N 3.32Å; E548-R550 IonicContact OE2-CZ 3.58Å; E548-R550 IonicContact OE2-NE 3.65Å; E548-R550 IonicContact OE2-NH2 2.7Å; E548-R550 PolarHBondContact OE2-NH2 3.23Å; E548-F570 HydrophobicContact CB-CB 4.19Å; E548-F570 WeakPolarHBondContact CB-O 3.39Å; E548-F570 PolarHBondContact O-N 3.39Å; E548-P572 HydrophobicContact CG-CB 4.34Å
549	N	86.3	Confident	72.7	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	128.3	171.5	-176.9	60.1	0	0	0	111.8	R547 N551 L569 A603 Q607	R547-N549 VanDerWaalsContact C-N 3.26Å; R547-N549 PolarHBondContact O-N 2.73Å; N549-N551 PolarHBondContact ND2-OD1 3.46Å; N549-L569 HydrophobicContact CB-CD2 3.78Å; N549-L569 WeakPolarHBondContact OD1-CD2 3.45Å; N549-A603 HydrophobicContact CB-CB 3.88Å; N549-Q607 PolarHBondContact ND2-OE1 2.88Å; N549-Q607 PolarHBondContact O-NE2 3.26Å; N549-Q607 VanDerWaalsContact O-NE2 3.11Å
550	R	78.1	Confident	70	Confident	120 Å²	120	58 Å²	58	45%	0.453	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	133.6	177.1	-48.3	176.5	-169	167.8	1.9	109.8	E548 C568 F570	E548-R550 IonicContact OE2-CZ 3.58Å; E548-R550 IonicContact OE2-NE 3.65Å; E548-R550 IonicContact OE2-NH2 2.7Å; E548-R550 PolarHBondContact OE2-NH2 3.23Å; R550-C568 PolarHBondContact N-O 2.84Å; R550-C568 PolarHBondContact O-N 3.11Å; R550-C568 VanDerWaalsContact O-N 3.09Å; R550-F570 HydrophobicContact CB-CD2 3.9Å; R550-F570 HydrophobicContact CB-CE2 3.72Å; R550-F570 HydrophobicContact CG-CD2 3.85Å; R550-F570 HydrophobicContact CG-CE2 4.13Å
551	N	70.2	Confident	67.3	Low	66 Å²	66	60.6 Å²	60.6	35%	0.353	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	116.2	-178.6	-58.2	-10.6	0	0	0	108.8	N549 Q565	N549-N551 PolarHBondContact ND2-OD1 3.46Å; N551-Q565 HydrophobicContact CB-CG 3.91Å; N551-Q565 PolarHBondContact ND2-NE2 2.87Å
552	K	61.9	Low	64.6	Low	75 Å²	75	66 Å²	66	33%	0.326	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	116.6	169.9	-84.1	-167.3	170.3	-163.6	0	109.6	L490 L494 Q565 L566	L490-K552 PolarHBondContact O-NZ 2.97Å; L494-K552 VanDerWaalsContact CD1-NZ 3.29Å; K552-Q565 CarbonylContact O-C 3.6Å; K552-Q565 WeakPolarHBondContact O-CA 3.26Å; K552-L566 HydrophobicContact CB-CB 4.42Å; K552-L566 PolarHBondContact N-O 3.34Å; K552-L566 PolarHBondContact O-N 3.11Å
553	T	52	Low	62	Low	90 Å²	90	70.7 Å²	70.7	55%	0.552	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	110.3	167.8	45	0	0	0	0	109.7	M555 Q565	T553-M555 PolarHBondContact O-N 3.27Å; T553-Q565 HydrophobicContact CG2-CG 4.36Å
554	H	45	Very low	59.8	Low	78 Å²	78	78.3 Å²	78.3	36%	0.361	42%	0.422	S	S	.	.			trans	-83.1	108.8	175.5	-163.2	-86	0	0	0	110.5	N556 Y564	H554-N556 PolarHBondContact CE1-OD1 2.75Å; H554-N556 PolarHBondContact ND1-OD1 3Å; H554-N556 PolarHBondContact O-N 3.38Å; H554-Y564 PolarHBondContact N-O 3.21Å
555	M	36	Very low	58.1	Low	124 Å²	124	82.9 Å²	82.9	61%	0.611	44%	0.444	S	S	*	.			trans	-85.6	93.8	173.8	-75.4	-73.3	152.6	0	0	109.9	T553 S557 N563	T553-M555 PolarHBondContact O-N 3.27Å; M555-S557 PolarHBondContact O-N 2.72Å; M555-N563 WeakPolarHBondContact CE-OD1 3Å
556	N	38.8	Very low	56.9	Low	69 Å²	69	84.5 Å²	84.5	37%	0.369	45%	0.452	S	S	.	.			trans	-61.8	123.9	168.3	-75.6	-6.7	0	0	0	109.5	H554 S558 S561	H554-N556 PolarHBondContact CE1-OD1 2.75Å; H554-N556 PolarHBondContact ND1-OD1 3Å; H554-N556 PolarHBondContact O-N 3.38Å; N556-S558 PolarHBondContact O-N 3.33Å; N556-S561 WeakPolarHBondContact CB-OG 3.42Å; N556-S561 PolarHBondContact ND2-OG 2.87Å
557	S	42	Very low	56.1	Low	132 Å²	132	86.1 Å²	86.1	92%	0.923	46%	0.461	S	S	*	.	S	Bend	trans	-73.2	26.4	179.2	-43.8	0	0	0	0	114.1	M555	M555-S557 PolarHBondContact O-N 2.72Å
558	S	44.1	Very low	55.8	Low	69 Å²	69	83.4 Å²	83.4	48%	0.483	45%	0.451	S	S	.	.	S	Bend	trans	-133.3	104.3	-177.7	52.1	0	0	0	0	108.8	N556 T560 S561	N556-S558 PolarHBondContact O-N 3.33Å; S558-T560 PolarHBondContact O-N 2.7Å; S558-S561 PolarHBondContact O-OG 3.45Å
559	S	36.9	Very low	56	Low	130 Å²	130	81.5 Å²	81.5	91%	0.909	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	27.1	-152.3	-40.8	0	0	0	0	118
560	T	38.7	Very low	56.1	Low	144 Å²	144	82.5 Å²	82.5	88%	0.883	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.7	14.2	-174.1	48.4	0	0	0	0	114.2	S558	S558-T560 PolarHBondContact O-N 2.7Å
561	S	37.6	Very low	56.5	Low	56 Å²	56	77.5 Å²	77.5	39%	0.392	43%	0.429	S	S	.	.	S	Bend	trans	-119.6	154.5	-178	61.8	0	0	0	0	113.4	N556 S558	N556-S561 WeakPolarHBondContact CB-OG 3.42Å; N556-S561 PolarHBondContact ND2-OG 2.87Å; S558-S561 PolarHBondContact O-OG 3.45Å
562	I	39.3	Very low	57.4	Low	115 Å²	115	75.6 Å²	75.6	59%	0.59	42%	0.42	S	S	*	.			trans	-65.2	134.6	-170.3	-63.6	164.4	0	0	0	111.3	Y564	I562-Y564 HydrophobicContact CB-CD2 4.27Å; I562-Y564 HydrophobicContact CB-CE2 3.82Å; I562-Y564 HydrophobicContact CG2-CD2 4.31Å; I562-Y564 HydrophobicContact CG2-CE2 4.11Å; I562-Y564 VanDerWaalsContact O-CD2 3.24Å; I562-Y564 WeakPolarHBondContact O-CD2 3.43Å; I562-Y564 PolarHBondContact O-N 3.35Å
563	N	39	Very low	58.6	Low	101 Å²	101	72.8 Å²	72.8	54%	0.54	41%	0.408	S	S	.	.			trans	-68.5	91.6	168.2	-78.5	-31.5	0	0	0	110.1	M555 Q565	M555-N563 WeakPolarHBondContact CE-OD1 3Å; N563-Q565 PolarHBondContact O-N 3.08Å
564	Y	48.9	Very low	60.1	Low	160 Å²	160	70 Å²	70	63%	0.627	39%	0.388	S	S	*	.			trans	-72.5	113.6	170	-71.1	-83.9	0	0	0	109.7	H554 I562	H554-Y564 PolarHBondContact N-O 3.21Å; I562-Y564 HydrophobicContact CB-CD2 4.27Å; I562-Y564 HydrophobicContact CB-CE2 3.82Å; I562-Y564 HydrophobicContact CG2-CD2 4.31Å; I562-Y564 HydrophobicContact CG2-CE2 4.11Å; I562-Y564 VanDerWaalsContact O-CD2 3.24Å; I562-Y564 WeakPolarHBondContact O-CD2 3.43Å; I562-Y564 PolarHBondContact O-N 3.35Å
565	Q	60.3	Low	61.4	Low	103 Å²	103	71.9 Å²	71.9	48%	0.481	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	103.7	171.6	-173.6	-171.6	-71.7	0	0	108.9	N551 K552 T553 N563 N567	N551-Q565 HydrophobicContact CB-CG 3.91Å; N551-Q565 PolarHBondContact ND2-NE2 2.87Å; K552-Q565 CarbonylContact O-C 3.6Å; K552-Q565 WeakPolarHBondContact O-CA 3.26Å; T553-Q565 HydrophobicContact CG2-CG 4.36Å; N563-Q565 PolarHBondContact O-N 3.08Å; Q565-N567 PolarHBondContact NE2-OD1 3.23Å; Q565-N567 PolarHBondContact O-N 3.39Å
566	L	67.9	Low	63.2	Low	41 Å²	41	70.5 Å²	70.5	22%	0.215	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	109.2	175.7	-171.6	67.7	0	0	0	109.2	L490 K552 T580	L490-L566 HydrophobicContact CD1-CD2 4.1Å; L490-L566 HydrophobicContact CG-CD2 4.34Å; K552-L566 HydrophobicContact CB-CB 4.42Å; K552-L566 PolarHBondContact N-O 3.34Å; K552-L566 PolarHBondContact O-N 3.11Å; L566-T580 HydrophobicContact CD1-CG2 4.44Å; L566-T580 HydrophobicContact CD2-CG2 4.03Å; L566-T580 HydrophobicContact CG-CG2 4.39Å
567	N	77.1	Confident	65.1	Low	35 Å²	35	67.3 Å²	67.3	19%	0.187	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.5	171.9	-55.5	-30.6	0	0	0	108.7	Q565 F600	Q565-N567 PolarHBondContact NE2-OD1 3.23Å; Q565-N567 PolarHBondContact O-N 3.39Å; N567-F600 VanDerWaalsContact C-CE1 3.47Å; N567-F600 HydrophobicContact CB-CD1 3.48Å; N567-F600 VanDerWaalsContact CB-CD1 3.48Å; N567-F600 HydrophobicContact CB-CE1 3.56Å; N567-F600 HydrophobicContact CB-CG 4.09Å; N567-F600 HydrophobicContact CB-CZ 4.26Å; N567-F600 WeakPolarHBondContact O-CZ 3.34Å
568	C	86.1	Confident	67.2	Low	0 Å²	0	61 Å²	61	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126.9	-176.8	-63.9	0	0	0	0	110	R550 F570 V579	R550-C568 PolarHBondContact N-O 2.84Å; R550-C568 PolarHBondContact O-N 3.11Å; R550-C568 VanDerWaalsContact O-N 3.09Å; C568-F570 HydrophobicContact CB-CD2 4.13Å; C568-F570 HydrophobicContact CB-CE2 3.59Å; C568-F570 HydrophobicContact CB-CZ 4.38Å; C568-V579 WeakPolarHBondContact CA-O 3.34Å
569	L	90.8	Very high	69.2	Low	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.1	165.2	-50.6	-177.8	0	0	0	107.8	L545 N549 V578 V579 I599 F600 A603	L545-L569 HydrophobicContact CD1-CB 3.87Å; L545-L569 HydrophobicContact CD2-CD1 4.11Å; L545-L569 HydrophobicContact CG-CB 3.95Å; L545-L569 HydrophobicContact CG-CD1 3.94Å; N549-L569 HydrophobicContact CB-CD2 3.78Å; N549-L569 WeakPolarHBondContact OD1-CD2 3.45Å; L569-V578 CarbonylContact O-C 3.25Å; L569-V578 VanDerWaalsContact O-CA 3.26Å; L569-V578 WeakPolarHBondContact O-CA 3.35Å; L569-V579 HydrophobicContact CB-CB 4.33Å; L569-V579 PolarHBondContact N-O 2.76Å; L569-V579 PolarHBondContact O-N 2.68Å; L569-I599 HydrophobicContact CD1-CG2 4.1Å; L569-F600 HydrophobicContact CD1-CE1 4.5Å; L569-F600 HydrophobicContact CD2-CD1 3.94Å; L569-F600 HydrophobicContact CD2-CE1 3.55Å; L569-F600 HydrophobicContact CD2-CZ 4.28Å; L569-F600 HydrophobicContact CG-CD1 4.32Å; L569-F600 HydrophobicContact CG-CE1 3.59Å; L569-F600 HydrophobicContact CG-CZ 3.8Å; L569-A603 HydrophobicContact CD2-CB 3.65Å
570	F	88	Confident	71.6	Confident	25 Å²	25	51.6 Å²	51.6	11%	0.11	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	147.7	178.1	-76.5	-106	0	0	0	110.5	L494 E548 R550 C568 V578	L494-F570 HydrophobicContact CD2-CE1 4.33Å; E548-F570 HydrophobicContact CB-CB 4.19Å; E548-F570 WeakPolarHBondContact CB-O 3.39Å; E548-F570 PolarHBondContact O-N 3.39Å; R550-F570 HydrophobicContact CB-CD2 3.9Å; R550-F570 HydrophobicContact CB-CE2 3.72Å; R550-F570 HydrophobicContact CG-CD2 3.85Å; R550-F570 HydrophobicContact CG-CE2 4.13Å; C568-F570 HydrophobicContact CB-CD2 4.13Å; C568-F570 HydrophobicContact CB-CE2 3.59Å; C568-F570 HydrophobicContact CB-CZ 4.38Å; F570-V578 HydrophobicContact CD1-CG1 3.51Å; F570-V578 HydrophobicContact CD2-CG1 4.09Å; F570-V578 HydrophobicContact CE1-CG1 3.44Å; F570-V578 VanDerWaalsContact CE1-CG1 3.44Å; F570-V578 HydrophobicContact CE2-CG1 4.01Å; F570-V578 HydrophobicContact CG-CG1 3.84Å; F570-V578 HydrophobicContact CZ-CG1 3.71Å
571	S	87	Confident	73.7	Confident	15 Å²	15	47.7 Å²	47.7	11%	0.105	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-63.9	134.1	171.3	-166	0	0	0	0	110.8	W573 F574 A577	S571-W573 PolarHBondContact O-N 3.47Å; S571-W573 PolarHBondContact OG-N 3.46Å; S571-W573 VanDerWaalsContact OG-N 3.11Å; S571-F574 WeakPolarHBondContact CB-O 3.01Å; S571-F574 PolarHBondContact OG-N 2.78Å; S571-A577 PolarHBondContact N-O 3.18Å
572	P	87.5	Confident	75.6	Confident	25 Å²	25	47.9 Å²	47.9	16%	0.162	25%	0.251	C	S	.	.	S	Bend	trans	-73	-10.1	164.8	30.2	-33.3	0	0	0	112.7	M544 E548	M544-P572 HydrophobicContact CB-CG 4.13Å; M544-P572 HydrophobicContact CE-CB 4.4Å; E548-P572 HydrophobicContact CG-CB 4.34Å
573	W	88.9	Confident	77.7	Confident	17 Å²	17	42.6 Å²	42.6	6%	0.064	22%	0.224	C	C	.	.	S	Bend	trans	-114.8	-38.6	-171.7	-50.9	125.7	0	0	0	114	K451 A454 A506 Q507 F510 M544 S571	K451-W573 HydrophobicContact CG-CZ3 4.36Å; A454-W573 HydrophobicContact CB-CE3 4.23Å; A454-W573 HydrophobicContact CB-CH2 4.08Å; A454-W573 HydrophobicContact CB-CZ3 3.63Å; A506-W573 HydrophobicContact CB-CB 4.08Å; A506-W573 HydrophobicContact CB-CD2 3.61Å; A506-W573 HydrophobicContact CB-CE3 3.84Å; A506-W573 HydrophobicContact CB-CG 3.72Å; Q507-W573 HydrophobicContact CB-CZ2 4.38Å; F510-W573 HydrophobicContact CB-CH2 3.45Å; F510-W573 VanDerWaalsContact CB-CH2 3.45Å; F510-W573 HydrophobicContact CB-CZ2 3.93Å; F510-W573 HydrophobicContact CB-CZ3 4.35Å; F510-W573 HydrophobicContact CD1-CH2 4.39Å; F510-W573 AromaticContact CD2-CH2 3.79Å; F510-W573 HydrophobicContact CD2-CH2 3.79Å; F510-W573 AromaticContact CG-CH2 3.61Å; F510-W573 HydrophobicContact CG-CH2 3.61Å; F510-W573 HydrophobicContact CG-CZ2 4.2Å; M544-W573 HydrophobicContact CE-CH2 3.41Å; M544-W573 VanDerWaalsContact CE-CH2 3.41Å; M544-W573 HydrophobicContact CE-CZ2 3.36Å; M544-W573 HydrophobicContact CE-CZ3 4.45Å; M544-W573 HydrophobicContact SD-CH2 4.43Å; M544-W573 HydrophobicContact SD-CZ2 3.99Å; S571-W573 PolarHBondContact O-N 3.47Å; S571-W573 PolarHBondContact OG-N 3.46Å; S571-W573 VanDerWaalsContact OG-N 3.11Å
574	F	82.2	Confident	80	Confident	31 Å²	31	37.8 Å²	37.8	14%	0.136	20%	0.198	C	C	.	.	S	Bend	trans	-111.9	107.6	-174.2	-64.1	-85.2	0	0	0	111.5	Q458 W462 L497 E501 C504 S571 N576 A577	Q458-F574 HydrophobicContact CG-CZ 4.49Å; W462-F574 AromaticContact CE2-CE1 3.96Å; W462-F574 AromaticContact CH2-CZ 3.95Å; W462-F574 HydrophobicContact CH2-CZ 3.95Å; W462-F574 AromaticContact CZ2-CE1 3.99Å; W462-F574 HydrophobicContact CZ2-CE1 3.99Å; W462-F574 AromaticContact CZ2-CZ 3.74Å; W462-F574 HydrophobicContact CZ2-CZ 3.74Å; W462-F574 HydrophobicContact CZ3-CZ 4.44Å; L497-F574 HydrophobicContact CD2-CD2 4.23Å; E501-F574 HydrophobicContact CB-CD2 4Å; E501-F574 HydrophobicContact CB-CE2 3.65Å; E501-F574 HydrophobicContact CB-CZ 4.21Å; E501-F574 HydrophobicContact CG-CD2 4.37Å; E501-F574 HydrophobicContact CG-CE1 4.47Å; E501-F574 HydrophobicContact CG-CE2 3.84Å; E501-F574 HydrophobicContact CG-CZ 3.87Å; E501-F574 WeakPolarHBondContact O-CE2 3.26Å; C504-F574 HydrophobicContact CB-CE2 4.07Å; C504-F574 HydrophobicContact CB-CZ 4.45Å; S571-F574 WeakPolarHBondContact CB-O 3.01Å; S571-F574 PolarHBondContact OG-N 2.78Å; F574-N576 PolarHBondContact O-N 3.48Å; F574-A577 HydrophobicContact CB-CB 3.65Å; F574-A577 WeakPolarHBondContact O-CB 3.4Å; F574-A577 PolarHBondContact O-N 2.87Å; F574-A577 VanDerWaalsContact O-N 3.15Å
575	P	73.4	Confident	81.5	Confident	118 Å²	118	34.1 Å²	34.1	77%	0.766	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	137.6	174.6	-26.9	35.5	0	0	0	112.1	A577	P575-A577 PolarHBondContact O-N 2.89Å; P575-A577 VanDerWaalsContact O-N 3.16Å
576	N	71.9	Confident	82.5	Confident	94 Å²	94	31.3 Å²	31.3	50%	0.503	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	10.1	-178.1	-53.6	-22.6	0	0	0	116.3	S493 L494 K495 F574	S493-N576 WeakPolarHBondContact O-CB 3.49Å; L494-N576 WeakPolarHBondContact CA-O 3.35Å; L494-N576 HydrophobicContact CD2-CB 3.98Å; L494-N576 WeakPolarHBondContact CD2-O 3.38Å; K495-N576 PolarHBondContact N-O 3.1Å; F574-N576 PolarHBondContact O-N 3.48Å
577	A	80.3	Confident	83.4	Confident	3 Å²	3	29.5 Å²	29.5	3%	0.025	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.6	171.9	0	0	0	0	0	111.2	K495 L497 S571 F574 P575	K495-A577 CarbonylContact O-C 3.58Å; K495-A577 WeakPolarHBondContact O-CA 3.35Å; L497-A577 HydrophobicContact CD2-CB 3.6Å; L497-A577 HydrophobicContact CG-CB 3.77Å; S571-A577 PolarHBondContact N-O 3.18Å; F574-A577 HydrophobicContact CB-CB 3.65Å; F574-A577 WeakPolarHBondContact O-CB 3.4Å; F574-A577 PolarHBondContact O-N 2.87Å; F574-A577 VanDerWaalsContact O-N 3.15Å; P575-A577 PolarHBondContact O-N 2.89Å; P575-A577 VanDerWaalsContact O-N 3.16Å
578	V	85.6	Confident	83.7	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	160.6	-175.7	-58.6	0	0	0	0	113.7	L490 L494 K495 L496 L497 L569 F570	L490-V578 HydrophobicContact CD2-CG2 3.89Å; L494-V578 HydrophobicContact CD1-CG1 4.01Å; L494-V578 HydrophobicContact CD1-CG2 4.04Å; L494-V578 HydrophobicContact CD2-CG1 4.34Å; K495-V578 PolarHBondContact O-N 2.87Å; L496-V578 CarbonylContact C-O 3.52Å; L496-V578 WeakPolarHBondContact CA-O 3.48Å; L496-V578 HydrophobicContact CD2-CG2 4.22Å; L497-V578 PolarHBondContact N-O 3.48Å; L569-V578 CarbonylContact O-C 3.25Å; L569-V578 VanDerWaalsContact O-CA 3.26Å; L569-V578 WeakPolarHBondContact O-CA 3.35Å; F570-V578 HydrophobicContact CD1-CG1 3.51Å; F570-V578 HydrophobicContact CD2-CG1 4.09Å; F570-V578 HydrophobicContact CE1-CG1 3.44Å; F570-V578 VanDerWaalsContact CE1-CG1 3.44Å; F570-V578 HydrophobicContact CE2-CG1 4.01Å; F570-V578 HydrophobicContact CG-CG1 3.84Å; F570-V578 HydrophobicContact CZ-CG1 3.71Å
579	V	86.8	Confident	83.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.9	161.6	172.4	0	0	0	0	108.3	L497 I502 C568 L569 S583 L584 L587	L497-V579 HydrophobicContact CB-CG2 3.9Å; L497-V579 HydrophobicContact CD1-CG2 3.86Å; L497-V579 HydrophobicContact CG-CG2 4.48Å; I502-V579 HydrophobicContact CD1-CG2 3.83Å; I502-V579 HydrophobicContact CG1-CG2 4.5Å; C568-V579 WeakPolarHBondContact CA-O 3.34Å; L569-V579 HydrophobicContact CB-CB 4.33Å; L569-V579 PolarHBondContact N-O 2.76Å; L569-V579 PolarHBondContact O-N 2.68Å; V579-S583 WeakPolarHBondContact CG1-OG 3.47Å; V579-L584 HydrophobicContact CG1-CD1 4.21Å; V579-L584 HydrophobicContact CG1-CD2 3.55Å; V579-L584 HydrophobicContact CG1-CG 3.46Å; V579-L584 VanDerWaalsContact CG1-CG 3.46Å; V579-L587 HydrophobicContact CG2-CD1 4.13Å
580	T	85.4	Confident	83.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	163.7	167.8	68.1	0	0	0	0	111.1	H485 L490 L496 L566 S582 S583 L584	H485-T580 PolarHBondContact NE2-OG1 3.13Å; L490-T580 HydrophobicContact CD1-CG2 4.32Å; L490-T580 HydrophobicContact CD2-CG2 4.12Å; L490-T580 HydrophobicContact CG-CG2 4.42Å; L496-T580 HydrophobicContact CD2-CG2 4.25Å; L566-T580 HydrophobicContact CD1-CG2 4.44Å; L566-T580 HydrophobicContact CD2-CG2 4.03Å; L566-T580 HydrophobicContact CG-CG2 4.39Å; T580-S582 PolarHBondContact O-N 2.91Å; T580-S583 PolarHBondContact N-OG 2.89Å; T580-S583 PolarHBondContact O-N 2.84Å; T580-S583 PolarHBondContact O-OG 2.97Å; T580-L584 PolarHBondContact O-N 2.91Å
581	D	83.5	Confident	83.6	Confident	62 Å²	62	32.6 Å²	32.6	33%	0.332	19%	0.19	S	C	.	.	H	α-helix	trans	-47.4	-54.6	176.3	-161.6	55.8	0	0	0	112.1	S583 L584 A596 Q597 F600	D581-S583 PolarHBondContact O-N 2.96Å; D581-L584 PolarHBondContact O-N 3.36Å; D581-A596 WeakPolarHBondContact O-CB 3.46Å; D581-A596 WeakPolarHBondContact OD1-CB 3.19Å; D581-Q597 PolarHBondContact OD1-N 3.47Å; D581-F600 HydrophobicContact CB-CD2 4.34Å; D581-F600 HydrophobicContact CB-CE2 4.11Å
582	S	78.1	Confident	83.6	Confident	61 Å²	61	40.3 Å²	40.3	43%	0.427	23%	0.23	S	C	.	.	H	α-helix	trans	-67	-17.2	178.5	-48.7	0	0	0	0	115	T580 C586	T580-S582 PolarHBondContact O-N 2.91Å; S582-C586 PolarHBondContact O-SG 2.68Å; S582-C586 VanDerWaalsContact O-SG 3.32Å
583	S	83.4	Confident	83.5	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-85	-24.9	176.7	71.5	0	0	0	0	113.2	V579 T580 D581 D585 C586 L587	V579-S583 WeakPolarHBondContact CG1-OG 3.47Å; T580-S583 PolarHBondContact N-OG 2.89Å; T580-S583 PolarHBondContact O-N 2.84Å; T580-S583 PolarHBondContact O-OG 2.97Å; D581-S583 PolarHBondContact O-N 2.96Å; S583-D585 VanDerWaalsContact C-N 3.29Å; S583-D585 PolarHBondContact O-N 3.24Å; S583-C586 CarbonylContact O-C 3.35Å; S583-C586 PolarHBondContact O-N 3.19Å; S583-L587 WeakPolarHBondContact O-CB 3.08Å; S583-L587 VanDerWaalsContact O-CG 3.23Å; S583-L587 WeakPolarHBondContact O-CG 3.15Å; S583-L587 PolarHBondContact O-N 2.93Å
584	L	86.1	Confident	83.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.5	-38	178.5	-80.1	168.2	0	0	0	112.3	V579 T580 D581 L587 H588 M589 T590 A596 I599 F600	V579-L584 HydrophobicContact CG1-CD1 4.21Å; V579-L584 HydrophobicContact CG1-CD2 3.55Å; V579-L584 HydrophobicContact CG1-CG 3.46Å; V579-L584 VanDerWaalsContact CG1-CG 3.46Å; T580-L584 PolarHBondContact O-N 2.91Å; D581-L584 PolarHBondContact O-N 3.36Å; L584-L587 PolarHBondContact O-N 3Å; L584-H588 PolarHBondContact O-N 3.49Å; L584-M589 HydrophobicContact CD2-CB 3.91Å; L584-M589 HydrophobicContact CD2-CE 4.43Å; L584-M589 HydrophobicContact CD2-CG 4.43Å; L584-M589 HydrophobicContact CD2-SD 3.81Å; L584-M589 PolarHBondContact O-N 3.03Å; L584-M589 VanDerWaalsContact O-N 3.08Å; L584-T590 HydrophobicContact CB-CG2 3.85Å; L584-A596 HydrophobicContact CB-CB 3.85Å; L584-A596 HydrophobicContact CD1-CB 3.76Å; L584-A596 HydrophobicContact CG-CB 4.42Å; L584-I599 HydrophobicContact CD1-CB 4.23Å; L584-I599 HydrophobicContact CD1-CD1 4.15Å; L584-I599 HydrophobicContact CD1-CG2 4.26Å; L584-I599 HydrophobicContact CD2-CD1 4.16Å; L584-F600 HydrophobicContact CD1-CD2 3.98Å; L584-F600 HydrophobicContact CD1-CE2 3.67Å
585	D	81.9	Confident	83.9	Confident	84 Å²	84	43.6 Å²	43.6	45%	0.449	26%	0.257	S	S	.	.	H	α-helix	trans	-67.1	-43	174.9	-60.7	-24.7	0	0	0	111.7	S583 L587 H588 T590	S583-D585 VanDerWaalsContact C-N 3.29Å; S583-D585 PolarHBondContact O-N 3.24Å; D585-L587 VanDerWaalsContact C-N 3.25Å; D585-L587 PolarHBondContact O-N 3.37Å; D585-H588 PolarHBondContact O-N 3.27Å; D585-H588 VanDerWaalsContact O-N 3.12Å; D585-H588 PolarHBondContact O-ND1 3.25Å; D585-T590 WeakPolarHBondContact CA-OG1 3.48Å; D585-T590 WeakPolarHBondContact OD1-CB 3.25Å; D585-T590 WeakPolarHBondContact OD1-CG2 3.35Å; D585-T590 PolarHBondContact OD1-OG1 3.14Å
586	C	81	Confident	84.8	Confident	44 Å²	44	38.2 Å²	38.2	30%	0.297	22%	0.223	S	C	.	.	H	α-helix	trans	-71.4	-19	178.1	-56.6	0	0	0	0	113.4	L480 I483 S582 S583	L480-C586 HydrophobicContact CD2-CB 3.57Å; I483-C586 HydrophobicContact CD1-CB 4.09Å; S582-C586 PolarHBondContact O-SG 2.68Å; S582-C586 VanDerWaalsContact O-SG 3.32Å; S583-C586 CarbonylContact O-C 3.35Å; S583-C586 PolarHBondContact O-N 3.19Å
587	L	85.4	Confident	85.6	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.01	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	0.9	172.8	-69.5	168.4	0	0	0	112.8	L497 V499 I502 V579 S583 L584 D585 M589 L683	L497-L587 WeakPolarHBondContact O-CD2 3.35Å; V499-L587 HydrophobicContact CG2-CB 4.21Å; V499-L587 HydrophobicContact CG2-CD2 3.9Å; V499-L587 WeakPolarHBondContact CG2-O 3.32Å; I502-L587 HydrophobicContact CD1-CD1 4.2Å; V579-L587 HydrophobicContact CG2-CD1 4.13Å; S583-L587 WeakPolarHBondContact O-CB 3.08Å; S583-L587 VanDerWaalsContact O-CG 3.23Å; S583-L587 WeakPolarHBondContact O-CG 3.15Å; S583-L587 PolarHBondContact O-N 2.93Å; L584-L587 PolarHBondContact O-N 3Å; D585-L587 VanDerWaalsContact C-N 3.25Å; D585-L587 PolarHBondContact O-N 3.37Å; L587-M589 HydrophobicContact CB-CG 4.05Å; L587-M589 HydrophobicContact CB-SD 4.29Å; L587-M589 HydrophobicContact CD1-SD 4.43Å; L587-M589 PolarHBondContact O-N 2.91Å; L587-L683 WeakPolarHBondContact O-CD2 3.35Å
588	H	84.6	Confident	86.2	Confident	60 Å²	60	39.8 Å²	39.8	28%	0.278	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	34	-176.6	-55.6	-59.2	0	0	0	113.7	L584 D585 T590 N682 L683 W686	L584-H588 PolarHBondContact O-N 3.49Å; D585-H588 PolarHBondContact O-N 3.27Å; D585-H588 VanDerWaalsContact O-N 3.12Å; D585-H588 PolarHBondContact O-ND1 3.25Å; H588-T590 VanDerWaalsContact C-N 3.32Å; H588-N682 PolarHBondContact O-ND2 3.44Å; H588-L683 HydrophobicContact CB-CD2 4.42Å; H588-L683 WeakPolarHBondContact O-CD2 3.42Å; H588-W686 HydrophobicContact CB-CB 4.22Å; H588-W686 HydrophobicContact CB-CG 4.02Å; H588-W686 AromaticContact CD2-CD1 3.42Å; H588-W686 VanDerWaalsContact CD2-CD1 3.42Å; H588-W686 AromaticContact CD2-CD2 3.63Å; H588-W686 AromaticContact CD2-CE2 3.3Å; H588-W686 AromaticContact CD2-CG 3.73Å; H588-W686 AromaticContact CD2-CZ2 3.9Å; H588-W686 AromaticContact CD2-NE1 3.13Å; H588-W686 PolarHBondContact CD2-NE1 3.37Å; H588-W686 AromaticContact CE1-CD1 3.88Å; H588-W686 AromaticContact CE1-NE1 3.61Å; H588-W686 AromaticContact CG-CD1 3.47Å; H588-W686 VanDerWaalsContact CG-CD1 3.47Å; H588-W686 AromaticContact CG-CG 3.78Å; H588-W686 AromaticContact CG-NE1 3.69Å; H588-W686 AromaticContact ND1-CD1 3.77Å; H588-W686 AromaticContact ND1-NE1 3.95Å; H588-W686 AromaticContact NE2-CD1 3.67Å; H588-W686 AromaticContact NE2-CE2 3.54Å; H588-W686 AromaticContact NE2-CZ2 3.98Å; H588-W686 AromaticContact NE2-NE1 3.06Å; H588-W686 PolarHBondContact NE2-NE1 3.42Å
589	M	87.9	Confident	86.5	Confident	2 Å²	2	40 Å²	40	1%	0.01	23%	0.231	C	C	.	.			trans	-88.4	-1.7	171.9	-63.1	-177.6	75.2	0	0	112.5	I502 F503 I542 L584 L587 I679 L683	I502-M589 HydrophobicContact CD1-CE 4.17Å; I502-M589 HydrophobicContact CD1-SD 3.54Å; I502-M589 VanDerWaalsContact CD1-SD 3.54Å; I502-M589 HydrophobicContact CG2-CE 4.41Å; F503-M589 HydrophobicContact CE2-CE 4.32Å; F503-M589 HydrophobicContact CZ-CE 4.41Å; I542-M589 HydrophobicContact CD1-CE 3.7Å; L584-M589 HydrophobicContact CD2-CB 3.91Å; L584-M589 HydrophobicContact CD2-CE 4.43Å; L584-M589 HydrophobicContact CD2-CG 4.43Å; L584-M589 HydrophobicContact CD2-SD 3.81Å; L584-M589 PolarHBondContact O-N 3.03Å; L584-M589 VanDerWaalsContact O-N 3.08Å; L587-M589 HydrophobicContact CB-CG 4.05Å; L587-M589 HydrophobicContact CB-SD 4.29Å; L587-M589 HydrophobicContact CD1-SD 4.43Å; L587-M589 PolarHBondContact O-N 2.91Å; M589-I679 HydrophobicContact CB-CG2 4.32Å; M589-I679 HydrophobicContact CE-CD1 4.28Å; M589-I679 HydrophobicContact CE-CG2 3.86Å; M589-I679 HydrophobicContact CG-CG2 4.25Å; M589-L683 HydrophobicContact CG-CD2 4.49Å
590	T	89	Confident	86.8	Confident	19 Å²	19	40 Å²	40	12%	0.117	23%	0.232	C	C	.	.			trans	-121.8	154.8	-177.6	59.3	0	0	0	0	112.2	L584 D585 H588 I594 A596 I599 N682	L584-T590 HydrophobicContact CB-CG2 3.85Å; D585-T590 WeakPolarHBondContact CA-OG1 3.48Å; D585-T590 WeakPolarHBondContact OD1-CB 3.25Å; D585-T590 WeakPolarHBondContact OD1-CG2 3.35Å; D585-T590 PolarHBondContact OD1-OG1 3.14Å; H588-T590 VanDerWaalsContact C-N 3.32Å; T590-I594 CarbonylContact C-O 3.53Å; T590-I594 WeakPolarHBondContact CA-O 3.11Å; T590-I594 WeakPolarHBondContact CB-O 3.33Å; T590-A596 HydrophobicContact CG2-CB 4.11Å; T590-I599 HydrophobicContact CG2-CD1 4.37Å; T590-N682 PolarHBondContact O-ND2 3.25Å
591	C	86.2	Confident	87.1	Confident	44 Å²	44	45.2 Å²	45.2	30%	0.297	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-153.8	-179.8	169.6	83.8	0	0	0	0	110	S593 I594 N682	C591-S593 PolarHBondContact O-N 3.39Å; C591-S593 PolarHBondContact SG-N 3.26Å; C591-S593 VanDerWaalsContact SG-N 3.38Å; C591-S593 PolarHBondContact SG-OG 2.97Å; C591-I594 PolarHBondContact N-O 2.94Å; C591-I594 CarbonylContact O-C 3.53Å; C591-I594 VanDerWaalsContact O-C 3.25Å; C591-I594 PolarHBondContact O-N 2.51Å; C591-N682 WeakPolarHBondContact CB-OD1 3.28Å
592	D	86.6	Confident	87.6	Confident	177 Å²	177	42.9 Å²	42.9	95%	0.947	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-24	178.4	-56.4	-18.3	0	0	0	114.6
593	S	86.2	Confident	88.4	Confident	66 Å²	66	40 Å²	40	46%	0.462	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-2.6	179.4	82.3	0	0	0	0	115.3	C591 K678	C591-S593 PolarHBondContact O-N 3.39Å; C591-S593 PolarHBondContact SG-N 3.26Å; C591-S593 VanDerWaalsContact SG-N 3.38Å; C591-S593 PolarHBondContact SG-OG 2.97Å; S593-K678 PolarHBondContact O-NZ 2.74Å; S593-K678 WeakPolarHBondContact OG-CD 3.19Å; S593-K678 WeakPolarHBondContact OG-CE 3.2Å
594	I	88.8	Confident	88.8	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-152.3	103.5	178.5	-174.8	179.3	0	0	0	109.9	T590 C591 I599 L675 K678 I679	T590-I594 CarbonylContact C-O 3.53Å; T590-I594 WeakPolarHBondContact CA-O 3.11Å; T590-I594 WeakPolarHBondContact CB-O 3.33Å; C591-I594 PolarHBondContact N-O 2.94Å; C591-I594 CarbonylContact O-C 3.53Å; C591-I594 VanDerWaalsContact O-C 3.25Å; C591-I594 PolarHBondContact O-N 2.51Å; I594-I599 HydrophobicContact CD1-CD1 4.06Å; I594-I599 HydrophobicContact CD1-CG1 4.01Å; I594-I599 HydrophobicContact CG1-CD1 4.21Å; I594-I599 HydrophobicContact CG1-CG1 4.05Å; I594-L675 HydrophobicContact CD1-CB 4.28Å; I594-L675 HydrophobicContact CD1-CD2 3.48Å; I594-L675 VanDerWaalsContact CD1-CD2 3.48Å; I594-L675 HydrophobicContact CD1-CG 4.48Å; I594-L675 HydrophobicContact CG1-CD2 3.83Å; I594-K678 HydrophobicContact CB-CB 4.36Å; I594-K678 HydrophobicContact CB-CD 4.04Å; I594-K678 HydrophobicContact CD1-CB 4.16Å; I594-K678 HydrophobicContact CG2-CB 3.94Å; I594-K678 HydrophobicContact CG2-CD 4.34Å; I594-I679 HydrophobicContact CD1-CD1 4.09Å; I594-I679 HydrophobicContact CD1-CG1 3.7Å
595	T	90.4	Very high	89	Confident	74 Å²	74	44.7 Å²	44.7	45%	0.454	25%	0.245	S	C	.	.			trans	-90.7	158.2	179.8	57.6	0	0	0	0	111.3	Q597 S598 I599	T595-Q597 PolarHBondContact O-N 3.4Å; T595-S598 PolarHBondContact N-OG 3.44Å; T595-S598 PolarHBondContact O-N 2.91Å; T595-S598 PolarHBondContact O-OG 3.33Å; T595-S598 PolarHBondContact OG1-N 3.36Å; T595-I599 PolarHBondContact O-N 3.02Å
596	A	91	Very high	89.5	Confident	5 Å²	5	40.9 Å²	40.9	4%	0.041	23%	0.225	C	C	.	.	H	α-helix	trans	-52.2	-43.5	172.9	0	0	0	0	0	111.7	D581 L584 T590 S598 I599 F600	D581-A596 WeakPolarHBondContact O-CB 3.46Å; D581-A596 WeakPolarHBondContact OD1-CB 3.19Å; L584-A596 HydrophobicContact CB-CB 3.85Å; L584-A596 HydrophobicContact CD1-CB 3.76Å; L584-A596 HydrophobicContact CG-CB 4.42Å; T590-A596 HydrophobicContact CG2-CB 4.11Å; A596-S598 VanDerWaalsContact C-N 3.34Å; A596-S598 PolarHBondContact O-N 2.87Å; A596-I599 WeakPolarHBondContact O-CB 3.32Å; A596-I599 PolarHBondContact O-N 2.96Å; A596-F600 WeakPolarHBondContact O-CD2 3.26Å; A596-F600 PolarHBondContact O-N 2.9Å
597	Q	89.9	Confident	90	Very high	95 Å²	95	42.3 Å²	42.3	44%	0.444	23%	0.227	S	C	.	.	H	α-helix	trans	-57.7	-34.3	172.6	173.6	64.4	-26.9	0	0	114.2	D581 T595 Q601	D581-Q597 PolarHBondContact OD1-N 3.47Å; T595-Q597 PolarHBondContact O-N 3.4Å; Q597-Q601 WeakPolarHBondContact O-CB 3.28Å; Q597-Q601 WeakPolarHBondContact O-CG 3.38Å; Q597-Q601 PolarHBondContact O-N 3.16Å
598	S	91.6	Very high	90.2	Very high	35 Å²	35	50.7 Å²	50.7	25%	0.245	26%	0.258	C	S	.	.	H	α-helix	trans	-72.8	-35.5	177.1	75.3	0	0	0	0	112.1	T595 A596 Q601 F602	T595-S598 PolarHBondContact N-OG 3.44Å; T595-S598 PolarHBondContact O-N 2.91Å; T595-S598 PolarHBondContact O-OG 3.33Å; T595-S598 PolarHBondContact OG1-N 3.36Å; A596-S598 VanDerWaalsContact C-N 3.34Å; A596-S598 PolarHBondContact O-N 2.87Å; S598-Q601 PolarHBondContact O-N 3.36Å; S598-F602 PolarHBondContact O-N 2.94Å
599	I	93.5	Very high	90.4	Very high	4 Å²	4	49 Å²	49	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-47.3	171.9	-61.6	169	0	0	0	109.8	L569 L584 T590 I594 T595 A596 Q601 F602 A603 L675 I679	L569-I599 HydrophobicContact CD1-CG2 4.1Å; L584-I599 HydrophobicContact CD1-CB 4.23Å; L584-I599 HydrophobicContact CD1-CD1 4.15Å; L584-I599 HydrophobicContact CD1-CG2 4.26Å; L584-I599 HydrophobicContact CD2-CD1 4.16Å; T590-I599 HydrophobicContact CG2-CD1 4.37Å; I594-I599 HydrophobicContact CD1-CD1 4.06Å; I594-I599 HydrophobicContact CD1-CG1 4.01Å; I594-I599 HydrophobicContact CG1-CD1 4.21Å; I594-I599 HydrophobicContact CG1-CG1 4.05Å; T595-I599 PolarHBondContact O-N 3.02Å; A596-I599 WeakPolarHBondContact O-CB 3.32Å; A596-I599 PolarHBondContact O-N 2.96Å; I599-Q601 PolarHBondContact O-N 3Å; I599-F602 WeakPolarHBondContact O-CB 3.47Å; I599-F602 PolarHBondContact O-N 3.39Å; I599-A603 WeakPolarHBondContact O-CB 3.34Å; I599-A603 PolarHBondContact O-N 2.59Å; I599-L675 HydrophobicContact CG1-CD2 4.25Å; I599-I679 HydrophobicContact CD1-CD1 4.13Å
600	F	92.7	Very high	90.5	Very high	1 Å²	1	55.8 Å²	55.8	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-66.7	-31.3	176.6	-85.9	-70	0	0	0	114	N567 L569 D581 L584 A596 S604	N567-F600 VanDerWaalsContact C-CE1 3.47Å; N567-F600 HydrophobicContact CB-CD1 3.48Å; N567-F600 VanDerWaalsContact CB-CD1 3.48Å; N567-F600 HydrophobicContact CB-CE1 3.56Å; N567-F600 HydrophobicContact CB-CG 4.09Å; N567-F600 HydrophobicContact CB-CZ 4.26Å; N567-F600 WeakPolarHBondContact O-CZ 3.34Å; L569-F600 HydrophobicContact CD1-CE1 4.5Å; L569-F600 HydrophobicContact CD2-CD1 3.94Å; L569-F600 HydrophobicContact CD2-CE1 3.55Å; L569-F600 HydrophobicContact CD2-CZ 4.28Å; L569-F600 HydrophobicContact CG-CD1 4.32Å; L569-F600 HydrophobicContact CG-CE1 3.59Å; L569-F600 HydrophobicContact CG-CZ 3.8Å; D581-F600 HydrophobicContact CB-CD2 4.34Å; D581-F600 HydrophobicContact CB-CE2 4.11Å; L584-F600 HydrophobicContact CD1-CD2 3.98Å; L584-F600 HydrophobicContact CD1-CE2 3.67Å; A596-F600 WeakPolarHBondContact O-CD2 3.26Å; A596-F600 PolarHBondContact O-N 2.9Å; F600-S604 WeakPolarHBondContact O-CB 3.47Å; F600-S604 PolarHBondContact O-N 3.45Å; F600-S604 PolarHBondContact O-OG 3.06Å
601	Q	91.9	Very high	90.6	Very high	110 Å²	110	55.6 Å²	55.6	51%	0.514	28%	0.281	S	S	.	.	H	α-helix	trans	-66.9	-40.8	171.2	-78.4	173.9	14.4	0	0	112.3	Q597 S598 I599 S604 R605	Q597-Q601 WeakPolarHBondContact O-CB 3.28Å; Q597-Q601 WeakPolarHBondContact O-CG 3.38Å; Q597-Q601 PolarHBondContact O-N 3.16Å; S598-Q601 PolarHBondContact O-N 3.36Å; I599-Q601 PolarHBondContact O-N 3Å; Q601-S604 PolarHBondContact O-N 3.35Å; Q601-R605 WeakPolarHBondContact O-CB 3.41Å; Q601-R605 PolarHBondContact O-N 2.67Å
602	F	93.9	Very high	91	Very high	13 Å²	13	56.1 Å²	56.1	6%	0.057	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-47.7	172.9	171.6	-97.9	0	0	0	111.4	C546 S598 I599 S604 R605 L606 V668 T671 L672 L675	C546-F602 HydrophobicContact CB-CD1 3.9Å; C546-F602 HydrophobicContact CB-CE1 3.8Å; S598-F602 PolarHBondContact O-N 2.94Å; I599-F602 WeakPolarHBondContact O-CB 3.47Å; I599-F602 PolarHBondContact O-N 3.39Å; F602-S604 VanDerWaalsContact C-N 3.34Å; F602-S604 PolarHBondContact O-N 3Å; F602-R605 WeakPolarHBondContact O-CA 3.28Å; F602-R605 WeakPolarHBondContact O-CB 3.41Å; F602-R605 PolarHBondContact O-N 2.92Å; F602-L606 PolarHBondContact O-N 2.81Å; F602-V668 HydrophobicContact CE2-CG1 3.59Å; F602-V668 HydrophobicContact CZ-CG1 3.64Å; F602-T671 WeakPolarHBondContact CE2-OG1 3.23Å; F602-L672 HydrophobicContact CE1-CD1 4.14Å; F602-L672 HydrophobicContact CE2-CB 4.35Å; F602-L672 HydrophobicContact CZ-CB 4.02Å; F602-L672 HydrophobicContact CZ-CD1 3.9Å; F602-L675 HydrophobicContact CB-CD1 3.58Å; F602-L675 HydrophobicContact CD1-CD1 3.63Å; F602-L675 HydrophobicContact CD2-CD1 3.77Å; F602-L675 HydrophobicContact CE1-CD1 4.23Å; F602-L675 HydrophobicContact CE2-CD1 4.35Å; F602-L675 HydrophobicContact CG-CD1 3.37Å
603	A	93.8	Very high	91.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-41.3	177.1	0	0	0	0	0	112.1	C546 N549 L569 I599 R605 L606 Q607	C546-A603 HydrophobicContact CB-CB 3.86Å; N549-A603 HydrophobicContact CB-CB 3.88Å; L569-A603 HydrophobicContact CD2-CB 3.65Å; I599-A603 WeakPolarHBondContact O-CB 3.34Å; I599-A603 PolarHBondContact O-N 2.59Å; A603-R605 VanDerWaalsContact C-N 3.31Å; A603-R605 PolarHBondContact O-N 3.24Å; A603-L606 WeakPolarHBondContact O-CB 3.16Å; A603-L606 PolarHBondContact O-N 3.44Å; A603-Q607 WeakPolarHBondContact O-CB 3.17Å; A603-Q607 PolarHBondContact O-N 2.94Å
604	S	92	Very high	91.6	Very high	32 Å²	32	47.6 Å²	47.6	22%	0.224	23%	0.231	C	C	.	.	H	α-helix	trans	-68.2	-24.6	173.8	-60.2	0	0	0	0	113.7	F600 Q601 F602 R608	F600-S604 WeakPolarHBondContact O-CB 3.47Å; F600-S604 PolarHBondContact O-N 3.45Å; F600-S604 PolarHBondContact O-OG 3.06Å; Q601-S604 PolarHBondContact O-N 3.35Å; F602-S604 VanDerWaalsContact C-N 3.34Å; F602-S604 PolarHBondContact O-N 3Å; S604-R608 VanDerWaalsContact O-CG 3.32Å; S604-R608 WeakPolarHBondContact O-CG 3.12Å; S604-R608 PolarHBondContact O-N 3.02Å; S604-R608 PolarHBondContact O-NE 2.95Å
605	R	91.7	Very high	91.9	Very high	69 Å²	69	47.7 Å²	47.7	26%	0.26	23%	0.232	S	C	.	.	H	α-helix	trans	-75.4	-42.6	168.9	174.6	178.8	166.5	-151.4	-11.2	110.9	Q601 F602 A603 R608 L609 H664 M667	Q601-R605 WeakPolarHBondContact O-CB 3.41Å; Q601-R605 PolarHBondContact O-N 2.67Å; F602-R605 WeakPolarHBondContact O-CA 3.28Å; F602-R605 WeakPolarHBondContact O-CB 3.41Å; F602-R605 PolarHBondContact O-N 2.92Å; A603-R605 VanDerWaalsContact C-N 3.31Å; A603-R605 PolarHBondContact O-N 3.24Å; R605-R608 PolarHBondContact O-N 3.25Å; R605-L609 WeakPolarHBondContact O-CG 3.22Å; R605-L609 PolarHBondContact O-N 3.21Å; R605-H664 PolarHBondContact NH2-O 2.8Å; R605-M667 PolarHBondContact NH1-O 3.42Å; R605-M667 PolarHBondContact NH2-O 3.34Å
606	L	92.2	Very high	92.1	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-42.5	179.1	-166.1	69.2	0	0	0	111.6	L543 C546 R547 F602 A603 L609 L611 V668	L543-L606 HydrophobicContact CD1-CD1 4.03Å; L543-L606 HydrophobicContact CD1-CD2 3.8Å; C546-L606 HydrophobicContact CB-CD2 4.05Å; R547-L606 HydrophobicContact CB-CD2 4.09Å; F602-L606 PolarHBondContact O-N 2.81Å; A603-L606 WeakPolarHBondContact O-CB 3.16Å; A603-L606 PolarHBondContact O-N 3.44Å; L606-L609 PolarHBondContact O-N 2.99Å; L606-L611 HydrophobicContact CD1-CD1 3.62Å; L606-L611 HydrophobicContact CD1-CD2 4.06Å; L606-L611 HydrophobicContact CG-CD1 4.1Å; L606-L611 WeakPolarHBondContact O-CD1 3.43Å; L606-V668 HydrophobicContact CD1-CG1 3.83Å; L606-V668 HydrophobicContact CD1-CG2 4.44Å
607	Q	90.5	Very high	92.2	Very high	73 Å²	73	44.1 Å²	44.1	34%	0.341	21%	0.209	S	C	.	.	H	α-helix	trans	-61	-46.7	175.4	-169.5	177.9	20.9	0	0	112.2	N549 A603 L609 H610	N549-Q607 PolarHBondContact ND2-OE1 2.88Å; N549-Q607 PolarHBondContact O-NE2 3.26Å; N549-Q607 VanDerWaalsContact O-NE2 3.11Å; A603-Q607 WeakPolarHBondContact O-CB 3.17Å; A603-Q607 PolarHBondContact O-N 2.94Å; Q607-L609 PolarHBondContact O-N 3.26Å; Q607-H610 PolarHBondContact O-N 2.7Å
608	R	90.1	Very high	92.5	Very high	178 Å²	178	39.6 Å²	39.6	67%	0.672	19%	0.188	S	C	*	.	H	α-helix	trans	-64.6	-20.3	177.4	-76	-179.3	-65.1	148.2	-2.8	114.4	S604 R605 H610	S604-R608 VanDerWaalsContact O-CG 3.32Å; S604-R608 WeakPolarHBondContact O-CG 3.12Å; S604-R608 PolarHBondContact O-N 3.02Å; S604-R608 PolarHBondContact O-NE 2.95Å; R605-R608 PolarHBondContact O-N 3.25Å; R608-H610 VanDerWaalsContact C-N 3.27Å; R608-H610 PolarHBondContact O-CD2 3Å; R608-H610 VanDerWaalsContact O-CD2 3.32Å
609	L	89.4	Confident	92.7	Very high	26 Å²	26	38 Å²	38	14%	0.136	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.9	173.2	-74.6	166.9	0	0	0	112.2	R605 L606 Q607 L611 R661 H664 L665 V668	R605-L609 WeakPolarHBondContact O-CG 3.22Å; R605-L609 PolarHBondContact O-N 3.21Å; L606-L609 PolarHBondContact O-N 2.99Å; Q607-L609 PolarHBondContact O-N 3.26Å; L609-L611 HydrophobicContact CB-CD1 3.52Å; L609-L611 HydrophobicContact CD1-CD1 4.37Å; L609-R661 PolarHBondContact O-NH1 3.34Å; L609-R661 PolarHBondContact O-NH2 3.23Å; L609-H664 HydrophobicContact CD2-CB 4.24Å; L609-L665 HydrophobicContact CD1-CD2 4.41Å; L609-V668 HydrophobicContact CD1-CG2 3.64Å
610	H	89.3	Confident	92.8	Very high	143 Å²	143	37.8 Å²	37.8	66%	0.662	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.7	63.5	-177.7	-62.7	-81.1	0	0	0	111.9	Q607 R608 T612 R661	Q607-H610 PolarHBondContact O-N 2.7Å; R608-H610 VanDerWaalsContact C-N 3.27Å; R608-H610 PolarHBondContact O-CD2 3Å; R608-H610 VanDerWaalsContact O-CD2 3.32Å; H610-T612 PolarHBondContact O-N 2.99Å; H610-T612 VanDerWaalsContact O-N 3.13Å; H610-R661 PolarHBondContact O-NH2 3.17Å; H610-R661 VanDerWaalsContact O-NH2 3.17Å
611	L	91.6	Very high	93	Very high	16 Å²	16	37.8 Å²	37.8	8%	0.084	18%	0.175	C	C	.	.			trans	-67.2	111.5	-177.6	-77	81.2	0	0	0	110.8	R547 L606 L609 F616 L619 L665	R547-L611 PolarHBondContact NH2-O 3.13Å; L606-L611 HydrophobicContact CD1-CD1 3.62Å; L606-L611 HydrophobicContact CD1-CD2 4.06Å; L606-L611 HydrophobicContact CG-CD1 4.1Å; L606-L611 WeakPolarHBondContact O-CD1 3.43Å; L609-L611 HydrophobicContact CB-CD1 3.52Å; L609-L611 HydrophobicContact CD1-CD1 4.37Å; L611-F616 HydrophobicContact CD2-CD2 4.27Å; L611-L619 HydrophobicContact CD2-CD2 3.7Å; L611-L665 HydrophobicContact CD1-CD2 4.18Å; L611-L665 HydrophobicContact CD2-CD2 3.92Å; L611-L665 HydrophobicContact CG-CD2 3.81Å
612	T	93.2	Very high	93.2	Very high	55 Å²	55	32.8 Å²	32.8	34%	0.337	15%	0.153	S	C	.	.			trans	-68.1	158	170.8	64	0	0	0	0	110.3	H610 M614 E615 F616	H610-T612 PolarHBondContact O-N 2.99Å; H610-T612 VanDerWaalsContact O-N 3.13Å; T612-M614 PolarHBondContact O-N 3.41Å; T612-E615 WeakPolarHBondContact CB-OE2 3.31Å; T612-E615 PolarHBondContact N-OE2 3.4Å; T612-E615 PolarHBondContact O-N 3Å; T612-E615 WeakPolarHBondContact OG1-CG 3.23Å; T612-E615 PolarHBondContact OG1-N 2.79Å; T612-E615 PolarHBondContact OG1-OE2 3Å; T612-F616 WeakPolarHBondContact O-CB 3.4Å; T612-F616 PolarHBondContact O-N 3.22Å
613	N	93.1	Very high	93.3	Very high	32 Å²	32	32.2 Å²	32.2	17%	0.171	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-27.2	174.5	-76.7	-16.9	0	0	0	112.3	D444 L447 R547 E615 G617	D444-N613 HydrophobicContact CB-CB 4.43Å; D444-N613 PolarHBondContact OD1-ND2 3.43Å; L447-N613 HydrophobicContact CD1-CB 3.87Å; R547-N613 PolarHBondContact NH1-OD1 3.35Å; R547-N613 PolarHBondContact NH2-OD1 3.32Å; N613-E615 VanDerWaalsContact C-N 3.26Å; N613-E615 PolarHBondContact O-N 3.11Å; N613-G617 PolarHBondContact O-N 3.45Å
614	M	93	Very high	93.5	Very high	32 Å²	32	32.3 Å²	32.3	16%	0.158	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-25.6	172.9	-47	-66	-92.5	0	0	113.5	L440 D441 T612 P618 Y652	L440-M614 HydrophobicContact CB-CE 3.77Å; L440-M614 HydrophobicContact CD2-CB 4.49Å; L440-M614 WeakPolarHBondContact CD2-O 3.35Å; D441-M614 WeakPolarHBondContact OD1-CE 3.32Å; T612-M614 PolarHBondContact O-N 3.41Å; M614-P618 WeakPolarHBondContact O-CD 3.47Å; M614-P618 VanDerWaalsContact O-CG 3.29Å; M614-P618 WeakPolarHBondContact O-CG 3.5Å; M614-Y652 HydrophobicContact CB-CD1 4.29Å; M614-Y652 HydrophobicContact CB-CE1 3.59Å; M614-Y652 HydrophobicContact CB-CE2 4.06Å; M614-Y652 VanDerWaalsContact CB-CZ 3.43Å; M614-Y652 WeakPolarHBondContact CB-OH 3.4Å; M614-Y652 HydrophobicContact CE-CE2 4.36Å; M614-Y652 HydrophobicContact CG-CE1 4.49Å; M614-Y652 HydrophobicContact CG-CE2 4.44Å; M614-Y652 WeakPolarHBondContact CG-OH 3.37Å
615	E	94.5	Very high	93.7	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.014	14%	0.14	C	C	.	.	H	α-helix	trans	-99.5	-37.6	176.9	-68.3	152.3	150.1	0	0	111.3	T612 N613 L619 L649 Y652 R661 L665	T612-E615 WeakPolarHBondContact CB-OE2 3.31Å; T612-E615 PolarHBondContact N-OE2 3.4Å; T612-E615 PolarHBondContact O-N 3Å; T612-E615 WeakPolarHBondContact OG1-CG 3.23Å; T612-E615 PolarHBondContact OG1-N 2.79Å; T612-E615 PolarHBondContact OG1-OE2 3Å; N613-E615 VanDerWaalsContact C-N 3.26Å; N613-E615 PolarHBondContact O-N 3.11Å; E615-L619 VanDerWaalsContact O-CB 3.29Å; E615-L619 WeakPolarHBondContact O-CB 3.5Å; E615-L619 PolarHBondContact O-N 3.02Å; E615-L649 HydrophobicContact CB-CD1 3.95Å; E615-L649 HydrophobicContact CG-CD1 4.02Å; E615-Y652 HydrophobicContact CG-CD1 3.75Å; E615-Y652 HydrophobicContact CG-CE1 3.64Å; E615-R661 IonicContact OE1-CZ 3.23Å; E615-R661 VanDerWaalsContact OE1-CZ 3.23Å; E615-R661 IonicContact OE1-NE 2.89Å; E615-R661 PolarHBondContact OE1-NE 3.41Å; E615-R661 IonicContact OE1-NH2 2.96Å; E615-R661 PolarHBondContact OE1-NH2 3.14Å; E615-R661 IonicContact OE2-CZ 2.84Å; E615-R661 IonicContact OE2-NH2 2.68Å; E615-R661 PolarHBondContact OE2-NH2 2.98Å; E615-L665 HydrophobicContact CB-CD1 4.21Å; E615-L665 HydrophobicContact CG-CD1 4.19Å
616	F	94.5	Very high	93.9	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.018	13%	0.129	C	C	.	.	H	α-helix	trans	-65.7	-40.5	-178.9	-169.1	-108.5	0	0	0	112.3	L447 L543 M544 L611 T612 L619 I620	L447-F616 HydrophobicContact CD1-CD1 4.14Å; L447-F616 HydrophobicContact CD2-CD1 4.42Å; L543-F616 HydrophobicContact CD2-CE2 3.87Å; L543-F616 HydrophobicContact CD2-CZ 4.44Å; L543-F616 HydrophobicContact CG-CE2 3.93Å; M544-F616 HydrophobicContact CG-CZ 3.97Å; L611-F616 HydrophobicContact CD2-CD2 4.27Å; T612-F616 WeakPolarHBondContact O-CB 3.4Å; T612-F616 PolarHBondContact O-N 3.22Å; F616-L619 PolarHBondContact O-N 3.23Å; F616-I620 HydrophobicContact CD1-CD1 3.71Å; F616-I620 HydrophobicContact CD1-CG1 4.46Å; F616-I620 HydrophobicContact CE1-CD1 3.49Å; F616-I620 VanDerWaalsContact CE1-CD1 3.49Å; F616-I620 HydrophobicContact CE1-CG1 4.26Å; F616-I620 HydrophobicContact CZ-CD1 4.1Å; F616-I620 HydrophobicContact CZ-CG1 4.45Å; F616-I620 WeakPolarHBondContact O-CG1 2.95Å; F616-I620 PolarHBondContact O-N 3.26Å
617	G	94.8	Very high	94.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.2	-56.1	174.8	0	0	0	0	0	112.3	F514 N613 L619 I620 G621	F514-G617 WeakPolarHBondContact CZ-O 3.32Å; N613-G617 PolarHBondContact O-N 3.45Å; G617-L619 VanDerWaalsContact C-N 3.3Å; G617-L619 PolarHBondContact O-N 3.16Å; G617-I620 PolarHBondContact O-N 2.94Å; G617-G621 PolarHBondContact O-N 3.08Å
618	P	94.9	Very high	94.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-33.7	173.8	-28	37.1	0	0	0	114.9	L440 F443 M614 G621 V622 W645 L648 L649	L440-P618 HydrophobicContact CD2-CG 4.09Å; F443-P618 HydrophobicContact CD2-CG 4.25Å; F443-P618 HydrophobicContact CE2-CG 3.69Å; F443-P618 HydrophobicContact CZ-CG 4.03Å; M614-P618 WeakPolarHBondContact O-CD 3.47Å; M614-P618 VanDerWaalsContact O-CG 3.29Å; M614-P618 WeakPolarHBondContact O-CG 3.5Å; P618-G621 WeakPolarHBondContact O-CA 3.44Å; P618-G621 PolarHBondContact O-N 3.47Å; P618-G621 VanDerWaalsContact O-N 3.17Å; P618-V622 WeakPolarHBondContact O-CG2 3.35Å; P618-V622 PolarHBondContact O-N 3.13Å; P618-W645 HydrophobicContact CB-CE3 4.3Å; P618-L648 HydrophobicContact CG-CD2 4.29Å; P618-L649 HydrophobicContact CB-CB 3.93Å; P618-L649 HydrophobicContact CB-CD1 4.3Å
619	L	95.7	Very high	94.2	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-65	-40.6	175.4	-166.6	68.9	0	0	0	112	L543 L611 E615 F616 G617 G621 V622 I623 L649 L669	L543-L619 HydrophobicContact CD2-CD2 4.37Å; L611-L619 HydrophobicContact CD2-CD2 3.7Å; E615-L619 VanDerWaalsContact O-CB 3.29Å; E615-L619 WeakPolarHBondContact O-CB 3.5Å; E615-L619 PolarHBondContact O-N 3.02Å; F616-L619 PolarHBondContact O-N 3.23Å; G617-L619 VanDerWaalsContact C-N 3.3Å; G617-L619 PolarHBondContact O-N 3.16Å; L619-G621 VanDerWaalsContact C-N 3.32Å; L619-V622 PolarHBondContact O-N 3.46Å; L619-I623 HydrophobicContact CG-CD1 4.49Å; L619-I623 WeakPolarHBondContact O-CG1 3.47Å; L619-I623 PolarHBondContact O-N 2.94Å; L619-I623 VanDerWaalsContact O-N 3.13Å; L619-L649 HydrophobicContact CD1-CD2 4.31Å; L619-L669 HydrophobicContact CD1-CD1 4.14Å; L619-L669 HydrophobicContact CD1-CD2 3.67Å; L619-L669 HydrophobicContact CD1-CG 3.99Å; L619-L669 HydrophobicContact CG-CD2 4.06Å
620	I	96.3	Very high	94.3	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-43.1	170.3	-65	164.2	0	0	0	110	L447 F510 F514 L540 F616 G617 V622 I623 L624	L447-I620 HydrophobicContact CD2-CD1 3.85Å; F510-I620 HydrophobicContact CE1-CD1 4.05Å; F510-I620 HydrophobicContact CZ-CD1 4.06Å; F514-I620 HydrophobicContact CD1-CG2 3.52Å; F514-I620 HydrophobicContact CD2-CD1 4.44Å; F514-I620 HydrophobicContact CD2-CG2 4.24Å; F514-I620 HydrophobicContact CE1-CB 4Å; F514-I620 HydrophobicContact CE1-CG2 3.39Å; F514-I620 HydrophobicContact CE2-CB 4.21Å; F514-I620 HydrophobicContact CE2-CD1 4.3Å; F514-I620 HydrophobicContact CE2-CG2 4.12Å; F514-I620 HydrophobicContact CG-CG2 3.96Å; F514-I620 HydrophobicContact CZ-CB 3.83Å; F514-I620 HydrophobicContact CZ-CG2 3.71Å; L540-I620 HydrophobicContact CD1-CG2 4.18Å; L540-I620 HydrophobicContact CD2-CB 4.33Å; L540-I620 HydrophobicContact CD2-CG1 4.02Å; L540-I620 HydrophobicContact CD2-CG2 3.94Å; F616-I620 HydrophobicContact CD1-CD1 3.71Å; F616-I620 HydrophobicContact CD1-CG1 4.46Å; F616-I620 HydrophobicContact CE1-CD1 3.49Å; F616-I620 VanDerWaalsContact CE1-CD1 3.49Å; F616-I620 HydrophobicContact CE1-CG1 4.26Å; F616-I620 HydrophobicContact CZ-CD1 4.1Å; F616-I620 HydrophobicContact CZ-CG1 4.45Å; F616-I620 WeakPolarHBondContact O-CG1 2.95Å; F616-I620 PolarHBondContact O-N 3.26Å; G617-I620 PolarHBondContact O-N 2.94Å; I620-V622 VanDerWaalsContact C-N 3.33Å; I620-V622 PolarHBondContact O-N 2.98Å; I620-I623 PolarHBondContact O-N 3.13Å; I620-I623 VanDerWaalsContact O-N 3.11Å; I620-L624 WeakPolarHBondContact O-CB 3.46Å; I620-L624 PolarHBondContact O-N 3.47Å
621	G	96.1	Very high	94.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57	-41.8	175.8	0	0	0	0	0	113.6	G617 P618 L619 F625	G617-G621 PolarHBondContact O-N 3.08Å; P618-G621 WeakPolarHBondContact O-CA 3.44Å; P618-G621 PolarHBondContact O-N 3.47Å; P618-G621 VanDerWaalsContact O-N 3.17Å; L619-G621 VanDerWaalsContact C-N 3.32Å; G621-F625 WeakPolarHBondContact O-CD2 3.33Å; G621-F625 PolarHBondContact O-N 3.38Å; G621-F625 VanDerWaalsContact O-N 3.11Å
622	V	96.6	Very high	94.4	Very high	6 Å²	6	23.7 Å²	23.7	4%	0.036	13%	0.125	C	C	.	.	H	α-helix	trans	-68.2	-32	175.8	176.2	0	0	0	0	112.6	P618 L619 I620 T626 Q642 W645 A646 I666 L669	P618-V622 WeakPolarHBondContact O-CG2 3.35Å; P618-V622 PolarHBondContact O-N 3.13Å; L619-V622 PolarHBondContact O-N 3.46Å; I620-V622 VanDerWaalsContact C-N 3.33Å; I620-V622 PolarHBondContact O-N 2.98Å; V622-T626 PolarHBondContact O-OG1 2.79Å; V622-Q642 HydrophobicContact CG1-CG 4.13Å; V622-Q642 PolarHBondContact O-NE2 3.32Å; V622-W645 HydrophobicContact CG2-CB 3.78Å; V622-A646 HydrophobicContact CG2-CB 4.04Å; V622-I666 HydrophobicContact CG1-CD1 4.37Å; V622-L669 HydrophobicContact CB-CD1 4.37Å; V622-L669 HydrophobicContact CG1-CD1 3.56Å
623	I	96.9	Very high	94.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-73.3	-46.7	176	-68.3	163.5	0	0	0	111.2	C536 E539 L540 L543 L619 I620 T626 L669 L672	C536-I623 HydrophobicContact CB-CG2 4.11Å; E539-I623 HydrophobicContact CB-CG2 3.81Å; L540-I623 HydrophobicContact CD2-CB 4.18Å; L540-I623 HydrophobicContact CD2-CD1 3.98Å; L540-I623 HydrophobicContact CD2-CG2 3.8Å; L540-I623 HydrophobicContact CG-CG2 4.09Å; L543-I623 HydrophobicContact CD2-CD1 3.6Å; L619-I623 HydrophobicContact CG-CD1 4.49Å; L619-I623 WeakPolarHBondContact O-CG1 3.47Å; L619-I623 PolarHBondContact O-N 2.94Å; L619-I623 VanDerWaalsContact O-N 3.13Å; I620-I623 PolarHBondContact O-N 3.13Å; I620-I623 VanDerWaalsContact O-N 3.11Å; I623-T626 PolarHBondContact O-OG1 2.94Å; I623-L669 HydrophobicContact CD1-CD2 3.65Å; I623-L669 HydrophobicContact CG1-CD2 3.5Å; I623-L672 HydrophobicContact CD1-CD2 3.78Å
624	L	96.8	Very high	94.5	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-53.4	179.8	177.1	64.2	0	0	0	111.2	F514 A515 L518 F521 L532 L533 I620 T626	F514-L624 HydrophobicContact CD1-CD2 4.33Å; F514-L624 HydrophobicContact CE1-CD2 4.49Å; A515-L624 HydrophobicContact CB-CD1 4.35Å; A515-L624 HydrophobicContact CB-CD2 3.73Å; L518-L624 HydrophobicContact CD1-CD2 3.78Å; F521-L624 HydrophobicContact CD2-CD2 4.26Å; F521-L624 HydrophobicContact CE2-CD1 4.35Å; L532-L624 HydrophobicContact CB-CD1 4.31Å; L533-L624 HydrophobicContact CD2-CD1 4.47Å; I620-L624 WeakPolarHBondContact O-CB 3.46Å; I620-L624 PolarHBondContact O-N 3.47Å; L624-T626 PolarHBondContact O-N 3.37Å
625	F	96.9	Very high	94.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	48.3	-179.4	-65.4	-76.2	0	0	0	112.7	L518 Q520 F521 L524 L532 G621 P627 V638 T641 Q642 W645	L518-F625 HydrophobicContact CD1-CE2 3.83Å; L518-F625 HydrophobicContact CD1-CZ 4.28Å; Q520-F625 HydrophobicContact CB-CZ 4.11Å; F521-F625 HydrophobicContact CB-CE1 4.39Å; F521-F625 HydrophobicContact CB-CZ 3.91Å; F521-F625 HydrophobicContact CD2-CE1 4.3Å; F521-F625 HydrophobicContact CD2-CZ 4.32Å; L524-F625 HydrophobicContact CD1-CE1 4.06Å; L532-F625 HydrophobicContact CD1-CD1 3.91Å; L532-F625 HydrophobicContact CD1-CE1 4.33Å; G621-F625 WeakPolarHBondContact O-CD2 3.33Å; G621-F625 PolarHBondContact O-N 3.38Å; G621-F625 VanDerWaalsContact O-N 3.11Å; F625-P627 VanDerWaalsContact O-CD 3.28Å; F625-P627 WeakPolarHBondContact O-CD 3.23Å; F625-V638 HydrophobicContact CB-CG1 4.23Å; F625-T641 HydrophobicContact CB-CG2 4.33Å; F625-T641 HydrophobicContact CD1-CG2 3.62Å; F625-T641 HydrophobicContact CD2-CG2 3.67Å; F625-T641 HydrophobicContact CE1-CG2 3.7Å; F625-T641 HydrophobicContact CE2-CG2 3.75Å; F625-T641 HydrophobicContact CG-CG2 3.6Å; F625-T641 HydrophobicContact CZ-CG2 3.75Å; F625-Q642 HydrophobicContact CB-CB 4.19Å; F625-Q642 HydrophobicContact CB-CG 4.46Å; F625-Q642 WeakPolarHBondContact O-CB 3.5Å; F625-Q642 VanDerWaalsContact O-CD 3.28Å; F625-Q642 WeakPolarHBondContact O-CG 3.36Å; F625-Q642 PolarHBondContact O-NE2 2.88Å; F625-W645 AromaticContact CD2-CD1 3.59Å; F625-W645 AromaticContact CD2-NE1 3.36Å; F625-W645 HydrophobicContact CE2-CZ2 4.44Å; F625-W645 AromaticContact CE2-NE1 3.29Å; F625-W645 VanDerWaalsContact CE2-NE1 3.29Å
626	T	95.7	Very high	94.7	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.031	18%	0.184	C	C	.	.			trans	-76.7	114.7	175.9	-65.7	0	0	0	0	110.3	V622 I623 L624 E628 R673	V622-T626 PolarHBondContact O-OG1 2.79Å; I623-T626 PolarHBondContact O-OG1 2.94Å; L624-T626 PolarHBondContact O-N 3.37Å; T626-E628 VanDerWaalsContact C-N 3.28Å; T626-E628 HydrophobicContact CG2-CB 4.38Å; T626-E628 WeakPolarHBondContact CG2-OE2 3.42Å; T626-E628 PolarHBondContact O-N 3.22Å; T626-R673 PolarHBondContact OG1-NH2 3.5Å
627	P	95.4	Very high	94.8	Very high	14 Å²	14	36.8 Å²	36.8	9%	0.091	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.4	-177	31.5	-36.5	0	0	0	114.3	F625 R629 I635 V638 N639 Q642	F625-P627 VanDerWaalsContact O-CD 3.28Å; F625-P627 WeakPolarHBondContact O-CD 3.23Å; P627-R629 VanDerWaalsContact C-N 3.33Å; P627-R629 PolarHBondContact O-N 2.82Å; P627-I635 HydrophobicContact CB-CG2 4.13Å; P627-V638 HydrophobicContact CB-CG1 4.17Å; P627-N639 HydrophobicContact CB-CB 3.89Å; P627-N639 HydrophobicContact CG-CB 4.19Å; P627-Q642 VanDerWaalsContact CD-OE1 3.27Å
628	E	92.1	Very high	94.8	Very high	140 Å²	140	36.8 Å²	36.8	65%	0.654	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	10.2	179.1	-57.5	86.4	172.9	0	0	114.8	T626	T626-E628 VanDerWaalsContact C-N 3.28Å; T626-E628 HydrophobicContact CG2-CB 4.38Å; T626-E628 WeakPolarHBondContact CG2-OE2 3.42Å; T626-E628 PolarHBondContact O-N 3.22Å
629	R	92.1	Very high	94.9	Very high	42 Å²	42	39.9 Å²	39.9	16%	0.158	21%	0.207	C	C	.	.	S	Bend	trans	-69	154.5	170.8	-53.5	-54.1	-175.8	-169.7	-12.3	110.7	I531 L532 D535 E539 P627 L632	I531-R629 HydrophobicContact CG2-CB 3.74Å; I531-R629 HydrophobicContact CG2-CG 4.32Å; L532-R629 HydrophobicContact CD2-CG 4.22Å; D535-R629 VanDerWaalsContact CB-CD 3.49Å; D535-R629 HydrophobicContact CB-CG 4.16Å; D535-R629 PolarHBondContact O-NH1 2.91Å; D535-R629 VanDerWaalsContact O-NH1 3.11Å; D535-R629 PolarHBondContact O-NH2 2.94Å; E539-R629 IonicContact OE1-CZ 3Å; E539-R629 IonicContact OE1-NH1 3.92Å; E539-R629 PolarHBondContact OE1-NH1 3.37Å; E539-R629 IonicContact OE1-NH2 3.3Å; E539-R629 PolarHBondContact OE1-NH2 3.36Å; P627-R629 VanDerWaalsContact C-N 3.33Å; P627-R629 PolarHBondContact O-N 2.82Å; R629-L632 HydrophobicContact CB-CD1 3.94Å; R629-L632 HydrophobicContact CB-CG 4.14Å
630	S	90.3	Very high	94.9	Very high	47 Å²	47	46.3 Å²	46.3	33%	0.329	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	161.1	174.4	72.6	0	0	0	0	111	L632 S705	S630-L632 PolarHBondContact O-N 3.37Å; S630-S705 WeakPolarHBondContact OG-CB 3.47Å; S630-S705 PolarHBondContact OG-OG 2.84Å
631	D	90.9	Very high	94.9	Very high	101 Å²	101	46.5 Å²	46.5	54%	0.54	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	6.3	163.4	-43	-54.5	0	0	0	117.7	H527 I531	H527-D631 PolarHBondContact NE2-O 2.83Å; I531-D631 HydrophobicContact CD1-CB 3.92Å
632	L	92.7	Very high	94.9	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.068	24%	0.239	C	C	.	.			trans	-63	138.1	172.1	-69.1	176.8	0	0	0	112.5	D528 I531 L532 R629 S630 I635 V638	D528-L632 HydrophobicContact CB-CD2 4.28Å; I531-L632 HydrophobicContact CB-CD2 4.02Å; I531-L632 HydrophobicContact CD1-CD2 4.45Å; I531-L632 HydrophobicContact CG2-CD2 3.7Å; I531-L632 HydrophobicContact CG2-CG 4.16Å; L532-L632 HydrophobicContact CD2-CD1 4.01Å; L532-L632 HydrophobicContact CD2-CD2 3.87Å; L532-L632 HydrophobicContact CG-CD2 4.04Å; R629-L632 HydrophobicContact CB-CD1 3.94Å; R629-L632 HydrophobicContact CB-CG 4.14Å; S630-L632 PolarHBondContact O-N 3.37Å; L632-I635 HydrophobicContact CB-CG1 3.72Å; L632-V638 HydrophobicContact CD1-CG1 4.44Å; L632-V638 HydrophobicContact CD1-CG2 4.36Å
633	L	93.6	Very high	94.8	Very high	123 Å²	123	52 Å²	52	64%	0.644	26%	0.261	S	S	*	.	S	Bend	trans	-91.3	-45.1	-175.8	-57.3	177.1	0	0	0	112.9	H527 D528	H527-L633 HydrophobicContact CB-CD1 4.31Å; D528-L633 PolarHBondContact OD1-N 2.82Å
634	D	94.2	Very high	94.7	Very high	68 Å²	68	53.8 Å²	53.8	36%	0.364	27%	0.27	S	S	.	.			trans	-112.4	65.7	174.4	-164.3	-11.8	0	0	0	112.2	D636 F637 V638 R640	D634-D636 PolarHBondContact O-N 2.79Å; D634-D636 PolarHBondContact OD1-N 3.39Å; D634-F637 HydrophobicContact CB-CB 4Å; D634-F637 WeakPolarHBondContact O-CB 3.39Å; D634-F637 PolarHBondContact O-N 3.02Å; D634-F637 WeakPolarHBondContact OD1-CB 3.42Å; D634-F637 PolarHBondContact OD1-N 3.31Å; D634-F637 VanDerWaalsContact OD2-CB 3.31Å; D634-F637 WeakPolarHBondContact OD2-CB 3.47Å; D634-V638 PolarHBondContact O-N 3.23Å; D634-R640 IonicContact OD1-NH2 2.72Å; D634-R640 IonicContact OD2-NH2 2.76Å
635	I	96.3	Very high	94.6	Very high	83 Å²	83	53.7 Å²	53.7	43%	0.426	27%	0.27	S	S	.	.	H	α-helix	trans	-53.7	-35.8	173	-58.6	168.9	0	0	0	111.2	P627 L632 F637 V638 N639	P627-I635 HydrophobicContact CB-CG2 4.13Å; L632-I635 HydrophobicContact CB-CG1 3.72Å; I635-F637 VanDerWaalsContact C-N 3.31Å; I635-F637 PolarHBondContact O-N 3.49Å; I635-V638 PolarHBondContact O-N 3.4Å; I635-N639 WeakPolarHBondContact O-CB 3.43Å; I635-N639 PolarHBondContact O-N 3.41Å
636	D	95.9	Very high	94.4	Very high	91 Å²	91	55.1 Å²	55.1	49%	0.487	28%	0.282	S	S	.	.	H	α-helix	trans	-64.6	-35	178.6	-120.1	-1	0	0	0	110.4	K339 D634 R640	K339-D636 IonicContact NZ-OD2 2.71Å; D634-D636 PolarHBondContact O-N 2.79Å; D634-D636 PolarHBondContact OD1-N 3.39Å; D636-R640 WeakPolarHBondContact O-CB 3.45Å; D636-R640 WeakPolarHBondContact O-CG 3.23Å; D636-R640 PolarHBondContact O-N 3.45Å; D636-R640 PolarHBondContact O-NE 2.91Å
637	F	95.6	Very high	94.3	Very high	35 Å²	35	57.2 Å²	57.2	15%	0.154	29%	0.291	C	S	.	.	H	α-helix	trans	-74.2	-44.9	172.5	-177	-79.8	0	0	0	113.1	Q520 R523 L524 D634 I635 N639 R640 T641	Q520-F637 HydrophobicContact CB-CE1 4.47Å; Q520-F637 HydrophobicContact CB-CZ 4.38Å; Q520-F637 VanDerWaalsContact O-CE1 3.24Å; Q520-F637 WeakPolarHBondContact O-CE1 3Å; Q520-F637 WeakPolarHBondContact O-CZ 3.24Å; R523-F637 HydrophobicContact CB-CZ 4.05Å; L524-F637 HydrophobicContact CD2-CD1 3.55Å; L524-F637 HydrophobicContact CD2-CE1 4Å; L524-F637 HydrophobicContact CD2-CG 4.33Å; L524-F637 HydrophobicContact CG-CD1 4.03Å; L524-F637 HydrophobicContact CG-CE1 3.95Å; D634-F637 HydrophobicContact CB-CB 4Å; D634-F637 WeakPolarHBondContact O-CB 3.39Å; D634-F637 PolarHBondContact O-N 3.02Å; D634-F637 WeakPolarHBondContact OD1-CB 3.42Å; D634-F637 PolarHBondContact OD1-N 3.31Å; D634-F637 VanDerWaalsContact OD2-CB 3.31Å; D634-F637 WeakPolarHBondContact OD2-CB 3.47Å; I635-F637 VanDerWaalsContact C-N 3.31Å; I635-F637 PolarHBondContact O-N 3.49Å; F637-N639 PolarHBondContact O-N 2.87Å; F637-R640 PolarHBondContact O-N 2.94Å; F637-T641 WeakPolarHBondContact CE1-OG1 3.39Å; F637-T641 WeakPolarHBondContact O-CB 3.42Å; F637-T641 PolarHBondContact O-N 3.3Å; F637-T641 PolarHBondContact O-OG1 3.35Å
638	V	96.6	Very high	94.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.2	-49.1	178.4	178.1	0	0	0	0	110	L524 L532 F625 P627 L632 D634 I635 R640 T641 Q642	L524-V638 HydrophobicContact CD1-CG2 4.34Å; L524-V638 HydrophobicContact CD2-CG2 4.1Å; L532-V638 HydrophobicContact CD1-CG1 4.23Å; L532-V638 HydrophobicContact CD1-CG2 4.01Å; L532-V638 HydrophobicContact CD2-CG1 4.04Å; F625-V638 HydrophobicContact CB-CG1 4.23Å; P627-V638 HydrophobicContact CB-CG1 4.17Å; L632-V638 HydrophobicContact CD1-CG1 4.44Å; L632-V638 HydrophobicContact CD1-CG2 4.36Å; D634-V638 PolarHBondContact O-N 3.23Å; I635-V638 PolarHBondContact O-N 3.4Å; V638-R640 PolarHBondContact O-N 2.94Å; V638-T641 WeakPolarHBondContact O-CB 3.42Å; V638-T641 PolarHBondContact O-N 3.02Å; V638-T641 VanDerWaalsContact O-N 3.11Å; V638-Q642 PolarHBondContact O-N 3.38Å
639	N	96.6	Very high	94.3	Very high	65 Å²	65	50 Å²	50	35%	0.348	26%	0.256	S	S	.	.	H	α-helix	trans	-58.1	-49.3	176.1	-174.8	-2.8	0	0	0	112.1	P627 I635 F637 T641 Q642 N643	P627-N639 HydrophobicContact CB-CB 3.89Å; P627-N639 HydrophobicContact CG-CB 4.19Å; I635-N639 WeakPolarHBondContact O-CB 3.43Å; I635-N639 PolarHBondContact O-N 3.41Å; F637-N639 PolarHBondContact O-N 2.87Å; N639-T641 PolarHBondContact O-N 3.16Å; N639-Q642 PolarHBondContact O-N 3.07Å; N639-N643 PolarHBondContact O-N 3.34Å; N639-N643 VanDerWaalsContact O-N 3.09Å; N639-N643 PolarHBondContact O-ND2 2.9Å; N639-N643 PolarHBondContact OD1-ND2 2.93Å
640	R	95.6	Very high	94.4	Very high	137 Å²	137	51.1 Å²	51.1	52%	0.517	26%	0.26	S	S	.	.	H	α-helix	trans	-57.1	-38.2	175	-81.1	176.5	-69.9	154.2	-0.4	112.3	D634 D636 F637 V638 L644	D634-R640 IonicContact OD1-NH2 2.72Å; D634-R640 IonicContact OD2-NH2 2.76Å; D636-R640 WeakPolarHBondContact O-CB 3.45Å; D636-R640 WeakPolarHBondContact O-CG 3.23Å; D636-R640 PolarHBondContact O-N 3.45Å; D636-R640 PolarHBondContact O-NE 2.91Å; F637-R640 PolarHBondContact O-N 2.94Å; V638-R640 PolarHBondContact O-N 2.94Å; R640-L644 PolarHBondContact O-N 3.42Å
641	T	95.2	Very high	94.5	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-70.4	-46.2	179.3	-60.2	0	0	0	0	111.2	Q520 F625 F637 V638 N639 N643 L644 W645	Q520-T641 HydrophobicContact CB-CG2 3.62Å; Q520-T641 HydrophobicContact CG-CG2 3.96Å; F625-T641 HydrophobicContact CB-CG2 4.33Å; F625-T641 HydrophobicContact CD1-CG2 3.62Å; F625-T641 HydrophobicContact CD2-CG2 3.67Å; F625-T641 HydrophobicContact CE1-CG2 3.7Å; F625-T641 HydrophobicContact CE2-CG2 3.75Å; F625-T641 HydrophobicContact CG-CG2 3.6Å; F625-T641 HydrophobicContact CZ-CG2 3.75Å; F637-T641 WeakPolarHBondContact CE1-OG1 3.39Å; F637-T641 WeakPolarHBondContact O-CB 3.42Å; F637-T641 PolarHBondContact O-N 3.3Å; F637-T641 PolarHBondContact O-OG1 3.35Å; V638-T641 WeakPolarHBondContact O-CB 3.42Å; V638-T641 PolarHBondContact O-N 3.02Å; V638-T641 VanDerWaalsContact O-N 3.11Å; N639-T641 PolarHBondContact O-N 3.16Å; T641-N643 VanDerWaalsContact C-N 3.25Å; T641-N643 PolarHBondContact O-N 2.9Å; T641-L644 WeakPolarHBondContact O-CB 3.36Å; T641-L644 PolarHBondContact O-N 3.17Å; T641-W645 PolarHBondContact O-N 3.17Å
642	Q	96.1	Very high	94.6	Very high	28 Å²	28	45.8 Å²	45.8	13%	0.131	23%	0.226	C	C	.	.	H	α-helix	trans	-55.7	-41.3	176.1	-155.6	-170	38.7	0	0	112.2	V622 F625 P627 V638 N639 L644 W645 A646	V622-Q642 HydrophobicContact CG1-CG 4.13Å; V622-Q642 PolarHBondContact O-NE2 3.32Å; F625-Q642 HydrophobicContact CB-CB 4.19Å; F625-Q642 HydrophobicContact CB-CG 4.46Å; F625-Q642 WeakPolarHBondContact O-CB 3.5Å; F625-Q642 VanDerWaalsContact O-CD 3.28Å; F625-Q642 WeakPolarHBondContact O-CG 3.36Å; F625-Q642 PolarHBondContact O-NE2 2.88Å; P627-Q642 VanDerWaalsContact CD-OE1 3.27Å; V638-Q642 PolarHBondContact O-N 3.38Å; N639-Q642 PolarHBondContact O-N 3.07Å; Q642-L644 VanDerWaalsContact C-N 3.3Å; Q642-L644 PolarHBondContact O-N 2.89Å; Q642-W645 PolarHBondContact O-N 2.88Å; Q642-W645 VanDerWaalsContact O-N 3.16Å; Q642-A646 WeakPolarHBondContact O-CB 3.49Å; Q642-A646 PolarHBondContact O-N 3.3Å
643	N	95	Very high	94.6	Very high	94 Å²	94	45.2 Å²	45.2	50%	0.503	22%	0.223	S	C	.	.	H	α-helix	trans	-63.7	-32.5	177.5	-80.7	-85.7	0	0	0	112.7	N639 T641 E647	N639-N643 PolarHBondContact O-N 3.34Å; N639-N643 VanDerWaalsContact O-N 3.09Å; N639-N643 PolarHBondContact O-ND2 2.9Å; N639-N643 PolarHBondContact OD1-ND2 2.93Å; T641-N643 VanDerWaalsContact C-N 3.25Å; T641-N643 PolarHBondContact O-N 2.9Å; N643-E647 WeakPolarHBondContact O-CB 3.42Å; N643-E647 PolarHBondContact O-N 3.11Å
644	L	94.1	Very high	94.5	Very high	37 Å²	37	42.3 Å²	42.3	19%	0.194	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-41.9	172.5	-64.3	172.4	0	0	0	111.4	L419 N421 R640 T641 Q642 L648	L419-L644 HydrophobicContact CB-CB 4.37Å; L419-L644 HydrophobicContact CD2-CB 4Å; N421-L644 HydrophobicContact CB-CD1 4.47Å; N421-L644 HydrophobicContact CB-CD2 3.99Å; R640-L644 PolarHBondContact O-N 3.42Å; T641-L644 WeakPolarHBondContact O-CB 3.36Å; T641-L644 PolarHBondContact O-N 3.17Å; Q642-L644 VanDerWaalsContact C-N 3.3Å; Q642-L644 PolarHBondContact O-N 2.89Å; L644-L648 WeakPolarHBondContact O-CB 3.32Å; L644-L648 PolarHBondContact O-N 3.24Å
645	W	95.1	Very high	94.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-42.4	177.3	-71.7	104.8	0	0	0	112.7	L419 F443 F514 L518 P618 V622 F625 T641 Q642 L648 L649	L419-W645 HydrophobicContact CD1-CD2 4.32Å; L419-W645 HydrophobicContact CD1-CE3 4.3Å; L419-W645 HydrophobicContact CD1-CH2 3.72Å; L419-W645 HydrophobicContact CD1-CZ2 3.65Å; L419-W645 HydrophobicContact CD1-CZ3 4.07Å; L419-W645 HydrophobicContact CD2-CD2 3.63Å; L419-W645 HydrophobicContact CD2-CE3 3.9Å; L419-W645 HydrophobicContact CD2-CG 3.93Å; L419-W645 HydrophobicContact CD2-CZ2 4.41Å; L419-W645 HydrophobicContact CD2-CZ3 4.47Å; F443-W645 HydrophobicContact CE1-CH2 4.27Å; F443-W645 AromaticContact CE1-CZ3 3.92Å; F443-W645 HydrophobicContact CE1-CZ3 3.92Å; F443-W645 HydrophobicContact CZ-CH2 4.19Å; F443-W645 AromaticContact CZ-CZ3 3.61Å; F443-W645 HydrophobicContact CZ-CZ3 3.61Å; F514-W645 HydrophobicContact CZ-CH2 4.45Å; L518-W645 HydrophobicContact CD1-CH2 4.33Å; L518-W645 HydrophobicContact CD1-CZ2 3.81Å; L518-W645 HydrophobicContact CD2-CH2 3.82Å; L518-W645 HydrophobicContact CD2-CZ2 3.86Å; L518-W645 HydrophobicContact CG-CZ2 4.28Å; P618-W645 HydrophobicContact CB-CE3 4.3Å; V622-W645 HydrophobicContact CG2-CB 3.78Å; F625-W645 AromaticContact CD2-CD1 3.59Å; F625-W645 AromaticContact CD2-NE1 3.36Å; F625-W645 HydrophobicContact CE2-CZ2 4.44Å; F625-W645 AromaticContact CE2-NE1 3.29Å; F625-W645 VanDerWaalsContact CE2-NE1 3.29Å; T641-W645 PolarHBondContact O-N 3.17Å; Q642-W645 PolarHBondContact O-N 2.88Å; Q642-W645 VanDerWaalsContact O-N 3.16Å; W645-L648 PolarHBondContact O-N 3.43Å; W645-L649 PolarHBondContact O-N 3.26Å; W645-L649 VanDerWaalsContact O-N 3.1Å
646	A	94.1	Very high	94.1	Very high	30 Å²	30	42.2 Å²	42.2	25%	0.248	21%	0.211	C	C	.	.	H	α-helix	trans	-67.1	-40.7	176.8	0	0	0	0	0	112.2	V622 Q642 L649 R650	V622-A646 HydrophobicContact CG2-CB 4.04Å; Q642-A646 WeakPolarHBondContact O-CB 3.49Å; Q642-A646 PolarHBondContact O-N 3.3Å; A646-L649 PolarHBondContact O-N 3.2Å; A646-R650 WeakPolarHBondContact O-CB 3.19Å; A646-R650 PolarHBondContact O-N 3.41Å
647	E	92.5	Very high	93.5	Very high	48 Å²	48	41.1 Å²	41.1	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-68.3	-37.4	176.1	176.1	64.8	-179.6	0	0	112.2	N643 R650 R651	N643-E647 WeakPolarHBondContact O-CB 3.42Å; N643-E647 PolarHBondContact O-N 3.11Å; E647-R650 VanDerWaalsContact CD-NH1 3.29Å; E647-R650 PolarHBondContact O-N 3.46Å; E647-R650 IonicContact OE1-NH1 3.11Å; E647-R650 PolarHBondContact OE1-NH1 3.4Å; E647-R650 VanDerWaalsContact OE1-NH1 3.13Å; E647-R650 IonicContact OE2-CZ 3.6Å; E647-R650 IonicContact OE2-NH1 2.78Å; E647-R650 PolarHBondContact OE2-NH1 3.16Å; E647-R651 VanDerWaalsContact CG-NH2 3.28Å; E647-R651 WeakPolarHBondContact O-CG 3.36Å; E647-R651 PolarHBondContact O-N 2.84Å; E647-R651 IonicContact OE1-CZ 3.86Å; E647-R651 VanDerWaalsContact OE1-CZ 3.3Å; E647-R651 IonicContact OE1-NE 2.67Å; E647-R651 PolarHBondContact OE1-NE 2.86Å; E647-R651 IonicContact OE1-NH2 3.33Å; E647-R651 PolarHBondContact OE1-NH2 3.41Å
648	L	93.6	Very high	93.1	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-60.5	-47.8	172.8	179.8	62.4	0	0	0	111.2	L419 D436 T439 L440 F443 P618 L644 W645 R650 R651 Y652	L419-L648 HydrophobicContact CD1-CD2 4.43Å; L419-L648 HydrophobicContact CD2-CB 4.31Å; L419-L648 HydrophobicContact CD2-CD2 3.86Å; L419-L648 HydrophobicContact CG-CD2 4.07Å; D436-L648 HydrophobicContact CB-CD1 3.62Å; T439-L648 HydrophobicContact CG2-CD2 4.4Å; L440-L648 HydrophobicContact CD1-CD1 3.92Å; L440-L648 HydrophobicContact CD2-CD1 4.39Å; L440-L648 HydrophobicContact CD2-CD2 4.5Å; L440-L648 HydrophobicContact CD2-CG 4.26Å; L440-L648 HydrophobicContact CG-CD1 4Å; L440-L648 HydrophobicContact CG-CG 4.39Å; F443-L648 HydrophobicContact CE2-CD2 4.25Å; F443-L648 HydrophobicContact CZ-CD2 4.46Å; P618-L648 HydrophobicContact CG-CD2 4.29Å; L644-L648 WeakPolarHBondContact O-CB 3.32Å; L644-L648 PolarHBondContact O-N 3.24Å; W645-L648 PolarHBondContact O-N 3.43Å; L648-R650 VanDerWaalsContact C-N 3.34Å; L648-R650 PolarHBondContact O-N 3.11Å; L648-R651 PolarHBondContact O-N 3.32Å; L648-Y652 PolarHBondContact O-N 3.32Å; L648-Y652 VanDerWaalsContact O-N 3.12Å
649	L	94	Very high	92.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-42.9	175.6	-177.9	59.9	0	0	0	111.7	E615 P618 L619 W645 A646 Y652 C653 L665 I666	E615-L649 HydrophobicContact CB-CD1 3.95Å; E615-L649 HydrophobicContact CG-CD1 4.02Å; P618-L649 HydrophobicContact CB-CB 3.93Å; P618-L649 HydrophobicContact CB-CD1 4.3Å; L619-L649 HydrophobicContact CD1-CD2 4.31Å; W645-L649 PolarHBondContact O-N 3.26Å; W645-L649 VanDerWaalsContact O-N 3.1Å; A646-L649 PolarHBondContact O-N 3.2Å; L649-Y652 PolarHBondContact O-N 3.26Å; L649-C653 PolarHBondContact O-N 2.88Å; L649-C653 PolarHBondContact O-SG 2.93Å; L649-L665 HydrophobicContact CD1-CD1 4.02Å; L649-L665 HydrophobicContact CD2-CB 4.41Å; L649-L665 HydrophobicContact CD2-CD1 4.42Å; L649-L665 HydrophobicContact CG-CD1 4.5Å; L649-I666 HydrophobicContact CD2-CD1 4.45Å
650	R	93.9	Very high	92.3	Very high	65 Å²	65	50.1 Å²	50.1	25%	0.245	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-52.2	177.3	-178	-171.7	147.1	-111.4	-22	111.6	A646 E647 L648 Y652 C653 E654 C662	A646-R650 WeakPolarHBondContact O-CB 3.19Å; A646-R650 PolarHBondContact O-N 3.41Å; E647-R650 VanDerWaalsContact CD-NH1 3.29Å; E647-R650 PolarHBondContact O-N 3.46Å; E647-R650 IonicContact OE1-NH1 3.11Å; E647-R650 PolarHBondContact OE1-NH1 3.4Å; E647-R650 VanDerWaalsContact OE1-NH1 3.13Å; E647-R650 IonicContact OE2-CZ 3.6Å; E647-R650 IonicContact OE2-NH1 2.78Å; E647-R650 PolarHBondContact OE2-NH1 3.16Å; L648-R650 VanDerWaalsContact C-N 3.34Å; L648-R650 PolarHBondContact O-N 3.11Å; R650-Y652 VanDerWaalsContact C-N 3.28Å; R650-Y652 PolarHBondContact O-N 2.89Å; R650-C653 PolarHBondContact O-N 3.4Å; R650-E654 WeakPolarHBondContact CG-OE1 3.42Å; R650-E654 IonicContact CZ-OE1 3.51Å; R650-E654 IonicContact CZ-OE2 3.75Å; R650-E654 IonicContact NE-OE1 3.95Å; R650-E654 PolarHBondContact NE-OE1 3.15Å; R650-E654 IonicContact NE-OE2 3.79Å; R650-E654 VanDerWaalsContact NH2-CD 3.33Å; R650-E654 IonicContact NH2-OE1 3.53Å; R650-E654 PolarHBondContact NH2-OE1 3.04Å; R650-E654 VanDerWaalsContact NH2-OE1 3.11Å; R650-E654 IonicContact NH2-OE2 2.72Å; R650-E654 PolarHBondContact NH2-OE2 3.06Å; R650-E654 PolarHBondContact O-N 3.49Å; R650-C662 VanDerWaalsContact CA-SG 3.56Å; R650-C662 HydrophobicContact CB-CB 4.41Å
651	R	92.2	Very high	92.1	Very high	12 Å²	12	46.3 Å²	46.3	5%	0.045	26%	0.258	C	S	.	.	H	α-helix	trans	-60	-37.4	179.5	-71.4	-179.2	-165.9	157	9.4	112.4	L432 D436 E647 L648 E654 S655	L432-R651 HydrophobicContact CB-CB 4.23Å; L432-R651 HydrophobicContact CD1-CB 3.58Å; D436-R651 IonicContact OD1-NH1 3.35Å; D436-R651 IonicContact OD2-CZ 3.81Å; D436-R651 IonicContact OD2-NH1 3.48Å; D436-R651 PolarHBondContact OD2-NH1 3.48Å; E647-R651 VanDerWaalsContact CG-NH2 3.28Å; E647-R651 WeakPolarHBondContact O-CG 3.36Å; E647-R651 PolarHBondContact O-N 2.84Å; E647-R651 IonicContact OE1-CZ 3.86Å; E647-R651 VanDerWaalsContact OE1-CZ 3.3Å; E647-R651 IonicContact OE1-NE 2.67Å; E647-R651 PolarHBondContact OE1-NE 2.86Å; E647-R651 IonicContact OE1-NH2 3.33Å; E647-R651 PolarHBondContact OE1-NH2 3.41Å; L648-R651 PolarHBondContact O-N 3.32Å; R651-E654 PolarHBondContact O-N 2.87Å; R651-S655 WeakPolarHBondContact O-CB 3.4Å; R651-S655 PolarHBondContact O-N 2.67Å; R651-S655 PolarHBondContact O-OG 2.87Å
652	Y	93.5	Very high	92	Very high	24 Å²	24	46.8 Å²	46.8	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-67.8	-40.7	176.4	-178.4	-107.5	0	0	0	112.7	L440 M614 E615 L648 L649 R650 S655 N656	L440-Y652 HydrophobicContact CD1-CD2 3.76Å; L440-Y652 HydrophobicContact CD1-CG 4.13Å; L440-Y652 HydrophobicContact CD2-CD2 4.39Å; L440-Y652 HydrophobicContact CD2-CG 4.28Å; M614-Y652 HydrophobicContact CB-CD1 4.29Å; M614-Y652 HydrophobicContact CB-CE1 3.59Å; M614-Y652 HydrophobicContact CB-CE2 4.06Å; M614-Y652 VanDerWaalsContact CB-CZ 3.43Å; M614-Y652 WeakPolarHBondContact CB-OH 3.4Å; M614-Y652 HydrophobicContact CE-CE2 4.36Å; M614-Y652 HydrophobicContact CG-CE1 4.49Å; M614-Y652 HydrophobicContact CG-CE2 4.44Å; M614-Y652 WeakPolarHBondContact CG-OH 3.37Å; E615-Y652 HydrophobicContact CG-CD1 3.75Å; E615-Y652 HydrophobicContact CG-CE1 3.64Å; L648-Y652 PolarHBondContact O-N 3.32Å; L648-Y652 VanDerWaalsContact O-N 3.12Å; L649-Y652 PolarHBondContact O-N 3.26Å; R650-Y652 VanDerWaalsContact C-N 3.28Å; R650-Y652 PolarHBondContact O-N 2.89Å; Y652-S655 WeakPolarHBondContact CA-OG 3.32Å; Y652-S655 PolarHBondContact O-OG 2.65Å; Y652-N656 VanDerWaalsContact CE1-ND2 3.28Å; Y652-N656 WeakPolarHBondContact CE1-ND2 3.43Å; Y652-N656 WeakPolarHBondContact O-CB 3.33Å; Y652-N656 VanDerWaalsContact O-CG 3.29Å; Y652-N656 PolarHBondContact O-N 2.89Å; Y652-N656 VanDerWaalsContact O-N 3.09Å; Y652-N656 PolarHBondContact OH-ND2 3.2Å
653	C	92.8	Very high	91.8	Very high	1 Å²	1	48 Å²	48	1%	0.007	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-41.5	172.2	-72.4	0	0	0	0	112.2	L649 R650 N656 G657 S658 R661 C662	L649-C653 PolarHBondContact O-N 2.88Å; L649-C653 PolarHBondContact O-SG 2.93Å; R650-C653 PolarHBondContact O-N 3.4Å; C653-N656 PolarHBondContact O-N 2.92Å; C653-G657 PolarHBondContact O-N 3.03Å; C653-S658 CarbonylContact C-O 3.46Å; C653-S658 CarbonylContact O-C 3.56Å; C653-S658 PolarHBondContact O-N 3.38Å; C653-R661 HydrophobicContact CB-CB 4.22Å; C653-C662 HydrophobicContact CB-CB 3.89Å
654	E	91.7	Very high	91.6	Very high	62 Å²	62	48 Å²	48	29%	0.29	27%	0.273	S	S	.	.	H	α-helix	trans	-69.4	-39.7	178.3	-73.5	178.3	-164.7	0	0	112.4	R650 R651 N656 G657	R650-E654 WeakPolarHBondContact CG-OE1 3.42Å; R650-E654 IonicContact CZ-OE1 3.51Å; R650-E654 IonicContact CZ-OE2 3.75Å; R650-E654 IonicContact NE-OE1 3.95Å; R650-E654 PolarHBondContact NE-OE1 3.15Å; R650-E654 IonicContact NE-OE2 3.79Å; R650-E654 VanDerWaalsContact NH2-CD 3.33Å; R650-E654 IonicContact NH2-OE1 3.53Å; R650-E654 PolarHBondContact NH2-OE1 3.04Å; R650-E654 VanDerWaalsContact NH2-OE1 3.11Å; R650-E654 IonicContact NH2-OE2 2.72Å; R650-E654 PolarHBondContact NH2-OE2 3.06Å; R650-E654 PolarHBondContact O-N 3.49Å; R651-E654 PolarHBondContact O-N 2.87Å; E654-N656 VanDerWaalsContact C-N 3.3Å; E654-N656 PolarHBondContact O-N 3.44Å; E654-G657 PolarHBondContact O-N 2.93Å
655	S	91.4	Very high	91.5	Very high	61 Å²	61	46.2 Å²	46.2	43%	0.427	26%	0.264	S	S	.	.	H	α-helix	trans	-66.1	-32	174.3	62.8	0	0	0	0	112.9	R651 Y652 G657	R651-S655 WeakPolarHBondContact O-CB 3.4Å; R651-S655 PolarHBondContact O-N 2.67Å; R651-S655 PolarHBondContact O-OG 2.87Å; Y652-S655 WeakPolarHBondContact CA-OG 3.32Å; Y652-S655 PolarHBondContact O-OG 2.65Å; S655-G657 PolarHBondContact O-N 2.77Å
656	N	89.9	Confident	91.3	Very high	88 Å²	88	49.3 Å²	49.3	47%	0.471	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	13.7	171.5	-67.9	-7.1	0	0	0	112.9	Y652 C653 E654 S658	Y652-N656 VanDerWaalsContact CE1-ND2 3.28Å; Y652-N656 WeakPolarHBondContact CE1-ND2 3.43Å; Y652-N656 WeakPolarHBondContact O-CB 3.33Å; Y652-N656 VanDerWaalsContact O-CG 3.29Å; Y652-N656 PolarHBondContact O-N 2.89Å; Y652-N656 VanDerWaalsContact O-N 3.09Å; Y652-N656 PolarHBondContact OH-ND2 3.2Å; C653-N656 PolarHBondContact O-N 2.92Å; E654-N656 VanDerWaalsContact C-N 3.3Å; E654-N656 PolarHBondContact O-N 3.44Å; N656-S658 PolarHBondContact O-N 3.24Å
657	G	84.1	Confident	91.2	Very high	69 Å²	69	53.1 Å²	53.1	71%	0.711	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	11.5	172.1	0	0	0	0	0	115.6	C653 E654 S655	C653-G657 PolarHBondContact O-N 3.03Å; E654-G657 PolarHBondContact O-N 2.93Å; S655-G657 PolarHBondContact O-N 2.77Å
658	S	86.8	Confident	91.2	Very high	38 Å²	38	50.9 Å²	50.9	27%	0.266	28%	0.283	S	S	.	.			trans	-125.5	89.7	-174.5	-162.9	0	0	0	0	113.7	C653 N656 T660 R661	C653-S658 CarbonylContact C-O 3.46Å; C653-S658 CarbonylContact O-C 3.56Å; C653-S658 PolarHBondContact O-N 3.38Å; N656-S658 PolarHBondContact O-N 3.24Å; S658-T660 PolarHBondContact O-N 3.24Å; S658-R661 PolarHBondContact O-N 2.8Å; S658-R661 WeakPolarHBondContact OG-CB 3.35Å
659	Q	85.8	Confident	91.2	Very high	167 Å²	167	51 Å²	51	78%	0.78	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.4	175.8	-64.7	176.3	-6.5	0	0	113.4
660	T	90.3	Very high	91.1	Very high	84 Å²	84	54.6 Å²	54.6	52%	0.515	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-17.6	-178.6	56	0	0	0	0	114	S658 C662 A663 H664	S658-T660 PolarHBondContact O-N 3.24Å; T660-C662 PolarHBondContact O-N 3.45Å; T660-A663 WeakPolarHBondContact O-CB 3.34Å; T660-A663 PolarHBondContact O-N 3.2Å; T660-A663 VanDerWaalsContact O-N 3.14Å; T660-H664 PolarHBondContact O-N 3.08Å; T660-H664 PolarHBondContact O-ND1 3.11Å
661	R	92.7	Very high	91.1	Very high	56 Å²	56	53.3 Å²	53.3	21%	0.211	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-38.9	-176.2	-176.8	166.7	172.5	88.6	1.3	112.7	L609 H610 E615 C653 S658 A663 H664 L665	L609-R661 PolarHBondContact O-NH1 3.34Å; L609-R661 PolarHBondContact O-NH2 3.23Å; H610-R661 PolarHBondContact O-NH2 3.17Å; H610-R661 VanDerWaalsContact O-NH2 3.17Å; E615-R661 IonicContact OE1-CZ 3.23Å; E615-R661 VanDerWaalsContact OE1-CZ 3.23Å; E615-R661 IonicContact OE1-NE 2.89Å; E615-R661 PolarHBondContact OE1-NE 3.41Å; E615-R661 IonicContact OE1-NH2 2.96Å; E615-R661 PolarHBondContact OE1-NH2 3.14Å; E615-R661 IonicContact OE2-CZ 2.84Å; E615-R661 IonicContact OE2-NH2 2.68Å; E615-R661 PolarHBondContact OE2-NH2 2.98Å; C653-R661 HydrophobicContact CB-CB 4.22Å; S658-R661 PolarHBondContact O-N 2.8Å; S658-R661 WeakPolarHBondContact OG-CB 3.35Å; R661-A663 VanDerWaalsContact C-N 3.34Å; R661-A663 PolarHBondContact O-N 3.19Å; R661-H664 PolarHBondContact O-N 2.89Å; R661-L665 HydrophobicContact CG-CD1 4.26Å; R661-L665 WeakPolarHBondContact O-CG 3.26Å; R661-L665 PolarHBondContact O-N 3.12Å
662	C	91.7	Very high	91.3	Very high	16 Å²	16	52.8 Å²	52.8	11%	0.108	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-42.4	174.5	-171.8	0	0	0	0	111.8	R650 C653 T660 H664 L665 I666	R650-C662 VanDerWaalsContact CA-SG 3.56Å; R650-C662 HydrophobicContact CB-CB 4.41Å; C653-C662 HydrophobicContact CB-CB 3.89Å; T660-C662 PolarHBondContact O-N 3.45Å; C662-H664 PolarHBondContact O-N 3.03Å; C662-L665 PolarHBondContact O-N 3.33Å; C662-I666 WeakPolarHBondContact O-CG1 3.21Å; C662-I666 PolarHBondContact O-N 2.76Å
663	A	91.5	Very high	91.4	Very high	54 Å²	54	55.3 Å²	55.3	45%	0.446	32%	0.316	S	S	.	.	H	α-helix	trans	-62.6	-43.5	176.6	0	0	0	0	0	111.5	T660 R661 L665 I666 M667	T660-A663 WeakPolarHBondContact O-CB 3.34Å; T660-A663 PolarHBondContact O-N 3.2Å; T660-A663 VanDerWaalsContact O-N 3.14Å; R661-A663 VanDerWaalsContact C-N 3.34Å; R661-A663 PolarHBondContact O-N 3.19Å; A663-L665 VanDerWaalsContact C-N 3.3Å; A663-L665 PolarHBondContact O-N 2.66Å; A663-I666 PolarHBondContact O-N 3.34Å; A663-M667 WeakPolarHBondContact O-CB 3.29Å; A663-M667 VanDerWaalsContact O-CG 3.28Å; A663-M667 WeakPolarHBondContact O-CG 3.46Å; A663-M667 PolarHBondContact O-N 2.75Å
664	H	91.2	Very high	91.4	Very high	92 Å²	92	60.3 Å²	60.3	43%	0.426	34%	0.339	S	S	.	.	H	α-helix	trans	-61.7	-34.8	175.7	-64	140.5	0	0	0	113.5	R605 L609 T660 R661 C662 V668	R605-H664 PolarHBondContact NH2-O 2.8Å; L609-H664 HydrophobicContact CD2-CB 4.24Å; T660-H664 PolarHBondContact O-N 3.08Å; T660-H664 PolarHBondContact O-ND1 3.11Å; R661-H664 PolarHBondContact O-N 2.89Å; C662-H664 PolarHBondContact O-N 3.03Å; H664-V668 PolarHBondContact O-N 3.06Å
665	L	92.7	Very high	91.5	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-72.9	-44	175.6	-69.8	172.7	0	0	0	112.2	L609 L611 E615 L649 R661 C662 A663 M667 V668	L609-L665 HydrophobicContact CD1-CD2 4.41Å; L611-L665 HydrophobicContact CD1-CD2 4.18Å; L611-L665 HydrophobicContact CD2-CD2 3.92Å; L611-L665 HydrophobicContact CG-CD2 3.81Å; E615-L665 HydrophobicContact CB-CD1 4.21Å; E615-L665 HydrophobicContact CG-CD1 4.19Å; L649-L665 HydrophobicContact CD1-CD1 4.02Å; L649-L665 HydrophobicContact CD2-CB 4.41Å; L649-L665 HydrophobicContact CD2-CD1 4.42Å; L649-L665 HydrophobicContact CG-CD1 4.5Å; R661-L665 HydrophobicContact CG-CD1 4.26Å; R661-L665 WeakPolarHBondContact O-CG 3.26Å; R661-L665 PolarHBondContact O-N 3.12Å; C662-L665 PolarHBondContact O-N 3.33Å; A663-L665 VanDerWaalsContact C-N 3.3Å; A663-L665 PolarHBondContact O-N 2.66Å; L665-M667 VanDerWaalsContact C-N 3.27Å; L665-M667 PolarHBondContact O-N 3.13Å; L665-V668 WeakPolarHBondContact O-CB 3.33Å; L665-V668 WeakPolarHBondContact O-CG2 3.34Å; L665-V668 PolarHBondContact O-N 2.82Å
666	I	91.5	Very high	91.6	Very high	64 Å²	64	55.4 Å²	55.4	33%	0.328	31%	0.31	S	S	.	.	H	α-helix	trans	-64.1	-34.5	174	-63.5	-61.4	0	0	0	111	V622 L649 C662 A663 V668 L669	V622-I666 HydrophobicContact CG1-CD1 4.37Å; L649-I666 HydrophobicContact CD2-CD1 4.45Å; C662-I666 WeakPolarHBondContact O-CG1 3.21Å; C662-I666 PolarHBondContact O-N 2.76Å; A663-I666 PolarHBondContact O-N 3.34Å; I666-V668 PolarHBondContact O-N 3.45Å; I666-V668 VanDerWaalsContact O-N 3.16Å; I666-L669 HydrophobicContact CD1-CD1 4.01Å; I666-L669 WeakPolarHBondContact O-CB 3.46Å; I666-L669 PolarHBondContact O-N 2.89Å
667	M	91	Very high	91.8	Very high	110 Å²	110	55 Å²	55	54%	0.542	31%	0.314	S	S	.	.	H	α-helix	trans	-68.2	-2.5	170.1	-72.3	-178.7	73.8	0	0	114.6	R605 A663 L665 T671	R605-M667 PolarHBondContact NH1-O 3.42Å; R605-M667 PolarHBondContact NH2-O 3.34Å; A663-M667 WeakPolarHBondContact O-CB 3.29Å; A663-M667 VanDerWaalsContact O-CG 3.28Å; A663-M667 WeakPolarHBondContact O-CG 3.46Å; A663-M667 PolarHBondContact O-N 2.75Å; L665-M667 VanDerWaalsContact C-N 3.27Å; L665-M667 PolarHBondContact O-N 3.13Å; M667-T671 PolarHBondContact O-OG1 3.18Å
668	V	92.1	Very high	92.2	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-77.3	-37.2	165.4	179.2	0	0	0	0	109.5	F602 L606 L609 H664 L665 I666 S670 T671 L672	F602-V668 HydrophobicContact CE2-CG1 3.59Å; F602-V668 HydrophobicContact CZ-CG1 3.64Å; L606-V668 HydrophobicContact CD1-CG1 3.83Å; L606-V668 HydrophobicContact CD1-CG2 4.44Å; L609-V668 HydrophobicContact CD1-CG2 3.64Å; H664-V668 PolarHBondContact O-N 3.06Å; L665-V668 WeakPolarHBondContact O-CB 3.33Å; L665-V668 WeakPolarHBondContact O-CG2 3.34Å; L665-V668 PolarHBondContact O-N 2.82Å; I666-V668 PolarHBondContact O-N 3.45Å; I666-V668 VanDerWaalsContact O-N 3.16Å; V668-S670 PolarHBondContact O-N 3.28Å; V668-T671 PolarHBondContact O-N 2.89Å; V668-T671 PolarHBondContact O-OG1 2.88Å; V668-L672 WeakPolarHBondContact O-CB 3.41Å; V668-L672 PolarHBondContact O-N 2.93Å
669	L	93.8	Very high	92.5	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-37.9	-172.7	-58.3	-178.1	0	0	0	113.4	L619 V622 I623 I666 L672 R673	L619-L669 HydrophobicContact CD1-CD1 4.14Å; L619-L669 HydrophobicContact CD1-CD2 3.67Å; L619-L669 HydrophobicContact CD1-CG 3.99Å; L619-L669 HydrophobicContact CG-CD2 4.06Å; V622-L669 HydrophobicContact CB-CD1 4.37Å; V622-L669 HydrophobicContact CG1-CD1 3.56Å; I623-L669 HydrophobicContact CD1-CD2 3.65Å; I623-L669 HydrophobicContact CG1-CD2 3.5Å; I666-L669 HydrophobicContact CD1-CD1 4.01Å; I666-L669 WeakPolarHBondContact O-CB 3.46Å; I666-L669 PolarHBondContact O-N 2.89Å; L669-L672 HydrophobicContact CD2-CD2 4.39Å; L669-L672 PolarHBondContact O-N 3.38Å; L669-R673 WeakPolarHBondContact O-CB 3.49Å; L669-R673 WeakPolarHBondContact O-CD 3.5Å; L669-R673 VanDerWaalsContact O-CG 3.28Å; L669-R673 WeakPolarHBondContact O-CG 3.49Å; L669-R673 PolarHBondContact O-N 3.09Å
670	S	92.9	Very high	92.8	Very high	75 Å²	75	45.5 Å²	45.5	52%	0.524	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-48.8	175.4	51.4	0	0	0	0	111.5	V668 R673 E674	V668-S670 PolarHBondContact O-N 3.28Å; S670-R673 PolarHBondContact O-N 2.75Å; S670-E674 PolarHBondContact O-N 3.45Å; S670-E674 VanDerWaalsContact O-N 3.16Å
671	T	94.1	Very high	92.8	Very high	39 Å²	39	47.8 Å²	47.8	24%	0.239	25%	0.253	C	S	.	.	H	α-helix	trans	-64.7	-37.2	174.5	40.4	0	0	0	0	112.7	F602 M667 V668 E674 L675	F602-T671 WeakPolarHBondContact CE2-OG1 3.23Å; M667-T671 PolarHBondContact O-OG1 3.18Å; V668-T671 PolarHBondContact O-N 2.89Å; V668-T671 PolarHBondContact O-OG1 2.88Å; T671-E674 PolarHBondContact O-N 2.83Å; T671-L675 VanDerWaalsContact O-CG 3.23Å; T671-L675 WeakPolarHBondContact O-CG 3.15Å; T671-L675 PolarHBondContact O-N 2.85Å
672	L	96.1	Very high	92.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-44.6	177.7	179.6	65.4	0	0	0	111.5	E539 I542 L543 F602 I623 V668 L669 L675 A676	E539-L672 HydrophobicContact CB-CD2 4.06Å; E539-L672 HydrophobicContact CB-CG 4.27Å; E539-L672 HydrophobicContact CG-CG 4.38Å; I542-L672 HydrophobicContact CB-CD1 4.22Å; I542-L672 HydrophobicContact CG2-CD1 4.01Å; L543-L672 HydrophobicContact CB-CD1 3.9Å; L543-L672 HydrophobicContact CB-CD2 3.9Å; L543-L672 HydrophobicContact CD1-CD2 4.33Å; L543-L672 HydrophobicContact CD2-CD2 4.24Å; L543-L672 HydrophobicContact CG-CD2 4.38Å; F602-L672 HydrophobicContact CE1-CD1 4.14Å; F602-L672 HydrophobicContact CE2-CB 4.35Å; F602-L672 HydrophobicContact CZ-CB 4.02Å; F602-L672 HydrophobicContact CZ-CD1 3.9Å; I623-L672 HydrophobicContact CD1-CD2 3.78Å; V668-L672 WeakPolarHBondContact O-CB 3.41Å; V668-L672 PolarHBondContact O-N 2.93Å; L669-L672 HydrophobicContact CD2-CD2 4.39Å; L669-L672 PolarHBondContact O-N 3.38Å; L672-L675 PolarHBondContact O-N 2.94Å; L672-A676 VanDerWaalsContact O-CB 3.23Å; L672-A676 WeakPolarHBondContact O-CB 3.23Å; L672-A676 PolarHBondContact O-N 2.89Å
673	R	94.3	Very high	92.7	Very high	78 Å²	78	46 Å²	46	29%	0.294	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-41.2	178.3	-75.7	165.1	-176.7	175	-4.7	112.2	E539 T626 L669 S670 S677	E539-R673 VanDerWaalsContact CD-CG 3.41Å; E539-R673 HydrophobicContact CG-CG 4.08Å; E539-R673 IonicContact OE1-NE 3.85Å; E539-R673 WeakPolarHBondContact OE2-CG 3.42Å; E539-R673 IonicContact OE2-CZ 3.82Å; E539-R673 IonicContact OE2-NE 3.33Å; E539-R673 PolarHBondContact OE2-NE 2.85Å; E539-R673 IonicContact OE2-NH2 2.87Å; T626-R673 PolarHBondContact OG1-NH2 3.5Å; L669-R673 WeakPolarHBondContact O-CB 3.49Å; L669-R673 WeakPolarHBondContact O-CD 3.5Å; L669-R673 VanDerWaalsContact O-CG 3.28Å; L669-R673 WeakPolarHBondContact O-CG 3.49Å; L669-R673 PolarHBondContact O-N 3.09Å; S670-R673 PolarHBondContact O-N 2.75Å; R673-S677 WeakPolarHBondContact O-CB 3.4Å; R673-S677 PolarHBondContact O-N 2.85Å
674	E	93.4	Very high	92.6	Very high	105 Å²	105	44.5 Å²	44.5	49%	0.491	23%	0.23	S	C	.	.	H	α-helix	trans	-62.3	-48	174.6	-167.8	-169.6	155.4	0	0	111.6	S670 T671 K678	S670-E674 PolarHBondContact O-N 3.45Å; S670-E674 VanDerWaalsContact O-N 3.16Å; T671-E674 PolarHBondContact O-N 2.83Å; E674-K678 HydrophobicContact CG-CD 4.18Å; E674-K678 WeakPolarHBondContact O-CB 3.4Å; E674-K678 WeakPolarHBondContact O-CG 3.48Å; E674-K678 PolarHBondContact O-N 3.42Å; E674-K678 WeakPolarHBondContact OE1-CE 3.23Å; E674-K678 IonicContact OE1-NZ 2.66Å; E674-K678 PolarHBondContact OE1-NZ 2.91Å
675	L	94.2	Very high	92.4	Very high	17 Å²	17	41.7 Å²	41.7	9%	0.089	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-52	178.6	-66.2	169.7	0	0	0	111.2	I594 I599 F602 T671 L672 S677 K678 I679	I594-L675 HydrophobicContact CD1-CB 4.28Å; I594-L675 HydrophobicContact CD1-CD2 3.48Å; I594-L675 VanDerWaalsContact CD1-CD2 3.48Å; I594-L675 HydrophobicContact CD1-CG 4.48Å; I594-L675 HydrophobicContact CG1-CD2 3.83Å; I599-L675 HydrophobicContact CG1-CD2 4.25Å; F602-L675 HydrophobicContact CB-CD1 3.58Å; F602-L675 HydrophobicContact CD1-CD1 3.63Å; F602-L675 HydrophobicContact CD2-CD1 3.77Å; F602-L675 HydrophobicContact CE1-CD1 4.23Å; F602-L675 HydrophobicContact CE2-CD1 4.35Å; F602-L675 HydrophobicContact CG-CD1 3.37Å; T671-L675 VanDerWaalsContact O-CG 3.23Å; T671-L675 WeakPolarHBondContact O-CG 3.15Å; T671-L675 PolarHBondContact O-N 2.85Å; L672-L675 PolarHBondContact O-N 2.94Å; L675-S677 PolarHBondContact O-N 2.88Å; L675-K678 PolarHBondContact O-N 2.94Å; L675-I679 WeakPolarHBondContact O-CB 3.48Å; L675-I679 WeakPolarHBondContact O-CD1 3.4Å; L675-I679 WeakPolarHBondContact O-CG1 3.44Å; L675-I679 PolarHBondContact O-N 3.26Å
676	A	94.2	Very high	92.2	Very high	3 Å²	3	44 Å²	44	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-42.4	-179.1	0	0	0	0	0	111.9	P538 E539 I542 L672 T680	P538-A676 HydrophobicContact CB-CB 4.25Å; E539-A676 HydrophobicContact CG-CB 4.1Å; I542-A676 HydrophobicContact CG1-CB 4.46Å; L672-A676 VanDerWaalsContact O-CB 3.23Å; L672-A676 WeakPolarHBondContact O-CB 3.23Å; L672-A676 PolarHBondContact O-N 2.89Å; A676-T680 WeakPolarHBondContact O-CB 3.39Å; A676-T680 PolarHBondContact O-N 3.38Å; A676-T680 PolarHBondContact O-OG1 2.96Å
677	S	92.7	Very high	92	Very high	80 Å²	80	41.5 Å²	41.5	56%	0.559	22%	0.218	S	C	*	.	H	α-helix	trans	-63	-47.5	175.9	174.9	0	0	0	0	112.1	R673 L675 T680 H681	R673-S677 WeakPolarHBondContact O-CB 3.4Å; R673-S677 PolarHBondContact O-N 2.85Å; L675-S677 PolarHBondContact O-N 2.88Å; S677-T680 PolarHBondContact O-N 2.9Å; S677-H681 WeakPolarHBondContact O-CB 3.33Å; S677-H681 PolarHBondContact O-N 3.36Å
678	K	92.7	Very high	91.8	Very high	51 Å²	51	42.4 Å²	42.4	22%	0.222	22%	0.219	C	C	.	.	H	α-helix	trans	-65.2	-43.4	179.7	-73.1	176.5	170.6	175.7	0	112.4	S593 I594 E674 L675 H681 N682	S593-K678 PolarHBondContact O-NZ 2.74Å; S593-K678 WeakPolarHBondContact OG-CD 3.19Å; S593-K678 WeakPolarHBondContact OG-CE 3.2Å; I594-K678 HydrophobicContact CB-CB 4.36Å; I594-K678 HydrophobicContact CB-CD 4.04Å; I594-K678 HydrophobicContact CD1-CB 4.16Å; I594-K678 HydrophobicContact CG2-CB 3.94Å; I594-K678 HydrophobicContact CG2-CD 4.34Å; E674-K678 HydrophobicContact CG-CD 4.18Å; E674-K678 WeakPolarHBondContact O-CB 3.4Å; E674-K678 WeakPolarHBondContact O-CG 3.48Å; E674-K678 PolarHBondContact O-N 3.42Å; E674-K678 WeakPolarHBondContact OE1-CE 3.23Å; E674-K678 IonicContact OE1-NZ 2.66Å; E674-K678 PolarHBondContact OE1-NZ 2.91Å; L675-K678 PolarHBondContact O-N 2.94Å; K678-H681 PolarHBondContact O-N 3.18Å; K678-N682 WeakPolarHBondContact O-CB 3.46Å; K678-N682 PolarHBondContact O-N 3.32Å
679	I	92.8	Very high	91.6	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-50.1	175.1	-67.3	165.3	0	0	0	110.1	F503 I542 M589 I594 I599 L675 H681 N682 L683	F503-I679 HydrophobicContact CZ-CG2 4.14Å; I542-I679 HydrophobicContact CD1-CD1 3.62Å; I542-I679 HydrophobicContact CD1-CG2 4.43Å; I542-I679 HydrophobicContact CG1-CD1 3.97Å; I542-I679 HydrophobicContact CG2-CD1 4.38Å; M589-I679 HydrophobicContact CB-CG2 4.32Å; M589-I679 HydrophobicContact CE-CD1 4.28Å; M589-I679 HydrophobicContact CE-CG2 3.86Å; M589-I679 HydrophobicContact CG-CG2 4.25Å; I594-I679 HydrophobicContact CD1-CD1 4.09Å; I594-I679 HydrophobicContact CD1-CG1 3.7Å; I599-I679 HydrophobicContact CD1-CD1 4.13Å; L675-I679 WeakPolarHBondContact O-CB 3.48Å; L675-I679 WeakPolarHBondContact O-CD1 3.4Å; L675-I679 WeakPolarHBondContact O-CG1 3.44Å; L675-I679 PolarHBondContact O-N 3.26Å; I679-H681 VanDerWaalsContact C-N 3.33Å; I679-H681 PolarHBondContact O-N 3.24Å; I679-N682 PolarHBondContact O-N 2.69Å; I679-L683 HydrophobicContact CG2-CD1 3.78Å; I679-L683 HydrophobicContact CG2-CG 4.38Å; I679-L683 WeakPolarHBondContact O-CB 3.34Å; I679-L683 WeakPolarHBondContact O-CG 3.38Å; I679-L683 PolarHBondContact O-N 3.18Å
680	T	92.4	Very high	91.2	Very high	22 Å²	22	51.6 Å²	51.6	14%	0.135	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-41.4	-179.7	-60.2	0	0	0	0	111.9	A676 S677 N684 L702	A676-T680 WeakPolarHBondContact O-CB 3.39Å; A676-T680 PolarHBondContact O-N 3.38Å; A676-T680 PolarHBondContact O-OG1 2.96Å; S677-T680 PolarHBondContact O-N 2.9Å; T680-N684 VanDerWaalsContact O-CB 3.31Å; T680-N684 WeakPolarHBondContact O-CB 3.39Å; T680-N684 PolarHBondContact O-N 3.19Å; T680-N684 PolarHBondContact O-ND2 2.79Å; T680-L702 HydrophobicContact CG2-CD2 3.93Å
681	H	91.2	Very high	90.7	Very high	133 Å²	133	55 Å²	55	62%	0.616	28%	0.284	S	S	*	.	H	α-helix	trans	-65.7	-44.8	175.7	-179.5	79.6	0	0	0	112.2	S677 K678 I679 N684 A685	S677-H681 WeakPolarHBondContact O-CB 3.33Å; S677-H681 PolarHBondContact O-N 3.36Å; K678-H681 PolarHBondContact O-N 3.18Å; I679-H681 VanDerWaalsContact C-N 3.33Å; I679-H681 PolarHBondContact O-N 3.24Å; H681-N684 WeakPolarHBondContact O-CB 3.32Å; H681-N684 PolarHBondContact O-N 2.83Å; H681-A685 WeakPolarHBondContact O-CB 3.33Å; H681-A685 PolarHBondContact O-N 3.29Å
682	N	91	Very high	90.1	Very high	34 Å²	34	54.2 Å²	54.2	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-68.1	-41.8	-177.4	-161	71	0	0	0	112.3	H588 T590 C591 K678 I679 A685 W686	H588-N682 PolarHBondContact O-ND2 3.44Å; T590-N682 PolarHBondContact O-ND2 3.25Å; C591-N682 WeakPolarHBondContact CB-OD1 3.28Å; K678-N682 WeakPolarHBondContact O-CB 3.46Å; K678-N682 PolarHBondContact O-N 3.32Å; I679-N682 PolarHBondContact O-N 2.69Å; N682-A685 PolarHBondContact O-N 3.28Å; N682-W686 WeakPolarHBondContact O-CB 3.48Å; N682-W686 PolarHBondContact O-N 2.92Å
683	L	90.9	Very high	89.3	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-61.5	-48.5	172.5	-68.8	171.5	0	0	0	110.9	V499 F503 L587 H588 M589 I679 A685 W686 Y687 L702	V499-L683 HydrophobicContact CG1-CD1 4.05Å; V499-L683 HydrophobicContact CG1-CD2 4.07Å; V499-L683 HydrophobicContact CG2-CD2 4.14Å; F503-L683 HydrophobicContact CD2-CD1 4.38Å; F503-L683 HydrophobicContact CE2-CD1 3.62Å; F503-L683 HydrophobicContact CZ-CD1 4.18Å; L587-L683 WeakPolarHBondContact O-CD2 3.35Å; H588-L683 HydrophobicContact CB-CD2 4.42Å; H588-L683 WeakPolarHBondContact O-CD2 3.42Å; M589-L683 HydrophobicContact CG-CD2 4.49Å; I679-L683 HydrophobicContact CG2-CD1 3.78Å; I679-L683 HydrophobicContact CG2-CG 4.38Å; I679-L683 WeakPolarHBondContact O-CB 3.34Å; I679-L683 WeakPolarHBondContact O-CG 3.38Å; I679-L683 PolarHBondContact O-N 3.18Å; L683-A685 VanDerWaalsContact C-N 3.31Å; L683-A685 PolarHBondContact O-N 3.41Å; L683-W686 PolarHBondContact O-N 2.89Å; L683-Y687 WeakPolarHBondContact O-CD2 3.46Å; L683-Y687 PolarHBondContact O-N 3.48Å; L683-L702 HydrophobicContact CB-CD1 3.58Å; L683-L702 HydrophobicContact CB-CD2 4.3Å; L683-L702 HydrophobicContact CD1-CD1 4.48Å; L683-L702 HydrophobicContact CD1-CD2 4.15Å
684	N	89.1	Confident	88.6	Confident	21 Å²	21	56.6 Å²	56.6	11%	0.112	30%	0.303	C	S	.	.	H	α-helix	trans	-53.4	-46.9	174	-97.2	-71.8	0	0	0	112.6	T680 H681 K688 L702 Y703	T680-N684 VanDerWaalsContact O-CB 3.31Å; T680-N684 WeakPolarHBondContact O-CB 3.39Å; T680-N684 PolarHBondContact O-N 3.19Å; T680-N684 PolarHBondContact O-ND2 2.79Å; H681-N684 WeakPolarHBondContact O-CB 3.32Å; H681-N684 PolarHBondContact O-N 2.83Å; N684-K688 WeakPolarHBondContact O-CB 3.44Å; N684-K688 VanDerWaalsContact O-CG 3.23Å; N684-K688 WeakPolarHBondContact O-CG 3.49Å; N684-K688 PolarHBondContact O-N 2.96Å; N684-K688 VanDerWaalsContact O-N 3.11Å; N684-L702 PolarHBondContact ND2-O 2.73Å; N684-Y703 VanDerWaalsContact OD1-CE1 3.26Å; N684-Y703 WeakPolarHBondContact OD1-CE1 3.46Å
685	A	88.5	Confident	88	Confident	33 Å²	33	53 Å²	53	27%	0.273	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-44.5	178.7	0	0	0	0	0	111	H681 N682 L683 K688 L689	H681-A685 WeakPolarHBondContact O-CB 3.33Å; H681-A685 PolarHBondContact O-N 3.29Å; N682-A685 PolarHBondContact O-N 3.28Å; L683-A685 VanDerWaalsContact C-N 3.31Å; L683-A685 PolarHBondContact O-N 3.41Å; A685-K688 PolarHBondContact O-N 2.58Å; A685-L689 VanDerWaalsContact O-CB 3.29Å; A685-L689 WeakPolarHBondContact O-CB 3.22Å; A685-L689 WeakPolarHBondContact O-CG 3.36Å; A685-L689 PolarHBondContact O-N 3.33Å
686	W	88.4	Confident	87	Confident	49 Å²	49	54.2 Å²	54.2	19%	0.186	30%	0.296	C	S	.	.	H	α-helix	trans	-65.2	-45	179.5	-176.7	89.1	0	0	0	113.2	L476 H588 N682 L683 K688 L689 S690 T692	L476-W686 HydrophobicContact CD1-CH2 3.77Å; L476-W686 HydrophobicContact CD1-CZ3 3.84Å; L476-W686 HydrophobicContact CG-CH2 4.32Å; H588-W686 HydrophobicContact CB-CB 4.22Å; H588-W686 HydrophobicContact CB-CG 4.02Å; H588-W686 AromaticContact CD2-CD1 3.42Å; H588-W686 VanDerWaalsContact CD2-CD1 3.42Å; H588-W686 AromaticContact CD2-CD2 3.63Å; H588-W686 AromaticContact CD2-CE2 3.3Å; H588-W686 AromaticContact CD2-CG 3.73Å; H588-W686 AromaticContact CD2-CZ2 3.9Å; H588-W686 AromaticContact CD2-NE1 3.13Å; H588-W686 PolarHBondContact CD2-NE1 3.37Å; H588-W686 AromaticContact CE1-CD1 3.88Å; H588-W686 AromaticContact CE1-NE1 3.61Å; H588-W686 AromaticContact CG-CD1 3.47Å; H588-W686 VanDerWaalsContact CG-CD1 3.47Å; H588-W686 AromaticContact CG-CG 3.78Å; H588-W686 AromaticContact CG-NE1 3.69Å; H588-W686 AromaticContact ND1-CD1 3.77Å; H588-W686 AromaticContact ND1-NE1 3.95Å; H588-W686 AromaticContact NE2-CD1 3.67Å; H588-W686 AromaticContact NE2-CE2 3.54Å; H588-W686 AromaticContact NE2-CZ2 3.98Å; H588-W686 AromaticContact NE2-NE1 3.06Å; H588-W686 PolarHBondContact NE2-NE1 3.42Å; N682-W686 WeakPolarHBondContact O-CB 3.48Å; N682-W686 PolarHBondContact O-N 2.92Å; L683-W686 PolarHBondContact O-N 2.89Å; W686-K688 VanDerWaalsContact C-N 3.34Å; W686-K688 PolarHBondContact O-N 2.94Å; W686-L689 PolarHBondContact O-N 2.89Å; W686-S690 VanDerWaalsContact O-CB 3.28Å; W686-S690 WeakPolarHBondContact O-CB 3.12Å; W686-S690 PolarHBondContact O-N 2.83Å; W686-S690 PolarHBondContact O-OG 2.72Å; W686-T692 HydrophobicContact CH2-CG2 4.18Å; W686-T692 WeakPolarHBondContact CH2-OG1 3.19Å; W686-T692 HydrophobicContact CZ3-CG2 4.13Å
687	Y	86.7	Confident	86.3	Confident	12 Å²	12	55.3 Å²	55.3	5%	0.047	30%	0.303	C	S	.	.	H	α-helix	trans	-63	-41.1	176.8	-84.7	-80.9	0	0	0	111.2	L476 L683 S690 N691 T692 M694 L698 L702	L476-Y687 HydrophobicContact CD1-CE1 4.37Å; L683-Y687 WeakPolarHBondContact O-CD2 3.46Å; L683-Y687 PolarHBondContact O-N 3.48Å; Y687-S690 PolarHBondContact O-OG 2.92Å; Y687-N691 PolarHBondContact O-N 2.98Å; Y687-N691 VanDerWaalsContact O-N 3.17Å; Y687-T692 HydrophobicContact CD1-CG2 4.13Å; Y687-T692 HydrophobicContact CE1-CG2 3.87Å; Y687-M694 HydrophobicContact CD1-CB 3.95Å; Y687-M694 HydrophobicContact CD2-SD 4.23Å; Y687-M694 HydrophobicContact CE1-CB 4.22Å; Y687-M694 HydrophobicContact CG-CB 4.39Å; Y687-M694 HydrophobicContact CG-SD 4.29Å; Y687-L698 HydrophobicContact CD2-CD2 4.44Å; Y687-L698 HydrophobicContact CE2-CD2 3.54Å; Y687-L698 WeakPolarHBondContact OH-CD2 3.38Å; Y687-L702 HydrophobicContact CD2-CD1 4.49Å
688	K	86	Confident	85.9	Confident	129 Å²	129	51.5 Å²	51.5	56%	0.561	28%	0.277	S	S	*	.	H	α-helix	trans	-66.7	-35.3	175.6	-71.7	174.5	-178.1	-177.5	0	113.6	N684 A685 W686	N684-K688 WeakPolarHBondContact O-CB 3.44Å; N684-K688 VanDerWaalsContact O-CG 3.23Å; N684-K688 WeakPolarHBondContact O-CG 3.49Å; N684-K688 PolarHBondContact O-N 2.96Å; N684-K688 VanDerWaalsContact O-N 3.11Å; A685-K688 PolarHBondContact O-N 2.58Å; W686-K688 VanDerWaalsContact C-N 3.34Å; W686-K688 PolarHBondContact O-N 2.94Å
689	L	89	Confident	85.4	Confident	153 Å²	153	52.6 Å²	52.6	80%	0.801	28%	0.281	S	S	*	.	H	α-helix	trans	-82.2	-35.2	-179.6	-73.6	169.3	0	0	0	113.5	A685 W686 N691	A685-L689 VanDerWaalsContact O-CB 3.29Å; A685-L689 WeakPolarHBondContact O-CB 3.22Å; A685-L689 WeakPolarHBondContact O-CG 3.36Å; A685-L689 PolarHBondContact O-N 3.33Å; W686-L689 PolarHBondContact O-N 2.89Å; L689-N691 VanDerWaalsContact C-N 3.34Å
690	S	85.4	Confident	84.8	Confident	48 Å²	48	55.6 Å²	55.6	34%	0.336	30%	0.295	S	S	.	.	H	α-helix	trans	-80.2	-16	178.3	62	0	0	0	0	113.4	W686 Y687 T692	W686-S690 VanDerWaalsContact O-CB 3.28Å; W686-S690 WeakPolarHBondContact O-CB 3.12Å; W686-S690 PolarHBondContact O-N 2.83Å; W686-S690 PolarHBondContact O-OG 2.72Å; Y687-S690 PolarHBondContact O-OG 2.92Å; S690-T692 WeakPolarHBondContact CB-OG1 3.36Å; S690-T692 PolarHBondContact O-N 3.26Å; S690-T692 WeakPolarHBondContact OG-CB 3.4Å; S690-T692 PolarHBondContact OG-N 3.42Å; S690-T692 PolarHBondContact OG-OG1 3.45Å
691	N	82.9	Confident	84.5	Confident	147 Å²	147	54.6 Å²	54.6	79%	0.786	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	29.7	-169.5	-162.4	73.5	0	0	0	112.5	Y687 L689	Y687-N691 PolarHBondContact O-N 2.98Å; Y687-N691 VanDerWaalsContact O-N 3.17Å; L689-N691 VanDerWaalsContact C-N 3.34Å
692	T	80.7	Confident	84.1	Confident	21 Å²	21	48.5 Å²	48.5	13%	0.129	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-75.6	133.7	174.8	-59	0	0	0	0	109.2	L476 W686 Y687 S690 M694	L476-T692 HydrophobicContact CD1-CG2 4.32Å; W686-T692 HydrophobicContact CH2-CG2 4.18Å; W686-T692 WeakPolarHBondContact CH2-OG1 3.19Å; W686-T692 HydrophobicContact CZ3-CG2 4.13Å; Y687-T692 HydrophobicContact CD1-CG2 4.13Å; Y687-T692 HydrophobicContact CE1-CG2 3.87Å; S690-T692 WeakPolarHBondContact CB-OG1 3.36Å; S690-T692 PolarHBondContact O-N 3.26Å; S690-T692 WeakPolarHBondContact OG-CB 3.4Å; S690-T692 PolarHBondContact OG-N 3.42Å; S690-T692 PolarHBondContact OG-OG1 3.45Å; T692-M694 PolarHBondContact O-N 2.85Å
693	P	79.5	Confident	83.2	Confident	106 Å²	106	50.8 Å²	50.8	69%	0.688	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-64.3	128.3	172.9	26.6	-34.1	0	0	0	110.5
694	M	79.8	Confident	81.6	Confident	22 Å²	22	53.1 Å²	53.1	11%	0.108	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-90.4	133.9	175.5	178.5	151.6	63.1	0	0	110.3	Y687 T692 L698 K699 L702 Y703	Y687-M694 HydrophobicContact CD1-CB 3.95Å; Y687-M694 HydrophobicContact CD2-SD 4.23Å; Y687-M694 HydrophobicContact CE1-CB 4.22Å; Y687-M694 HydrophobicContact CG-CB 4.39Å; Y687-M694 HydrophobicContact CG-SD 4.29Å; T692-M694 PolarHBondContact O-N 2.85Å; M694-L698 HydrophobicContact CG-CB 3.82Å; M694-L698 HydrophobicContact CG-CD2 3.97Å; M694-L698 HydrophobicContact CG-CG 3.9Å; M694-L698 HydrophobicContact SD-CB 4.22Å; M694-L698 HydrophobicContact SD-CD2 3.97Å; M694-L698 HydrophobicContact SD-CG 3.72Å; M694-K699 HydrophobicContact CB-CG 4.49Å; M694-K699 HydrophobicContact CE-CB 4.48Å; M694-K699 HydrophobicContact CE-CG 3.99Å; M694-K699 HydrophobicContact CG-CG 4.02Å; M694-L702 HydrophobicContact CE-CB 4.41Å; M694-L702 HydrophobicContact SD-CB 4.29Å; M694-L702 HydrophobicContact SD-CD1 3.65Å; M694-L702 HydrophobicContact SD-CG 4.22Å; M694-Y703 HydrophobicContact CE-CD2 4.47Å; M694-Y703 HydrophobicContact CE-CE1 3.92Å; M694-Y703 HydrophobicContact CE-CE2 3.67Å; M694-Y703 VanDerWaalsContact CE-OH 3.22Å; M694-Y703 WeakPolarHBondContact CE-OH 3.24Å
695	S	79.5	Confident	79.6	Confident	29 Å²	29	53.9 Å²	53.9	20%	0.203	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-62.8	146.7	176.6	71.8	0	0	0	0	111.2	D500 C697 L698 K699	D500-S695 VanDerWaalsContact OD1-CB 3.24Å; D500-S695 WeakPolarHBondContact OD1-CB 3.33Å; D500-S695 PolarHBondContact OD1-OG 3.31Å; S695-C697 PolarHBondContact O-N 3.27Å; S695-L698 PolarHBondContact O-N 3.19Å; S695-L698 VanDerWaalsContact OG-CB 3.32Å; S695-L698 WeakPolarHBondContact OG-CB 3.43Å; S695-L698 PolarHBondContact OG-N 3.25Å; S695-K699 PolarHBondContact O-N 3.32Å
696	N	73.4	Confident	77	Confident	43 Å²	43	57.1 Å²	57.1	23%	0.23	31%	0.311	C	S	.	.	H	α-helix	trans	-60.1	-33.2	-179	-69	-25.2	0	0	0	112.1	D161 G163 K699	D161-N696 VanDerWaalsContact CG-ND2 3.33Å; D161-N696 PolarHBondContact OD1-ND2 2.86Å; D161-N696 PolarHBondContact OD2-ND2 2.88Å; G163-N696 WeakPolarHBondContact CA-ND2 3.17Å; N696-K699 PolarHBondContact O-N 3.36Å; N696-K699 WeakPolarHBondContact OD1-CE 3.34Å; N696-K699 PolarHBondContact OD1-NZ 2.9Å
697	C	79.8	Confident	74.4	Confident	27 Å²	27	60.4 Å²	60.4	18%	0.182	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-47.2	170.1	-174.1	0	0	0	0	112.1	F503 C504 P505 S695 K699 E700 F701	F503-C697 PolarHBondContact O-SG 2.79Å; C504-C697 VanDerWaalsContact C-SG 3.6Å; P505-C697 HydrophobicContact CG-CB 4.4Å; S695-C697 PolarHBondContact O-N 3.27Å; C697-K699 VanDerWaalsContact C-N 3.35Å; C697-K699 PolarHBondContact O-N 2.85Å; C697-E700 WeakPolarHBondContact O-CB 3.21Å; C697-E700 PolarHBondContact O-N 3.23Å; C697-F701 VanDerWaalsContact O-CD2 3.3Å; C697-F701 WeakPolarHBondContact O-CD2 3.21Å
698	L	84	Confident	71.7	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-69.8	-29	-178.5	-174.7	61.8	0	0	0	112.9	V499 F503 Y687 M694 S695 E700 F701 L702	V499-L698 HydrophobicContact CG1-CD1 3.85Å; V499-L698 HydrophobicContact CG1-CD2 3.7Å; V499-L698 HydrophobicContact CG1-CG 4.49Å; F503-L698 HydrophobicContact CB-CD1 3.61Å; F503-L698 HydrophobicContact CD2-CD1 3.82Å; F503-L698 HydrophobicContact CG-CD1 3.9Å; Y687-L698 HydrophobicContact CD2-CD2 4.44Å; Y687-L698 HydrophobicContact CE2-CD2 3.54Å; Y687-L698 WeakPolarHBondContact OH-CD2 3.38Å; M694-L698 HydrophobicContact CG-CB 3.82Å; M694-L698 HydrophobicContact CG-CD2 3.97Å; M694-L698 HydrophobicContact CG-CG 3.9Å; M694-L698 HydrophobicContact SD-CB 4.22Å; M694-L698 HydrophobicContact SD-CD2 3.97Å; M694-L698 HydrophobicContact SD-CG 3.72Å; S695-L698 PolarHBondContact O-N 3.19Å; S695-L698 VanDerWaalsContact OG-CB 3.32Å; S695-L698 WeakPolarHBondContact OG-CB 3.43Å; S695-L698 PolarHBondContact OG-N 3.25Å; L698-E700 VanDerWaalsContact C-N 3.28Å; L698-E700 PolarHBondContact O-N 2.81Å; L698-F701 PolarHBondContact O-N 3.33Å; L698-L702 HydrophobicContact CD1-CD1 4.09Å; L698-L702 HydrophobicContact CD1-CD2 4.27Å; L698-L702 HydrophobicContact CD1-CG 3.89Å; L698-L702 HydrophobicContact CD2-CD1 4.41Å; L698-L702 HydrophobicContact CG-CD1 4Å; L698-L702 HydrophobicContact CG-CG 4.07Å; L698-L702 WeakPolarHBondContact O-CG 3.37Å; L698-L702 PolarHBondContact O-N 2.78Å
699	K	83	Confident	69.1	Low	73 Å²	73	64 Å²	64	32%	0.317	36%	0.357	S	S	.	.	H	α-helix	trans	-53.2	-45.6	172	-67	179.2	-174.7	169.1	0	111.5	M694 S695 N696 C697 F701 L702 Y703	M694-K699 HydrophobicContact CB-CG 4.49Å; M694-K699 HydrophobicContact CE-CB 4.48Å; M694-K699 HydrophobicContact CE-CG 3.99Å; M694-K699 HydrophobicContact CG-CG 4.02Å; S695-K699 PolarHBondContact O-N 3.32Å; N696-K699 PolarHBondContact O-N 3.36Å; N696-K699 WeakPolarHBondContact OD1-CE 3.34Å; N696-K699 PolarHBondContact OD1-NZ 2.9Å; C697-K699 VanDerWaalsContact C-N 3.35Å; C697-K699 PolarHBondContact O-N 2.85Å; K699-F701 VanDerWaalsContact C-N 3.34Å; K699-F701 PolarHBondContact O-N 3.17Å; K699-L702 PolarHBondContact O-N 3.3Å; K699-L702 VanDerWaalsContact O-N 3.08Å; K699-Y703 HydrophobicContact CB-CD2 3.92Å; K699-Y703 HydrophobicContact CB-CE2 4.03Å; K699-Y703 HydrophobicContact CD-CE2 4.48Å; K699-Y703 HydrophobicContact CG-CD2 4.38Å; K699-Y703 HydrophobicContact CG-CE2 3.97Å; K699-Y703 WeakPolarHBondContact O-CB 3.33Å; K699-Y703 PolarHBondContact O-N 3.2Å
700	E	80.7	Confident	66.2	Low	64 Å²	64	65 Å²	65	30%	0.299	36%	0.359	S	S	.	.	H	α-helix	trans	-63.5	-34.3	-179.3	-60.9	-58.9	126.8	0	0	114.1	L166 C697 L698	L166-E700 HydrophobicContact CD1-CB 4.47Å; L166-E700 VanDerWaalsContact CD1-CD 3.45Å; L166-E700 HydrophobicContact CD1-CG 3.41Å; L166-E700 VanDerWaalsContact CD1-CG 3.41Å; C697-E700 WeakPolarHBondContact O-CB 3.21Å; C697-E700 PolarHBondContact O-N 3.23Å; L698-E700 VanDerWaalsContact C-N 3.28Å; L698-E700 PolarHBondContact O-N 2.81Å
701	F	85.2	Confident	63.7	Low	1 Å²	1	69.7 Å²	69.7	0%	0.004	38%	0.38	C	S	.	.	H	α-helix	trans	-75.1	-32	173.7	-72.8	-90.6	0	0	0	112	F503 Q507 L508 L537 P538 A541 C697 L698 K699	F503-F701 HydrophobicContact CB-CB 4.21Å; F503-F701 HydrophobicContact CB-CD1 4.14Å; F503-F701 HydrophobicContact CB-CD2 3.72Å; F503-F701 HydrophobicContact CB-CE1 4.48Å; F503-F701 HydrophobicContact CB-CE2 4.11Å; F503-F701 HydrophobicContact CB-CG 3.76Å; F503-F701 HydrophobicContact CB-CZ 4.48Å; F503-F701 HydrophobicContact CD1-CB 3.98Å; F503-F701 AromaticContact CD1-CD1 3.52Å; F503-F701 HydrophobicContact CD1-CD1 3.52Å; F503-F701 HydrophobicContact CD1-CE1 4.14Å; F503-F701 AromaticContact CD1-CG 3.78Å; F503-F701 HydrophobicContact CD1-CG 3.78Å; F503-F701 HydrophobicContact CE1-CD1 4.41Å; F503-F701 HydrophobicContact CG-CB 4.31Å; F503-F701 HydrophobicContact CG-CD1 4.28Å; F503-F701 HydrophobicContact CG-CG 4.16Å; F503-F701 VanDerWaalsContact O-CE2 3.26Å; F503-F701 WeakPolarHBondContact O-CE2 3.39Å; Q507-F701 HydrophobicContact CB-CE1 4.24Å; Q507-F701 HydrophobicContact CB-CZ 3.82Å; Q507-F701 HydrophobicContact CG-CE1 3.71Å; Q507-F701 HydrophobicContact CG-CZ 3.81Å; L508-F701 HydrophobicContact CD1-CE2 4.45Å; L508-F701 HydrophobicContact CD2-CD2 4.32Å; L508-F701 HydrophobicContact CD2-CE1 4.48Å; L508-F701 HydrophobicContact CD2-CE2 3.51Å; L508-F701 HydrophobicContact CD2-CZ 3.59Å; L508-F701 HydrophobicContact CG-CE2 3.79Å; L508-F701 HydrophobicContact CG-CZ 3.93Å; L537-F701 HydrophobicContact CB-CD1 3.56Å; L537-F701 HydrophobicContact CB-CE1 3.62Å; L537-F701 HydrophobicContact CB-CG 4.44Å; L537-F701 HydrophobicContact CD1-CD1 4.41Å; L537-F701 HydrophobicContact CD1-CE1 4.33Å; L537-F701 HydrophobicContact CD1-CZ 4.5Å; L537-F701 HydrophobicContact CD2-CE1 4Å; L537-F701 HydrophobicContact CD2-CZ 4.25Å; L537-F701 HydrophobicContact CG-CD1 4.45Å; L537-F701 HydrophobicContact CG-CE1 4.2Å; P538-F701 WeakPolarHBondContact CG-O 3.37Å; A541-F701 HydrophobicContact CB-CE1 4.24Å; C697-F701 VanDerWaalsContact O-CD2 3.3Å; C697-F701 WeakPolarHBondContact O-CD2 3.21Å; L698-F701 PolarHBondContact O-N 3.33Å; K699-F701 VanDerWaalsContact C-N 3.34Å; K699-F701 PolarHBondContact O-N 3.17Å
702	L	83.3	Confident	61.4	Low	5 Å²	5	68.5 Å²	68.5	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-97.4	-18.7	-170	-62.1	-160	0	0	0	114.6	T680 L683 N684 Y687 M694 L698 K699	T680-L702 HydrophobicContact CG2-CD2 3.93Å; L683-L702 HydrophobicContact CB-CD1 3.58Å; L683-L702 HydrophobicContact CB-CD2 4.3Å; L683-L702 HydrophobicContact CD1-CD1 4.48Å; L683-L702 HydrophobicContact CD1-CD2 4.15Å; N684-L702 PolarHBondContact ND2-O 2.73Å; Y687-L702 HydrophobicContact CD2-CD1 4.49Å; M694-L702 HydrophobicContact CE-CB 4.41Å; M694-L702 HydrophobicContact SD-CB 4.29Å; M694-L702 HydrophobicContact SD-CD1 3.65Å; M694-L702 HydrophobicContact SD-CG 4.22Å; L698-L702 HydrophobicContact CD1-CD1 4.09Å; L698-L702 HydrophobicContact CD1-CD2 4.27Å; L698-L702 HydrophobicContact CD1-CG 3.89Å; L698-L702 HydrophobicContact CD2-CD1 4.41Å; L698-L702 HydrophobicContact CG-CD1 4Å; L698-L702 HydrophobicContact CG-CG 4.07Å; L698-L702 WeakPolarHBondContact O-CG 3.37Å; L698-L702 PolarHBondContact O-N 2.78Å; K699-L702 PolarHBondContact O-N 3.3Å; K699-L702 VanDerWaalsContact O-N 3.08Å
703	Y	71.2	Confident	58.8	Low	83 Å²	83	72.2 Å²	72.2	33%	0.325	40%	0.4	S	S	.	.			trans	-107.9	72.4	-178.3	-61.9	-36.3	0	0	0	113.8	N684 M694 K699 F707	N684-Y703 VanDerWaalsContact OD1-CE1 3.26Å; N684-Y703 WeakPolarHBondContact OD1-CE1 3.46Å; M694-Y703 HydrophobicContact CE-CD2 4.47Å; M694-Y703 HydrophobicContact CE-CE1 3.92Å; M694-Y703 HydrophobicContact CE-CE2 3.67Å; M694-Y703 VanDerWaalsContact CE-OH 3.22Å; M694-Y703 WeakPolarHBondContact CE-OH 3.24Å; K699-Y703 HydrophobicContact CB-CD2 3.92Å; K699-Y703 HydrophobicContact CB-CE2 4.03Å; K699-Y703 HydrophobicContact CD-CE2 4.48Å; K699-Y703 HydrophobicContact CG-CD2 4.38Å; K699-Y703 HydrophobicContact CG-CE2 3.97Å; K699-Y703 WeakPolarHBondContact O-CB 3.33Å; K699-Y703 PolarHBondContact O-N 3.2Å; Y703-F707 AromaticContact CD1-CE2 3.96Å; Y703-F707 HydrophobicContact CD1-CE2 3.96Å; Y703-F707 HydrophobicContact CE1-CE2 4.21Å; Y703-F707 HydrophobicContact CG-CE2 4.27Å
704	S	58.3	Low	56.1	Low	50 Å²	50	79.2 Å²	79.2	35%	0.35	42%	0.42	S	S	.	.			trans	-62.7	154.4	156.5	-80.8	0	0	0	0	111.7	D535 S706	D535-S704 VanDerWaalsContact CG-OG 3.25Å; D535-S704 WeakPolarHBondContact OD1-CB 3.35Å; D535-S704 PolarHBondContact OD1-OG 3.19Å; S704-S706 PolarHBondContact O-N 2.97Å
705	S	46	Very low	54.9	Low	37 Å²	37	82.1 Å²	82.1	26%	0.259	44%	0.435	S	S	.	.	S	Bend	trans	-60.4	87.4	-170.4	29.3	0	0	0	0	114	R534 S630	R534-S705 PolarHBondContact NH2-OG 3.39Å; S630-S705 WeakPolarHBondContact OG-CB 3.47Å; S630-S705 PolarHBondContact OG-OG 2.84Å
706	S	34.6	Very low	53.7	Low	100 Å²	100	84.8 Å²	84.8	70%	0.699	45%	0.448	S	S	*	.			trans	-136.6	8.7	170.8	-70.8	0	0	0	0	113.7	S704 N708	S704-S706 PolarHBondContact O-N 2.97Å; S706-N708 PolarHBondContact O-N 3.04Å
707	F	34.1	Very low	52.6	Low	119 Å²	119	87.2 Å²	87.2	52%	0.522	46%	0.46	S	S	.	.			trans	-80.4	106	169.6	-82.1	-86.4	0	0	0	110.4	Y703 S709	Y703-F707 AromaticContact CD1-CE2 3.96Å; Y703-F707 HydrophobicContact CD1-CE2 3.96Å; Y703-F707 HydrophobicContact CE1-CE2 4.21Å; Y703-F707 HydrophobicContact CG-CE2 4.27Å; F707-S709 PolarHBondContact O-N 3.46Å; F707-S709 VanDerWaalsContact O-N 3.1Å
708	N	29.8	Very low	51	Low	178 Å²	178	90.7 Å²	90.7	95%	0.952	48%	0.476	S	S	*	.			trans	-81.9	44.8	165.9	-73.8	-95.9	0	0	0	110.3	S706	S706-N708 PolarHBondContact O-N 3.04Å
709	S	31.7	Very low	48.9	Very low	39 Å²	39	96.4 Å²	96.4	27%	0.273	51%	0.506	S	S	.	.			trans	-127.4	123.2	179.3	179.1	0	0	0	0	107.1	F707 D711 D712	F707-S709 PolarHBondContact O-N 3.46Å; F707-S709 VanDerWaalsContact O-N 3.1Å; S709-D711 VanDerWaalsContact C-N 3.29Å; S709-D712 WeakPolarHBondContact CB-OD2 3.46Å; S709-D712 PolarHBondContact OG-OD2 2.81Å
710	M	28.5	Very low	46.6	Very low	174 Å²	174	97.9 Å²	97.9	86%	0.857	52%	0.518	S	S	*	.	S	Bend	trans	-88.5	-6.3	177.7	-150.9	161.1	-167.1	0	0	111.6
711	D	31.8	Very low	44.2	Very low	145 Å²	145	100.4 Å²	100.4	78%	0.775	53%	0.534	S	S	*	.	S	Bend	trans	-93.7	-15.5	-169	-53.8	-50	0	0	0	112.9	S709	S709-D711 VanDerWaalsContact C-N 3.29Å
712	D	34.5	Very low	41	Very low	122 Å²	122	108 Å²	108	65%	0.652	58%	0.575	S	S	*	*	S	Bend	trans	-99.3	23.1	-178.8	-57.9	-75.5	0	0	0	113.1	S709	S709-D712 WeakPolarHBondContact CB-OD2 3.46Å; S709-D712 PolarHBondContact OG-OD2 2.81Å
713	C	26.1	Very low	37.5	Very low	99 Å²	99	116.6 Å²	116.6	67%	0.669	62%	0.62	S	S	*	*			trans	-128.9	55.3	-169.5	-158	0	0	0	0	112.1
714	F	23.8	Very low	34.5	Very low	253 Å²	253	119.6 Å²	119.6	100%	1.11	65%	0.647	S	S	*	*			trans	-146.9	0	-178.1	-103.4	-67.2	0	0	0	111.9

Retrieved 714 of 714 residues in 203 ms (Link to these results)

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