A0A3Q0KRA3_SCHMA Loading...

Rho-GAP domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRA3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 735 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	32.6	Very low	236 Å²	236	158.6 Å²	158.6	100%	1.163	83%	0.832	S	S	*	*				0	127.9	0	-137.7	167.4	179.9	0	0	107.1
2	T	34	Very low	32.7	Very low	122 Å²	122	160.3 Å²	160.3	75%	0.748	83%	0.832	S	S	*	*			trans	57.7	101.2	169.6	-26.5	0	0	0	0	118.4	Y4	T2-Y4 HydrophobicContact CG2-CD2 4.23Å; T2-Y4 HydrophobicContact CG2-CE2 4.47Å
3	L	28.2	Very low	32.8	Very low	168 Å²	168	159.1 Å²	159.1	88%	0.88	84%	0.836	S	S	*	*			trans	-72.4	149.1	157	-68.9	158.2	0	0	0	109.7
4	Y	34.7	Very low	32.9	Very low	224 Å²	224	153.6 Å²	153.6	88%	0.878	84%	0.838	S	S	*	*			trans	-146.4	137.7	147.6	-105.9	-79.4	0	0	0	110.1	T2	T2-Y4 HydrophobicContact CG2-CD2 4.23Å; T2-Y4 HydrophobicContact CG2-CE2 4.47Å
5	S	30.3	Very low	32.9	Very low	101 Å²	101	149.8 Å²	149.8	71%	0.706	84%	0.835	S	S	*	*			trans	-139.2	128.1	179.7	174.4	0	0	0	0	107.3
6	E	34	Very low	33	Very low	169 Å²	169	151.8 Å²	151.8	79%	0.79	84%	0.838	S	S	*	*			trans	-167.2	116.8	155.4	-106.7	158.4	-163	0	0	107.2
7	F	29.1	Very low	33.3	Very low	187 Å²	187	149.3 Å²	149.3	82%	0.82	83%	0.834	S	S	*	*				67.5	130	94.4	-86.9	-83.2	0	0	0	114.2
8	V	35.4	Very low	33.4	Very low	121 Å²	121	151.8 Å²	151.8	73%	0.733	84%	0.835	S	S	*	*				176.2	121.9	121.6	150.6	0	0	0	0	112.1
9	Q	33	Very low	33.6	Very low	183 Å²	183	153.5 Å²	153.5	86%	0.855	84%	0.836	S	S	*	*			trans	59.3	128.2	149.5	-68.4	165.3	-11.9	0	0	123.7
10	S	27.8	Very low	33.6	Very low	114 Å²	114	151.3 Å²	151.3	80%	0.797	83%	0.833	S	S	*	*			trans	-131.4	149.6	148.9	54.7	0	0	0	0	108.5
11	P	38.7	Very low	33.7	Very low	120 Å²	120	150.1 Å²	150.1	78%	0.779	83%	0.832	S	S	*	*			trans	-123.5	125.4	168.8	34.2	-20.9	0	0	0	114.5
12	Q	33.8	Very low	33.8	Very low	178 Å²	178	148.8 Å²	148.8	83%	0.832	82%	0.82	S	S	*	*			trans	26.2	132.1	141.1	-54.4	-178.6	-0.8	0	0	121.2
13	T	34.6	Very low	33.9	Very low	145 Å²	145	150.7 Å²	150.7	89%	0.89	82%	0.824	S	S	*	*				176.2	155.1	98.4	32.4	0	0	0	0	111.5
14	G	34	Very low	34.2	Very low	83 Å²	83	151.1 Å²	151.1	86%	0.856	82%	0.819	S	S	*	*			trans	122.5	86.9	170.3	0	0	0	0	0	115.1
15	A	32.7	Very low	34.1	Very low	96 Å²	96	149.2 Å²	149.2	79%	0.793	82%	0.816	S	S	*	*			trans	-93.7	156.1	175.9	0	0	0	0	0	112.2
16	M	34.2	Very low	34.4	Very low	181 Å²	181	152.8 Å²	152.8	89%	0.892	82%	0.821	S	S	*	*			trans	-178.4	141.6	131.6	-100.5	-68.7	-85.3	0	0	114.5
17	S	37.6	Very low	34.4	Very low	110 Å²	110	152.5 Å²	152.5	77%	0.769	82%	0.82	S	S	*	*			trans	70.8	141.1	160	-151.8	0	0	0	0	121.4
18	K	35	Very low	34.5	Very low	195 Å²	195	154.8 Å²	154.8	85%	0.848	82%	0.823	S	S	*	*			trans	-124.9	144.6	-178.9	-61.2	169.8	177.3	173.5	0	109.4
19	Q	38.4	Very low	34.5	Very low	184 Å²	184	157.2 Å²	157.2	86%	0.86	83%	0.827	S	S	*	*			trans	-159.6	121.3	147.7	-114.6	165	11.9	0	0	114.3
20	S	33.2	Very low	34.7	Very low	109 Å²	109	157.2 Å²	157.2	76%	0.762	83%	0.826	S	S	*	*			trans	43.2	122.4	151.9	58.3	0	0	0	0	123.3
21	P	35.9	Very low	34.8	Very low	126 Å²	126	160.8 Å²	160.8	82%	0.818	83%	0.831	S	S	*	*			trans	-108.7	147.6	155.4	37.3	-28.7	0	0	0	113.4
22	K	35.8	Very low	34.5	Very low	208 Å²	208	159.8 Å²	159.8	90%	0.904	83%	0.827	S	S	*	*			trans	-167.8	148.1	162.4	-111	169.3	-173.3	-179.6	0	112.4
23	L	35.3	Very low	34.5	Very low	162 Å²	162	159.6 Å²	159.6	85%	0.848	83%	0.825	S	S	*	*			trans	101.4	93.3	179	-63.2	165.7	0	0	0	114.7
24	F	34.8	Very low	34.3	Very low	177 Å²	177	159 Å²	159	78%	0.776	82%	0.815	S	S	*	*				71.8	101.3	87.3	-92.7	-101.2	0	0	0	113.3
25	K	33.5	Very low	34.2	Very low	184 Å²	184	161.4 Å²	161.4	80%	0.8	81%	0.813	S	S	*	*				71.7	88.2	78.2	-88.8	-167.2	172.7	-177.3	0	115.1
26	Q	35.3	Very low	33.8	Very low	177 Å²	177	165.6 Å²	165.6	83%	0.827	81%	0.814	S	S	*	*			trans	165.3	147.9	146.6	-101.3	171.2	-15.6	0	0	107.3
27	Q	33.2	Very low	33.8	Very low	162 Å²	162	165.2 Å²	165.2	76%	0.757	82%	0.816	S	S	*	*			cis	-155.3	137.9	-6.1	-163.1	160.1	-13.2	0	0	107.6
28	R	31.4	Very low	33.4	Very low	235 Å²	235	168.6 Å²	168.6	89%	0.887	82%	0.819	S	S	*	*			trans	-99.7	163.4	166.4	-102.6	-172.4	175.9	-174.5	-0.4	108.7
29	Q	36.1	Very low	33.4	Very low	173 Å²	173	164.7 Å²	164.7	81%	0.808	82%	0.816	S	S	*	*			trans	76	133.2	-176.5	-44.2	171.3	-5.8	0	0	111.4
30	Q	36.7	Very low	33.1	Very low	182 Å²	182	164.7 Å²	164.7	85%	0.85	81%	0.813	S	S	*	*			cis	-150	154.8	36.2	-70.6	170.9	0.5	0	0	111.9
31	Q	30.5	Very low	33.2	Very low	190 Å²	190	166.8 Å²	166.8	89%	0.888	81%	0.811	S	S	*	*			trans	-88.3	142.4	161.7	-69	171	-36.7	0	0	109.1
32	S	32	Very low	33.2	Very low	99 Å²	99	167.4 Å²	167.4	69%	0.692	80%	0.802	S	S	*	*				153.7	134.2	128.3	66.1	0	0	0	0	113
33	H	33.8	Very low	33.2	Very low	174 Å²	174	165.4 Å²	165.4	81%	0.806	79%	0.794	S	S	*	*			trans	59.5	153.2	143.6	-66.9	-48.1	0	0	0	119.1
34	I	31.1	Very low	33.3	Very low	131 Å²	131	162.9 Å²	162.9	67%	0.672	78%	0.781	S	S	*	*			cis	-161.8	163	-11.7	-120.9	165.2	0	0	0	109.7
35	T	31.2	Very low	33.3	Very low	134 Å²	134	162.6 Å²	162.6	82%	0.822	78%	0.78	S	S	*	*			trans	68.3	136.7	165	33.2	0	0	0	0	123.2
36	F	25.8	Very low	33.5	Very low	184 Å²	184	160.5 Å²	160.5	81%	0.807	78%	0.776	S	S	*	*			trans	-75.4	159.4	158.7	-89.4	-114.2	0	0	0	112.2
37	N	33.7	Very low	33.6	Very low	173 Å²	173	159 Å²	159	93%	0.925	77%	0.774	S	S	*	*			trans	-149.7	149.4	142.8	-109.6	-27.9	0	0	0	112.3
38	H	29.2	Very low	33.7	Very low	182 Å²	182	158 Å²	158	84%	0.843	77%	0.774	S	S	*	*			trans	-99.1	139.5	-174.7	-94.2	-48.5	0	0	0	113.2
39	S	33.8	Very low	33.9	Very low	112 Å²	112	153.1 Å²	153.1	78%	0.783	77%	0.77	S	S	*	*			trans	-165.3	117.4	144.8	-165.7	0	0	0	0	107.1
40	K	32.1	Very low	33.8	Very low	185 Å²	185	152.8 Å²	152.8	80%	0.804	77%	0.774	S	S	*	*			cis	78.6	137.8	49.7	-114.9	-173.3	-173.3	-177.4	0	114.9
41	H	36.1	Very low	33.4	Very low	153 Å²	153	150.2 Å²	150.2	71%	0.708	78%	0.776	S	S	*	*			trans	76.1	138.8	-173	-57.9	-89.4	0	0	0	115.1
42	H	35.8	Very low	33.6	Very low	138 Å²	138	144.3 Å²	144.3	64%	0.639	77%	0.766	S	S	*	*			cis	-154.4	150.1	-0.5	-125.8	-50.9	0	0	0	111.6
43	K	35.6	Very low	33.7	Very low	167 Å²	167	149.9 Å²	149.9	73%	0.726	78%	0.778	S	S	*	*			trans	31.8	140.6	142.3	-81.2	-178.8	177.4	-179.6	0	120.5
44	D	37.3	Very low	33.6	Very low	109 Å²	109	149.2 Å²	149.2	58%	0.583	78%	0.78	S	S	*	*			cis	-163.7	153.3	32.9	-105	-30.5	0	0	0	112.5
45	K	36.4	Very low	33.4	Very low	171 Å²	171	148 Å²	148	74%	0.743	78%	0.783	S	S	*	*			trans	55.6	146	146.3	-62.1	170.7	-173.9	175.4	0	120.2
46	L	35.9	Very low	33.4	Very low	140 Å²	140	153.7 Å²	153.7	73%	0.733	79%	0.79	S	S	*	*			cis	-161.9	-178.5	-3.6	-121.8	161.4	0	0	0	109
47	D	37.4	Very low	33.7	Very low	146 Å²	146	149 Å²	149	78%	0.781	79%	0.785	S	S	*	*			trans	91.2	97.6	166	-62.4	-0.2	0	0	0	120.6
48	D	35.7	Very low	33.4	Very low	140 Å²	140	147.7 Å²	147.7	75%	0.749	78%	0.783	S	S	*	*			trans	-48.5	141.9	171.9	-56.6	-63.6	0	0	0	118.4
49	T	36.9	Very low	33.5	Very low	132 Å²	132	144.6 Å²	144.6	81%	0.81	78%	0.782	S	S	*	*				175.1	135.4	99.3	31.5	0	0	0	0	114.3
50	D	32.8	Very low	33.3	Very low	166 Å²	166	146.6 Å²	146.6	89%	0.888	78%	0.783	S	S	*	*			trans	48.7	90.6	159	-70.8	-1.2	0	0	0	121.5
51	S	29.3	Very low	33.2	Very low	129 Å²	129	147.2 Å²	147.2	90%	0.902	79%	0.788	S	S	*	*			trans	-121.7	135.1	146.9	70.2	0	0	0	0	110.5
52	G	33.9	Very low	32.9	Very low	66 Å²	66	149.1 Å²	149.1	68%	0.68	79%	0.794	S	S	*	*			trans	-147.6	123.8	-173.9	0	0	0	0	0	115
53	F	33.9	Very low	32.8	Very low	215 Å²	215	151 Å²	151	94%	0.943	81%	0.809	S	S	*	*			trans	82.9	80	162.8	-63.2	-75.9	0	0	0	120.8
54	L	31	Very low	32.6	Very low	160 Å²	160	147.6 Å²	147.6	84%	0.838	81%	0.805	S	S	*	*			trans	-27.3	136.3	148.7	-71.8	151.6	0	0	0	119.9
55	S	28.4	Very low	32.5	Very low	106 Å²	106	150.4 Å²	150.4	74%	0.741	82%	0.82	S	S	*	*				39	114.4	118.7	-50.4	0	0	0	0	123.6
56	R	30.3	Very low	32.2	Very low	253 Å²	253	149.8 Å²	149.8	96%	0.955	83%	0.825	S	S	*	*			trans	-176.7	141.6	137.4	-108.4	178.6	163.3	154.2	-5.7	108
57	A	31.7	Very low	32.1	Very low	86 Å²	86	148.2 Å²	148.2	71%	0.711	83%	0.826	S	S	*	*			cis	-151.9	152.5	-6	0	0	0	0	0	109.5
58	T	28.2	Very low	31.9	Very low	145 Å²	145	147.1 Å²	147.1	89%	0.89	83%	0.825	S	S	*	*			trans	-129.6	121.9	162.6	48.1	0	0	0	0	107.9
59	S	30.6	Very low	31.9	Very low	117 Å²	117	147.8 Å²	147.8	82%	0.818	82%	0.823	S	S	*	*			trans	-130.6	118.5	170.5	46.3	0	0	0	0	108.5
60	I	30	Very low	31.6	Very low	155 Å²	155	147.4 Å²	147.4	80%	0.795	82%	0.816	S	S	*	*			trans	-94.6	126.8	174.8	-65.2	166	0	0	0	106.4
61	E	30.5	Very low	31.4	Very low	198 Å²	198	145.3 Å²	145.3	93%	0.925	81%	0.809	S	S	*	*			trans	-110.8	120.8	156.8	-80.6	-171.7	146.5	0	0	109.3
62	K	30	Very low	31.6	Very low	192 Å²	192	146.8 Å²	146.8	84%	0.835	81%	0.805	S	S	*	*			trans	-131.9	106.1	162	-89.3	-172.5	172.4	-175.8	0	106.2
63	L	33.7	Very low	31.3	Very low	179 Å²	179	148.3 Å²	148.3	94%	0.937	81%	0.805	S	S	*	*			trans	-128.2	137	157.4	-82.5	171.7	0	0	0	108.7
64	S	30.5	Very low	31.2	Very low	94 Å²	94	143.8 Å²	143.8	66%	0.657	80%	0.795	S	S	*	*			trans	-78.6	155.1	-174.5	49.4	0	0	0	0	112.3
65	N	35	Very low	31.1	Very low	168 Å²	168	142.2 Å²	142.2	90%	0.898	79%	0.792	S	S	*	*			trans	-151.4	144.4	132.2	-94.7	-26.9	0	0	0	110.4
66	N	31.1	Very low	31.3	Very low	158 Å²	158	146.2 Å²	146.2	85%	0.845	80%	0.797	S	S	*	*			trans	-88.5	138.6	-176.7	-63	-39	0	0	0	111
67	S	33.7	Very low	31.2	Very low	108 Å²	108	139.2 Å²	139.2	76%	0.755	79%	0.786	S	S	*	*				-172.7	116.5	121.5	60.4	0	0	0	0	113
68	V	32.9	Very low	31.3	Very low	123 Å²	123	142.9 Å²	142.9	75%	0.745	79%	0.792	S	S	*	*				38.6	142	127.2	-149.7	0	0	0	0	121.1
69	H	34.5	Very low	31.3	Very low	153 Å²	153	144.5 Å²	144.5	71%	0.708	79%	0.79	S	S	*	*			trans	90.6	96.8	166.1	-72.4	-65.5	0	0	0	119.3
70	D	31.4	Very low	31.4	Very low	125 Å²	125	144.4 Å²	144.4	67%	0.668	79%	0.789	S	S	*	*				76.5	100.1	112.1	-65.3	3	0	0	0	122.5
71	T	29.4	Very low	31.5	Very low	121 Å²	121	145.7 Å²	145.7	74%	0.742	80%	0.797	S	S	*	*				79.1	146.5	124.8	-21.8	0	0	0	0	120.5
72	I	33.2	Very low	31.4	Very low	161 Å²	161	145.1 Å²	145.1	83%	0.826	79%	0.794	S	S	*	*			trans	97.1	130.9	160.1	-54.6	171.5	0	0	0	116.4
73	S	27.3	Very low	31.3	Very low	97 Å²	97	141.4 Å²	141.4	68%	0.678	79%	0.792	S	S	*	*			trans	-74.7	147.1	-175.7	53.5	0	0	0	0	115.4
74	T	31.9	Very low	31.2	Very low	120 Å²	120	138 Å²	138	74%	0.736	78%	0.783	S	S	*	*			trans	-167.4	114	138.4	18.8	0	0	0	0	108.6
75	V	29.5	Very low	31.4	Very low	127 Å²	127	139.2 Å²	139.2	77%	0.77	79%	0.787	S	S	*	*				42.1	96.1	94.7	-172.2	0	0	0	0	113.4
76	F	31.6	Very low	31.4	Very low	191 Å²	191	138.5 Å²	138.5	84%	0.838	78%	0.783	S	S	*	*			trans	-108.1	101.2	163.3	-95.9	-83.4	0	0	0	110.6
77	S	28.8	Very low	31.3	Very low	105 Å²	105	139.7 Å²	139.7	73%	0.734	78%	0.783	S	S	*	*			trans	-85.2	129.4	154.8	-66.8	0	0	0	0	107.9
78	I	33.5	Very low	31.5	Very low	163 Å²	163	142.8 Å²	142.8	84%	0.836	79%	0.785	S	S	*	*			trans	-106.9	101.5	170.4	-61.7	176.7	0	0	0	107.6
79	E	28.6	Very low	31.6	Very low	179 Å²	179	143 Å²	143	84%	0.836	78%	0.783	S	S	*	*			trans	-140.3	147.4	169.2	-159.5	164.5	-136	0	0	107.4
80	S	31.6	Very low	31.5	Very low	116 Å²	116	141.6 Å²	141.6	81%	0.811	79%	0.785	S	S	*	*			trans	69.5	106.5	-171.6	77.4	0	0	0	0	117.4
81	L	32.2	Very low	31.8	Very low	182 Å²	182	141.4 Å²	141.4	95%	0.953	78%	0.784	S	S	*	*			trans	-146.5	101.8	139.2	-97.4	-179.3	0	0	0	107.4
82	Q	29.5	Very low	31.8	Very low	186 Å²	186	143.6 Å²	143.6	87%	0.869	78%	0.783	S	S	*	*			trans	-150	126.3	171	-152.5	172.7	16.2	0	0	110.6
83	S	27.9	Very low	31.7	Very low	114 Å²	114	147 Å²	147	80%	0.797	79%	0.786	S	S	*	*			trans	58.1	129.5	175.7	62.4	0	0	0	0	116.7
84	S	30.9	Very low	31.9	Very low	107 Å²	107	150.7 Å²	150.7	75%	0.748	79%	0.792	S	S	*	*				-176.6	178.4	64.9	42.8	0	0	0	0	112.9
85	V	34.4	Very low	31.8	Very low	120 Å²	120	153.5 Å²	153.5	73%	0.727	80%	0.797	S	S	*	*			trans	98.6	98.9	157.1	-167	0	0	0	0	118.9
86	N	34.6	Very low	32	Very low	153 Å²	153	152 Å²	152	82%	0.818	79%	0.792	S	S	*	*			trans	86.8	143.4	137.4	-67.2	11.4	0	0	0	124.6
87	E	30.3	Very low	32	Very low	182 Å²	182	151.4 Å²	151.4	85%	0.85	79%	0.792	S	S	*	*			trans	-100.4	151.4	-173.5	-55.1	165.1	121.8	0	0	110.9
88	H	37.6	Very low	32	Very low	173 Å²	173	157.6 Å²	157.6	80%	0.801	80%	0.799	S	S	*	*				-164.9	149.3	127.8	-116.8	-79.2	0	0	0	112.2
89	D	35.3	Very low	32.2	Very low	129 Å²	129	160.3 Å²	160.3	69%	0.69	80%	0.799	S	S	*	*			trans	60.3	103.8	158	-61.3	-7.9	0	0	0	122.5
90	T	32.4	Very low	32.7	Very low	122 Å²	122	156.2 Å²	156.2	75%	0.748	79%	0.79	S	S	*	*			trans	-5.8	137.7	134	54.8	0	0	0	0	118.3
91	D	36.7	Very low	34	Very low	122 Å²	122	154.4 Å²	154.4	65%	0.652	78%	0.777	S	S	*	*				-165.7	176.1	73.5	-146.1	-12.8	0	0	0	113.7
92	K	30.5	Very low	34.6	Very low	166 Å²	166	149.5 Å²	149.5	72%	0.722	76%	0.758	S	S	*	*			trans	-67.2	140.7	-166.7	-47.5	125.8	-169	123.9	0	114.4
93	R	31.5	Very low	35.2	Very low	234 Å²	234	142.8 Å²	142.8	88%	0.883	74%	0.739	S	S	*	*				177.4	133.6	110.9	-94.5	163.8	-173.6	-141.9	2.1	114.2
94	Q	30.3	Very low	36.6	Very low	174 Å²	174	143.6 Å²	143.6	81%	0.813	73%	0.73	S	S	*	*			trans	3.3	121.8	150.3	-54.4	169.4	-2.2	0	0	118.5
95	Q	29.8	Very low	37.5	Very low	178 Å²	178	145.7 Å²	145.7	83%	0.832	73%	0.726	S	S	*	*				168.3	140.1	110.6	-92.9	177.4	-12.7	0	0	115.9
96	S	33.3	Very low	38.2	Very low	96 Å²	96	145 Å²	145	67%	0.671	72%	0.717	S	S	*	*			trans	73.2	105.7	152.9	77.5	0	0	0	0	120.3	R98	S96-R98 PolarHBondContact O-N 3.39Å
97	E	31.6	Very low	39	Very low	179 Å²	179	140 Å²	140	84%	0.836	70%	0.697	S	S	*	*			trans	-67	75.6	169.6	-169.5	-177	-174.3	0	0	112.6	R99	E97-R99 PolarHBondContact O-N 3.18Å; E97-R99 VanDerWaalsContact O-N 3.09Å
98	R	30	Very low	40.3	Very low	234 Å²	234	138.2 Å²	138.2	88%	0.883	69%	0.687	S	S	*	*			trans	-80.2	86	176.6	-85.9	-174	167.6	-179.4	-0.8	112.8	S96 S100	S96-R98 PolarHBondContact O-N 3.39Å; R98-S100 PolarHBondContact O-N 2.99Å
99	R	36.5	Very low	41.1	Very low	221 Å²	221	134.7 Å²	134.7	83%	0.834	67%	0.673	S	S	*	*			trans	-53.3	129.5	163.6	-85.2	179.6	164.6	179.5	-3.9	111.1	E97	E97-R99 PolarHBondContact O-N 3.18Å; E97-R99 VanDerWaalsContact O-N 3.09Å
100	S	40.9	Very low	42.1	Very low	92 Å²	92	132.1 Å²	132.1	64%	0.643	66%	0.659	S	S	*	*			trans	-68.8	139.5	-171.9	49.9	0	0	0	0	113.9	R98 S102	R98-S100 PolarHBondContact O-N 2.99Å; S100-S102 VanDerWaalsContact C-N 3.32Å; S100-S102 PolarHBondContact O-N 2.97Å
101	S	56.9	Low	43.2	Very low	79 Å²	79	131.6 Å²	131.6	55%	0.552	65%	0.651	S	S	*	*	H	α-helix	trans	-76.5	-9.8	-167.3	63.3	0	0	0	0	115.5	Q104 K105	S101-Q104 PolarHBondContact O-N 3.43Å; S101-K105 PolarHBondContact O-N 3.36Å
102	S	45.7	Very low	44.1	Very low	78 Å²	78	130.9 Å²	130.9	55%	0.545	65%	0.651	S	S	.	*	H	α-helix	trans	-65.6	-43.4	179.9	53.6	0	0	0	0	112.4	S100 Q104 K105 L106	S100-S102 VanDerWaalsContact C-N 3.32Å; S100-S102 PolarHBondContact O-N 2.97Å; S102-Q104 VanDerWaalsContact C-N 3.33Å; S102-Q104 PolarHBondContact O-N 2.92Å; S102-K105 PolarHBondContact O-N 2.94Å; S102-L106 PolarHBondContact O-N 2.86Å
103	G	42.9	Very low	44.7	Very low	45 Å²	45	126.8 Å²	126.8	46%	0.464	63%	0.634	S	S	.	*	H	α-helix	trans	-62.7	-36.2	178.9	0	0	0	0	0	113.2	A107	G103-A107 WeakPolarHBondContact O-CB 3.44Å; G103-A107 PolarHBondContact O-N 2.73Å
104	Q	55.8	Low	45.7	Very low	132 Å²	132	119.3 Å²	119.3	62%	0.617	61%	0.614	S	S	*	*	H	α-helix	trans	-72.8	-34.9	175.2	-69.7	-171	0.1	0	0	112.8	S101 S102 A107 K108	S101-Q104 PolarHBondContact O-N 3.43Å; S102-Q104 VanDerWaalsContact C-N 3.33Å; S102-Q104 PolarHBondContact O-N 2.92Å; Q104-A107 PolarHBondContact O-N 2.97Å; Q104-K108 WeakPolarHBondContact O-CB 3.16Å; Q104-K108 WeakPolarHBondContact O-CG 3.37Å; Q104-K108 PolarHBondContact O-N 3.23Å
105	K	50.8	Low	46.1	Very low	150 Å²	150	114 Å²	114	65%	0.652	60%	0.595	S	S	*	*	H	α-helix	trans	-65.3	-44.7	173.3	-74.7	-179	176.9	-176.8	0	111.1	S101 S102 K108 L109	S101-K105 PolarHBondContact O-N 3.36Å; S102-K105 PolarHBondContact O-N 2.94Å; K105-K108 PolarHBondContact O-N 3.49Å; K105-L109 VanDerWaalsContact O-CB 3.31Å; K105-L109 WeakPolarHBondContact O-CB 3.45Å; K105-L109 PolarHBondContact O-N 3.33Å
106	L	49.3	Very low	46.7	Very low	106 Å²	106	110.3 Å²	110.3	56%	0.555	59%	0.588	S	S	*	*	H	α-helix	trans	-60.2	-45.9	172	-99.9	164.1	0	0	0	111.9	S102 K108 L109 L110	S102-L106 PolarHBondContact O-N 2.86Å; L106-K108 PolarHBondContact O-N 2.76Å; L106-L109 PolarHBondContact O-N 3.39Å; L106-L110 WeakPolarHBondContact O-CB 3.39Å; L106-L110 WeakPolarHBondContact O-CG 3.47Å; L106-L110 PolarHBondContact O-N 2.95Å
107	A	52	Low	46.9	Very low	47 Å²	47	117.3 Å²	117.3	39%	0.388	60%	0.599	S	S	.	*	H	α-helix	trans	-63.3	-38.6	177.8	0	0	0	0	0	113	G103 Q104 N111	G103-A107 WeakPolarHBondContact O-CB 3.44Å; G103-A107 PolarHBondContact O-N 2.73Å; Q104-A107 PolarHBondContact O-N 2.97Å; A107-N111 WeakPolarHBondContact O-CB 3.38Å; A107-N111 PolarHBondContact O-N 3.22Å; A107-N111 PolarHBondContact O-ND2 3.26Å
108	K	56.1	Low	47	Very low	146 Å²	146	115.4 Å²	115.4	64%	0.635	60%	0.595	S	S	*	*	H	α-helix	trans	-65.5	-44	173.5	-77.2	179.8	177.4	-176.8	0	111.8	Q104 K105 L106 N111 V112	Q104-K108 WeakPolarHBondContact O-CB 3.16Å; Q104-K108 WeakPolarHBondContact O-CG 3.37Å; Q104-K108 PolarHBondContact O-N 3.23Å; K105-K108 PolarHBondContact O-N 3.49Å; L106-K108 PolarHBondContact O-N 2.76Å; K108-N111 PolarHBondContact O-N 3.24Å; K108-V112 PolarHBondContact O-N 3.17Å
109	L	55.6	Low	47.2	Very low	99 Å²	99	116 Å²	116	52%	0.518	60%	0.597	S	S	.	*	H	α-helix	trans	-64.7	-42.2	177.5	-170.5	148.7	0	0	0	111.4	K105 L106 N111 V112 F113	K105-L109 VanDerWaalsContact O-CB 3.31Å; K105-L109 WeakPolarHBondContact O-CB 3.45Å; K105-L109 PolarHBondContact O-N 3.33Å; L106-L109 PolarHBondContact O-N 3.39Å; L109-N111 PolarHBondContact O-N 2.96Å; L109-V112 WeakPolarHBondContact O-CB 3.46Å; L109-V112 PolarHBondContact O-N 3.44Å; L109-F113 HydrophobicContact CD2-CD2 3.95Å; L109-F113 HydrophobicContact CD2-CE2 3.71Å; L109-F113 HydrophobicContact CG-CE2 4.21Å; L109-F113 WeakPolarHBondContact O-CD2 3.38Å; L109-F113 PolarHBondContact O-N 3.49Å
110	L	54.5	Low	47	Very low	74 Å²	74	112.7 Å²	112.7	39%	0.387	59%	0.594	S	S	.	*	H	α-helix	trans	-63	-39.1	173.4	-71.6	166.7	0	0	0	112.3	L106 V112 F113 T114	L106-L110 WeakPolarHBondContact O-CB 3.39Å; L106-L110 WeakPolarHBondContact O-CG 3.47Å; L106-L110 PolarHBondContact O-N 2.95Å; L110-V112 VanDerWaalsContact C-N 3.3Å; L110-V112 PolarHBondContact O-N 2.92Å; L110-F113 CarbonylContact O-C 3.58Å; L110-F113 PolarHBondContact O-N 3.3Å; L110-F113 VanDerWaalsContact O-N 3.08Å; L110-T114 PolarHBondContact O-N 3.12Å
111	N	56.4	Low	46.6	Very low	111 Å²	111	112.1 Å²	112.1	59%	0.594	60%	0.595	S	S	*	*	H	α-helix	trans	-63.6	-32.4	175.5	-77.7	-25.4	0	0	0	112.9	A107 K108 L109 F113 T114	A107-N111 WeakPolarHBondContact O-CB 3.38Å; A107-N111 PolarHBondContact O-N 3.22Å; A107-N111 PolarHBondContact O-ND2 3.26Å; K108-N111 PolarHBondContact O-N 3.24Å; L109-N111 PolarHBondContact O-N 2.96Å; N111-F113 VanDerWaalsContact C-N 3.27Å; N111-F113 PolarHBondContact O-N 2.74Å; N111-T114 WeakPolarHBondContact CA-OG1 3.49Å; N111-T114 PolarHBondContact O-N 3.49Å; N111-T114 PolarHBondContact O-OG1 2.87Å
112	V	56.5	Low	45.4	Very low	108 Å²	108	120.4 Å²	120.4	66%	0.655	61%	0.614	S	S	*	*	H	α-helix	trans	-65.7	-30.8	173.1	173.6	0	0	0	0	111.5	K108 L109 L110	K108-V112 PolarHBondContact O-N 3.17Å; L109-V112 WeakPolarHBondContact O-CB 3.46Å; L109-V112 PolarHBondContact O-N 3.44Å; L110-V112 VanDerWaalsContact C-N 3.3Å; L110-V112 PolarHBondContact O-N 2.92Å
113	F	42.6	Very low	44.7	Very low	80 Å²	80	127 Å²	127	35%	0.351	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.9	-2.1	177.7	-68.7	-66.4	0	0	0	114.9	L109 L110 N111 P115 R462 L537	L109-F113 HydrophobicContact CD2-CD2 3.95Å; L109-F113 HydrophobicContact CD2-CE2 3.71Å; L109-F113 HydrophobicContact CG-CE2 4.21Å; L109-F113 WeakPolarHBondContact O-CD2 3.38Å; L109-F113 PolarHBondContact O-N 3.49Å; L110-F113 CarbonylContact O-C 3.58Å; L110-F113 PolarHBondContact O-N 3.3Å; L110-F113 VanDerWaalsContact O-N 3.08Å; N111-F113 VanDerWaalsContact C-N 3.27Å; N111-F113 PolarHBondContact O-N 2.74Å; F113-P115 VanDerWaalsContact O-CD 3.28Å; F113-P115 WeakPolarHBondContact O-CD 3.36Å; F113-R462 PolarHBondContact O-NH1 3.35Å; F113-L537 HydrophobicContact CE1-CD2 4.03Å; F113-L537 HydrophobicContact CZ-CD2 4.17Å
114	T	52	Low	44.1	Very low	77 Å²	77	130.5 Å²	130.5	47%	0.472	65%	0.645	S	S	.	*	S	Bend	trans	-94.8	106	173.2	51.1	0	0	0	0	111.8	L110 N111 C116	L110-T114 PolarHBondContact O-N 3.12Å; N111-T114 WeakPolarHBondContact CA-OG1 3.49Å; N111-T114 PolarHBondContact O-N 3.49Å; N111-T114 PolarHBondContact O-OG1 2.87Å; T114-C116 PolarHBondContact O-N 3.32Å
115	P	39.5	Very low	43.1	Very low	63 Å²	63	135.2 Å²	135.2	41%	0.409	66%	0.657	S	S	.	*			trans	-71.5	119.4	174.6	28.5	-32.6	0	0	0	110.3	F113	F113-P115 VanDerWaalsContact O-CD 3.28Å; F113-P115 WeakPolarHBondContact O-CD 3.36Å
116	C	40.9	Very low	42.1	Very low	100 Å²	100	133.7 Å²	133.7	68%	0.676	67%	0.665	S	S	*	*			trans	50.7	81	160.5	-55.3	0	0	0	0	115.9	T114 N118	T114-C116 PolarHBondContact O-N 3.32Å; C116-N118 PolarHBondContact O-N 2.89Å
117	R	38.4	Very low	41.1	Very low	242 Å²	242	139.1 Å²	139.1	91%	0.913	68%	0.684	S	S	*	*			trans	-59.5	102.9	153.6	-172.3	175.6	-171.2	154.1	0.2	107.6	R119	R117-R119 PolarHBondContact O-N 3.5Å
118	N	33.6	Very low	40.2	Very low	140 Å²	140	140 Å²	140	75%	0.749	70%	0.698	S	S	*	*			trans	-51.3	105	-178.6	-85.2	-13.7	0	0	0	110.2	C116 I120	C116-N118 PolarHBondContact O-N 2.89Å; N118-I120 PolarHBondContact O-N 3.03Å
119	R	34.1	Very low	39	Very low	246 Å²	246	139.5 Å²	139.5	93%	0.928	70%	0.702	S	S	*	*			trans	-67.8	90.4	161.7	-87.2	-175.5	173.4	171.6	-2.7	106.2	R117 A121	R117-R119 PolarHBondContact O-N 3.5Å; R119-A121 VanDerWaalsContact C-N 3.29Å; R119-A121 PolarHBondContact O-N 3.44Å
120	I	32.4	Very low	38	Very low	152 Å²	152	142.6 Å²	142.6	78%	0.779	72%	0.717	S	S	*	*			trans	-60	100.6	163.5	-63.2	175.2	0	0	0	105.6	N118 R122	N118-I120 PolarHBondContact O-N 3.03Å; I120-R122 PolarHBondContact O-N 3.44Å; I120-R122 VanDerWaalsContact O-N 3.09Å
121	A	32	Very low	36.8	Very low	80 Å²	80	145.3 Å²	145.3	66%	0.661	73%	0.732	S	S	*	*			trans	-63.4	112.6	175.2	0	0	0	0	0	107.6	R119 R123	R119-A121 VanDerWaalsContact C-N 3.29Å; R119-A121 PolarHBondContact O-N 3.44Å; A121-R123 PolarHBondContact O-N 3.04Å
122	R	32	Very low	35.7	Very low	252 Å²	252	149.1 Å²	149.1	95%	0.951	74%	0.744	S	S	*	*			trans	-63.3	86.2	167.8	-78.1	177.8	165	172.4	-6.3	108.5	I120	I120-R122 PolarHBondContact O-N 3.44Å; I120-R122 VanDerWaalsContact O-N 3.09Å
123	R	31.9	Very low	34.6	Very low	218 Å²	218	150.1 Å²	150.1	82%	0.823	75%	0.75	S	S	*	*			trans	-92.9	102.1	159	-84.1	-167.6	168.2	-150	-4.7	108	A121 R125	A121-R123 PolarHBondContact O-N 3.04Å; R123-R125 PolarHBondContact O-N 3.27Å
124	S	29.4	Very low	34.2	Very low	118 Å²	118	153.9 Å²	153.9	83%	0.825	77%	0.773	S	S	*	*			trans	-52.4	125.5	163.1	36.7	0	0	0	0	109.8
125	R	34.1	Very low	33.3	Very low	231 Å²	231	159.4 Å²	159.4	87%	0.872	79%	0.791	S	S	*	*			trans	-131.4	145.4	155.3	-76	-163.6	166.3	-167.7	-5.6	108.3	R123	R123-R125 PolarHBondContact O-N 3.27Å
126	S	30.6	Very low	33	Very low	117 Å²	117	160.6 Å²	160.6	82%	0.818	80%	0.801	S	S	*	*			trans	-68.1	154.9	-159.8	45.1	0	0	0	0	113.6
127	F	28.2	Very low	32.5	Very low	221 Å²	221	162.6 Å²	162.6	97%	0.969	81%	0.805	S	S	*	*			trans	-57.4	138.2	162.4	-80.7	-104.1	0	0	0	110.1
128	G	33.1	Very low	32.3	Very low	65 Å²	65	159.7 Å²	159.7	67%	0.67	80%	0.801	S	S	*	*			trans	-155.4	103.3	172.7	0	0	0	0	0	108.5
129	D	30.6	Very low	32.2	Very low	136 Å²	136	162.6 Å²	162.6	73%	0.727	81%	0.807	S	S	*	*			trans	18.8	108	162.8	-56.9	-52.2	0	0	0	120.2
130	I	34.6	Very low	32.1	Very low	163 Å²	163	159.3 Å²	159.3	84%	0.836	80%	0.8	S	S	*	*				-136.1	107.4	117.9	-67.5	96.4	0	0	0	108.2
131	N	29.4	Very low	31.9	Very low	131 Å²	131	158.3 Å²	158.3	70%	0.701	80%	0.796	S	S	*	*			trans	-80.4	156.3	163.6	-86.9	-60.2	0	0	0	110.5
132	K	34.1	Very low	31.8	Very low	192 Å²	192	164.2 Å²	164.2	84%	0.835	80%	0.801	S	S	*	*			trans	72.8	124.5	178.5	-46.1	168.8	-174.5	177.2	0	112
133	T	33.9	Very low	31.7	Very low	129 Å²	129	161.3 Å²	161.3	79%	0.791	80%	0.796	S	S	*	*			cis	-148.3	161.9	2.9	33.9	0	0	0	0	106.1
134	L	33.8	Very low	31.4	Very low	159 Å²	159	159.6 Å²	159.6	83%	0.832	79%	0.794	S	S	*	*			cis	-155.6	157.7	27	-157.3	77.7	0	0	0	109.8
135	K	32.8	Very low	31.4	Very low	192 Å²	192	161.9 Å²	161.9	84%	0.835	80%	0.797	S	S	*	*			trans	-55.2	159.9	170.2	-59.4	168.8	-178.4	176.9	0	112.2
136	S	32.7	Very low	31.1	Very low	89 Å²	89	156.8 Å²	156.8	62%	0.622	79%	0.792	S	S	*	*			cis	-177.6	167.3	-14.6	50.4	0	0	0	0	109.1
137	N	30	Very low	30.9	Very low	142 Å²	142	156.7 Å²	156.7	76%	0.759	79%	0.79	S	S	*	*			trans	72.9	92.6	159.3	-52.2	-24.9	0	0	0	119.4
138	H	36	Very low	30.8	Very low	180 Å²	180	151.3 Å²	151.3	83%	0.833	78%	0.78	S	S	*	*				-152.9	122.6	121	-114	-75.9	0	0	0	111.3	F140	H138-F140 PolarHBondContact O-N 3.08Å
139	K	30.1	Very low	30.5	Very low	202 Å²	202	153.6 Å²	153.6	88%	0.878	79%	0.785	S	S	*	*			trans	-95.3	89.8	-169.5	-170.6	178.7	-174.7	177.9	0	110.3	N141	K139-N141 PolarHBondContact O-N 3.01Å
140	F	31.7	Very low	30.3	Very low	176 Å²	176	156.4 Å²	156.4	77%	0.772	79%	0.794	S	S	*	*			trans	-81.8	114.2	174.7	-90.7	-83.7	0	0	0	111.6	H138	H138-F140 PolarHBondContact O-N 3.08Å
141	N	29.7	Very low	29.7	Very low	132 Å²	132	156.5 Å²	156.5	71%	0.706	80%	0.796	S	S	*	*			trans	-106.1	114.6	177.6	-167.1	-2.9	0	0	0	109.2	K139	K139-N141 PolarHBondContact O-N 3.01Å
142	W	28.4	Very low	29.4	Very low	204 Å²	204	159.6 Å²	159.6	77%	0.773	80%	0.803	S	S	*	*			trans	-95.6	109.6	178.9	-78.7	38.9	0	0	0	110	F144	W142-F144 HydrophobicContact CE3-CE2 4.32Å
143	K	29.7	Very low	29.1	Very low	191 Å²	191	156.2 Å²	156.2	83%	0.83	80%	0.798	S	S	*	*			trans	-106.3	117.3	162.6	-80.2	-172	173.2	-174.8	0	109.4
144	F	26.4	Very low	28.7	Very low	182 Å²	182	155.9 Å²	155.9	80%	0.798	80%	0.796	S	S	*	*			trans	-70.3	132.3	165.7	-83.3	-98.4	0	0	0	109.1	W142	W142-F144 HydrophobicContact CE3-CE2 4.32Å
145	N	29.4	Very low	28.5	Very low	165 Å²	165	153.4 Å²	153.4	88%	0.882	79%	0.787	S	S	*	*			trans	-127.1	141.3	159	-114	2.9	0	0	0	109.3
146	T	27.2	Very low	28.4	Very low	124 Å²	124	150 Å²	150	76%	0.761	79%	0.785	S	S	*	*			trans	-95.1	165.8	-175.9	47.3	0	0	0	0	111.4
147	C	26.8	Very low	28.1	Very low	115 Å²	115	151.5 Å²	151.5	78%	0.777	79%	0.79	S	S	*	*			trans	99.6	144.5	160.9	-58.1	0	0	0	0	119.5
148	S	26.9	Very low	28	Very low	109 Å²	109	152.3 Å²	152.3	76%	0.762	79%	0.794	S	S	*	*			trans	62.1	113.2	157.3	-62.9	0	0	0	0	120.7	Q150	S148-Q150 PolarHBondContact O-N 3.47Å
149	S	25.5	Very low	27.7	Very low	112 Å²	112	149.8 Å²	149.8	78%	0.783	79%	0.791	S	S	*	*			trans	-22	107.8	141.2	48.9	0	0	0	0	115.9
150	Q	26.7	Very low	27.7	Very low	195 Å²	195	145.8 Å²	145.8	91%	0.911	79%	0.786	S	S	*	*				-166.6	154.2	121.3	-103	-174.8	65.2	0	0	110.7	S148	S148-Q150 PolarHBondContact O-N 3.47Å
151	L	23.3	Very low	27.4	Very low	166 Å²	166	144.5 Å²	144.5	87%	0.869	79%	0.786	S	S	*	*			trans	-74.9	122.9	-174.3	-90.2	156.5	0	0	0	112.6
152	K	23.3	Very low	27.2	Very low	195 Å²	195	144.8 Å²	144.8	85%	0.848	79%	0.792	S	S	*	*			trans	-154.2	88.2	151	-146.1	167	-172.1	175.2	0	111.8	V154	K152-V154 PolarHBondContact O-N 3.34Å
153	V	27	Very low	27.2	Very low	121 Å²	121	139.2 Å²	139.2	73%	0.733	78%	0.781	S	S	*	*			trans	-77.3	105.2	169.8	178	0	0	0	0	108.3	V155	V153-V155 HydrophobicContact CG1-CG2 4.41Å; V153-V155 PolarHBondContact O-N 3.42Å
154	V	25.6	Very low	27	Very low	123 Å²	123	135 Å²	135	75%	0.745	78%	0.776	S	S	*	*			trans	-78	113.6	168.4	178	0	0	0	0	107.7	K152	K152-V154 PolarHBondContact O-N 3.34Å
155	V	29.3	Very low	27	Very low	106 Å²	106	136.8 Å²	136.8	64%	0.642	78%	0.777	S	S	*	*			trans	-83.2	125.4	174.7	177.8	0	0	0	0	108.8	V153 T157	V153-V155 HydrophobicContact CG1-CG2 4.41Å; V153-V155 PolarHBondContact O-N 3.42Å; V155-T157 PolarHBondContact O-N 2.89Å; V155-T157 VanDerWaalsContact O-N 3.1Å
156	P	31	Very low	26.9	Very low	122 Å²	122	133.6 Å²	133.6	79%	0.792	76%	0.764	S	S	*	*			trans	-68.8	107.1	169.7	-13.9	29	0	0	0	109.5	N158	P156-N158 PolarHBondContact O-N 3.19Å
157	T	27.2	Very low	26.8	Very low	120 Å²	120	133.9 Å²	133.9	74%	0.736	77%	0.765	S	S	*	*			trans	-67.7	115.1	165.3	48.3	0	0	0	0	108.7	V155	V155-T157 PolarHBondContact O-N 2.89Å; V155-T157 VanDerWaalsContact O-N 3.1Å
158	N	27	Very low	26.8	Very low	159 Å²	159	135 Å²	135	85%	0.85	76%	0.763	S	S	*	*			trans	171.3	56.1	150.2	-86	-14.4	0	0	0	113.7	P156	P156-N158 PolarHBondContact O-N 3.19Å
159	V	30.6	Very low	26.7	Very low	127 Å²	127	133.1 Å²	133.1	77%	0.77	75%	0.75	S	S	*	*	S	Bend	trans	-145.3	134.3	154.2	-171.8	0	0	0	0	108.6
160	P	28	Very low	26.8	Very low	118 Å²	118	135.1 Å²	135.1	77%	0.766	75%	0.75	S	S	*	*			trans	-70.9	135.8	-177.2	-17.5	31.5	0	0	0	113.6	V162	P160-V162 PolarHBondContact O-N 2.75Å
161	L	26.5	Very low	26.7	Very low	148 Å²	148	131.7 Å²	131.7	78%	0.775	75%	0.748	S	S	*	*			trans	-67.6	111	173.9	-90.9	71.1	0	0	0	111.9	T163	L161-T163 HydrophobicContact CB-CG2 4.3Å; L161-T163 HydrophobicContact CD2-CG2 4.14Å; L161-T163 PolarHBondContact O-N 2.76Å
162	V	26.4	Very low	27	Very low	138 Å²	138	134.9 Å²	134.9	84%	0.836	75%	0.748	S	S	*	*			trans	-80.7	107.4	158.1	180	0	0	0	0	108.1	P160	P160-V162 PolarHBondContact O-N 2.75Å
163	T	26.7	Very low	27.1	Very low	87 Å²	87	133.9 Å²	133.9	53%	0.534	74%	0.744	S	S	.	*			trans	-107.9	90.3	-174.8	26.8	0	0	0	0	111.6	L161 R165	L161-T163 HydrophobicContact CB-CG2 4.3Å; L161-T163 HydrophobicContact CD2-CG2 4.14Å; L161-T163 PolarHBondContact O-N 2.76Å; T163-R165 VanDerWaalsContact C-N 3.33Å; T163-R165 PolarHBondContact O-N 2.9Å
164	S	27.1	Very low	27.3	Very low	103 Å²	103	137.2 Å²	137.2	72%	0.72	75%	0.751	S	S	*	*			trans	-80.4	75.1	176.3	-58.4	0	0	0	0	111.9	T166	S164-T166 PolarHBondContact O-N 2.87Å
165	R	26.4	Very low	27.5	Very low	220 Å²	220	137 Å²	137	83%	0.83	75%	0.746	S	S	*	*			trans	-85.2	88.7	173.1	-118.6	-173.9	179.9	-175.4	0.7	110	T163 T167	T163-R165 VanDerWaalsContact C-N 3.33Å; T163-R165 PolarHBondContact O-N 2.9Å; R165-T167 PolarHBondContact O-N 3.23Å
166	T	27	Very low	27.6	Very low	98 Å²	98	138.9 Å²	138.9	60%	0.601	75%	0.752	S	S	*	*			trans	-88.9	82.6	-179.2	-41.8	0	0	0	0	111.8	S164 L168	S164-T166 PolarHBondContact O-N 2.87Å; T166-L168 HydrophobicContact CG2-CD1 3.96Å; T166-L168 HydrophobicContact CG2-CG 4.14Å
167	T	25.3	Very low	27.5	Very low	129 Å²	129	140 Å²	140	79%	0.791	75%	0.75	S	S	*	*			trans	-93.1	102.9	167.2	51	0	0	0	0	110	R165	R165-T167 PolarHBondContact O-N 3.23Å
168	L	26.6	Very low	27.7	Very low	139 Å²	139	142.2 Å²	142.2	73%	0.728	76%	0.756	S	S	*	*			trans	-105	103	177.2	-81.5	167.8	0	0	0	111.8	T166	T166-L168 HydrophobicContact CG2-CD1 3.96Å; T166-L168 HydrophobicContact CG2-CG 4.14Å
169	S	23.7	Very low	27.8	Very low	70 Å²	70	142 Å²	142	49%	0.49	76%	0.756	S	S	.	*			trans	-155.1	99.9	154.9	72.9	0	0	0	0	110.2	K660	S169-K660 PolarHBondContact OG-NZ 2.96Å
170	I	29.1	Very low	27.8	Very low	153 Å²	153	145 Å²	145	79%	0.785	76%	0.761	S	S	*	*			trans	-140.4	119.9	155.3	-77.8	102.3	0	0	0	107.2	R172	I170-R172 HydrophobicContact CG2-CG 4.06Å
171	S	23.8	Very low	27.7	Very low	123 Å²	123	144.6 Å²	144.6	86%	0.86	76%	0.761	S	S	*	*			trans	-88.3	135.9	159.8	-46.1	0	0	0	0	107.8
172	R	29.4	Very low	28	Very low	233 Å²	233	144.6 Å²	144.6	88%	0.879	76%	0.76	S	S	*	*			trans	-140	135.2	154.9	-76.1	-163.7	175.9	178.8	-2.4	110.2	I170	I170-R172 HydrophobicContact CG2-CG 4.06Å
173	K	26	Very low	28.1	Very low	175 Å²	175	149.2 Å²	149.2	76%	0.761	76%	0.763	S	S	*	*			trans	-64.1	153.9	164.4	-57.6	176.3	170	-166.6	0	109.1
174	H	31.3	Very low	28.4	Very low	190 Å²	190	155.3 Å²	155.3	88%	0.88	78%	0.778	S	S	*	*				-143	137.4	124.5	-111.7	-83.2	0	0	0	108.2
175	D	28.2	Very low	28.8	Very low	119 Å²	119	156.3 Å²	156.3	64%	0.636	78%	0.775	S	S	*	*			trans	-74.8	151	172.8	-49.3	-83.6	0	0	0	109
176	D	31.7	Very low	29	Very low	146 Å²	146	151.9 Å²	151.9	78%	0.781	77%	0.768	S	S	*	*			trans	-175	104.7	140.3	-89.6	-26.3	0	0	0	110.2
177	I	29.3	Very low	29.4	Very low	145 Å²	145	153 Å²	153	74%	0.744	77%	0.77	S	S	*	*				40.2	112.2	121.3	-54.5	164.6	0	0	0	116.8
178	L	32.3	Very low	30	Very low	166 Å²	166	152.8 Å²	152.8	87%	0.869	76%	0.764	S	S	*	*				-167.4	122.6	117	-100.2	170.2	0	0	0	110.2
179	N	27.6	Very low	30.4	Very low	156 Å²	156	152.1 Å²	152.1	83%	0.834	76%	0.761	S	S	*	*			trans	-75.1	141.4	168.3	-87.6	-24.4	0	0	0	109.4
180	E	31.1	Very low	30.9	Very low	189 Å²	189	155 Å²	155	88%	0.883	77%	0.771	S	S	*	*				-152	138.8	127.8	-131.6	170.7	-174.8	0	0	111.5
181	S	27.1	Very low	31.1	Very low	109 Å²	109	154 Å²	154	76%	0.762	77%	0.767	S	S	*	*			trans	-129.1	118.8	-170.9	55.1	0	0	0	0	110
182	I	32.8	Very low	31.6	Very low	149 Å²	149	154.7 Å²	154.7	76%	0.764	76%	0.761	S	S	*	*			trans	-125.6	119.5	172.5	-60.3	-178.4	0	0	0	109.1	Y184	I182-Y184 HydrophobicContact CG2-CD2 4.37Å
183	R	27.2	Very low	31.7	Very low	235 Å²	235	150.9 Å²	150.9	89%	0.887	76%	0.758	S	S	*	*			trans	-92	134.8	171	-69.5	176.3	173.1	178.3	-1.9	109.7
184	Y	34.2	Very low	32	Very low	215 Å²	215	148.5 Å²	148.5	84%	0.843	76%	0.764	S	S	*	*			trans	-147	104.1	144.5	-87.6	-81.5	0	0	0	105.9	I182	I182-Y184 HydrophobicContact CG2-CD2 4.37Å
185	N	33.9	Very low	32	Very low	124 Å²	124	147.2 Å²	147.2	66%	0.663	76%	0.763	S	S	*	*				86.2	114.9	65	-166.9	32	0	0	0	112.3
186	N	32.2	Very low	32.2	Very low	127 Å²	127	147 Å²	147	68%	0.679	77%	0.771	S	S	*	*			trans	41.5	140.6	149.8	-72.3	2	0	0	0	119.9
187	N	34.9	Very low	32.1	Very low	120 Å²	120	147.3 Å²	147.3	64%	0.642	77%	0.773	S	S	*	*			cis	-174.8	162.8	31.7	-127	-4	0	0	0	112.1
188	N	37	Very low	32.2	Very low	125 Å²	125	148.4 Å²	148.4	67%	0.668	78%	0.78	S	S	*	*			trans	71.5	136.2	142.1	-75.8	-2.6	0	0	0	125
189	N	35.6	Very low	31.9	Very low	126 Å²	126	144.3 Å²	144.3	67%	0.674	78%	0.778	S	S	*	*			trans	93	93.3	138.7	-68.9	-3.8	0	0	0	121.4
190	N	34.2	Very low	31.9	Very low	129 Å²	129	142 Å²	142	69%	0.69	77%	0.774	S	S	*	*				65.2	121.8	109.5	-71.4	-0.2	0	0	0	121.5
191	N	33.3	Very low	31.7	Very low	132 Å²	132	138.9 Å²	138.9	71%	0.706	77%	0.77	S	S	*	*				100.3	133.2	125.8	-75.7	-0.3	0	0	0	121.3
192	N	35.1	Very low	31.6	Very low	139 Å²	139	139.2 Å²	139.2	74%	0.743	77%	0.773	S	S	*	*			trans	85.3	97.4	149.2	-60.7	-11.5	0	0	0	119.6
193	N	30.3	Very low	31.4	Very low	153 Å²	153	137.1 Å²	137.1	82%	0.818	77%	0.771	S	S	*	*				24.7	124.6	122.3	-76.6	-10.4	0	0	0	118.3
194	S	33.8	Very low	31.4	Very low	124 Å²	124	129.7 Å²	129.7	87%	0.867	76%	0.755	S	S	*	*				-164.3	149.2	107.4	-83.2	0	0	0	0	113.2
195	N	30	Very low	31.4	Very low	163 Å²	163	123 Å²	123	87%	0.872	73%	0.734	S	S	*	*			trans	-64.5	146.6	178.4	-66.6	-42.4	0	0	0	112.9
196	S	33	Very low	31.2	Very low	116 Å²	116	125.8 Å²	125.8	81%	0.811	74%	0.74	S	S	*	*				-159.7	135.6	121.8	53.8	0	0	0	0	111.7
197	N	29.9	Very low	31.2	Very low	152 Å²	152	124 Å²	124	81%	0.813	73%	0.726	S	S	*	*			trans	-68.9	142.8	178.3	-63.1	-48.5	0	0	0	111.5
198	N	31.4	Very low	30.9	Very low	167 Å²	167	123.8 Å²	123.8	89%	0.893	73%	0.725	S	S	*	*			trans	-160.5	94.7	145.2	-95.7	-34.2	0	0	0	109.5
199	G	25	Very low	30.8	Very low	81 Å²	81	121.7 Å²	121.7	84%	0.835	72%	0.721	S	S	*	*			trans	-86.2	112.1	-179	0	0	0	0	0	112.3
200	S	27.2	Very low	30.7	Very low	107 Å²	107	122.9 Å²	122.9	75%	0.748	73%	0.727	S	S	*	*			trans	-74.3	137	166.8	-63.9	0	0	0	0	110.5	S202	S200-S202 PolarHBondContact O-N 3.19Å
201	P	27.4	Very low	30.6	Very low	123 Å²	123	119.6 Å²	119.6	80%	0.799	71%	0.713	S	S	*	*			trans	-73.8	98.4	-174.3	29.3	-34.5	0	0	0	111.4	S203	P201-S203 VanDerWaalsContact C-N 3.3Å; P201-S203 PolarHBondContact O-N 3.04Å
202	S	25.9	Very low	31.2	Very low	117 Å²	117	117.3 Å²	117.3	82%	0.818	71%	0.707	S	S	*	*			trans	-70.7	86.9	166	-67.2	0	0	0	0	109.4	S200 S204	S200-S202 PolarHBondContact O-N 3.19Å; S202-S204 VanDerWaalsContact C-N 3.33Å; S202-S204 PolarHBondContact O-N 3.42Å
203	S	27.1	Very low	31.8	Very low	104 Å²	104	115.1 Å²	115.1	73%	0.727	69%	0.689	S	S	*	*			trans	-69.8	85.6	179.6	62.6	0	0	0	0	111.4	P201 I205	P201-S203 VanDerWaalsContact C-N 3.3Å; P201-S203 PolarHBondContact O-N 3.04Å; S203-I205 PolarHBondContact O-N 3.48Å; S203-I205 VanDerWaalsContact O-N 3.12Å
204	S	29	Very low	32.9	Very low	79 Å²	79	109.2 Å²	109.2	55%	0.552	66%	0.66	S	S	*	*			trans	-65.7	105.9	168.7	53.9	0	0	0	0	109.6	S202 F206	S202-S204 VanDerWaalsContact C-N 3.33Å; S202-S204 PolarHBondContact O-N 3.42Å; S204-F206 WeakPolarHBondContact O-CD2 3.36Å; S204-F206 PolarHBondContact O-N 3.03Å; S204-F206 WeakPolarHBondContact OG-CE2 3.37Å
205	I	33.7	Very low	33.8	Very low	76 Å²	76	104.9 Å²	104.9	39%	0.39	63%	0.629	S	S	.	*			trans	-69.9	96.5	174.5	-57.7	175.8	0	0	0	108.1	S203 F207 F220	S203-I205 PolarHBondContact O-N 3.48Å; S203-I205 VanDerWaalsContact O-N 3.12Å; I205-F207 HydrophobicContact CB-CE2 4.35Å; I205-F207 HydrophobicContact CB-CZ 4.38Å; I205-F207 HydrophobicContact CG2-CD1 4.38Å; I205-F207 HydrophobicContact CG2-CD2 4.45Å; I205-F207 HydrophobicContact CG2-CE1 3.94Å; I205-F207 HydrophobicContact CG2-CE2 4.01Å; I205-F207 HydrophobicContact CG2-CZ 3.74Å; I205-F207 WeakPolarHBondContact O-CD2 3.29Å; I205-F207 PolarHBondContact O-N 2.73Å; I205-F220 HydrophobicContact CG2-CD2 4.38Å; I205-F220 HydrophobicContact CG2-CE2 4.14Å
206	F	28.4	Very low	35	Very low	182 Å²	182	97.9 Å²	97.9	80%	0.798	59%	0.591	S	S	*	*			trans	-73.5	111.5	171.3	-74.9	-80.7	0	0	0	109.6	S204	S204-F206 WeakPolarHBondContact O-CD2 3.36Å; S204-F206 PolarHBondContact O-N 3.03Å; S204-F206 WeakPolarHBondContact OG-CE2 3.37Å
207	F	32.6	Very low	36.5	Very low	89 Å²	89	92.9 Å²	92.9	39%	0.39	56%	0.555	S	S	.	*			trans	-81.2	118.5	175.1	-65.4	-81.1	0	0	0	110.2	I205 S209 Q216	I205-F207 HydrophobicContact CB-CE2 4.35Å; I205-F207 HydrophobicContact CB-CZ 4.38Å; I205-F207 HydrophobicContact CG2-CD1 4.38Å; I205-F207 HydrophobicContact CG2-CD2 4.45Å; I205-F207 HydrophobicContact CG2-CE1 3.94Å; I205-F207 HydrophobicContact CG2-CE2 4.01Å; I205-F207 HydrophobicContact CG2-CZ 3.74Å; I205-F207 WeakPolarHBondContact O-CD2 3.29Å; I205-F207 PolarHBondContact O-N 2.73Å; F207-S209 PolarHBondContact O-N 2.91Å; F207-Q216 HydrophobicContact CD1-CB 4.39Å
208	N	28.6	Very low	38.1	Very low	116 Å²	116	86.6 Å²	86.6	62%	0.62	52%	0.521	S	S	*	.			trans	-73.8	123.4	178.6	-169.9	-6.9	0	0	0	110.1	N210 Q216	N208-N210 PolarHBondContact O-N 3.32Å; N208-Q216 PolarHBondContact O-NE2 3.47Å
209	S	34.8	Very low	39.7	Very low	81 Å²	81	83.7 Å²	83.7	57%	0.566	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.7	-164.4	54.1	0	0	0	0	116.2	F207	F207-S209 PolarHBondContact O-N 2.91Å
210	N	33.3	Very low	42.2	Very low	150 Å²	150	84.9 Å²	84.9	80%	0.802	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	10.8	-168.2	-68.5	7.8	0	0	0	114.9	N208	N208-N210 PolarHBondContact O-N 3.32Å
211	C	32.4	Very low	44.7	Very low	60 Å²	60	81.4 Å²	81.4	41%	0.405	46%	0.46	S	S	.	.	S	Bend	trans	-121.2	136.2	176	-157.3	0	0	0	0	110.4	Y213 T215 Q216	C211-Y213 PolarHBondContact O-N 3.19Å; C211-T215 PolarHBondContact SG-OG1 2.78Å; C211-Q216 HydrophobicContact CB-CG 4.15Å
212	S	47.1	Very low	47.2	Very low	84 Å²	84	76.9 Å²	76.9	59%	0.587	43%	0.433	S	S	*	.			trans	-49.8	115.5	177.8	-70.1	0	0	0	0	110.7	S214 T215	S212-S214 PolarHBondContact O-N 2.86Å; S212-T215 WeakPolarHBondContact O-CB 3.26Å; S212-T215 PolarHBondContact O-N 3.5Å; S212-T215 PolarHBondContact O-OG1 2.58Å
213	Y	47.3	Very low	49.8	Very low	93 Å²	93	76.3 Å²	76.3	37%	0.365	42%	0.417	S	S	.	.	H	α-helix	trans	-50.6	-28.3	-171.9	-69.1	-80.1	0	0	0	114.3	C211 T215 Q216 L217 M619	C211-Y213 PolarHBondContact O-N 3.19Å; Y213-T215 VanDerWaalsContact C-N 3.28Å; Y213-T215 PolarHBondContact O-N 3.23Å; Y213-Q216 PolarHBondContact O-N 2.89Å; Y213-L217 WeakPolarHBondContact O-CG 3.47Å; Y213-L217 PolarHBondContact O-N 3.15Å; Y213-M619 HydrophobicContact CE2-CG 4.38Å
214	S	52.1	Low	52.5	Low	29 Å²	29	73 Å²	73	20%	0.203	39%	0.393	C	S	.	.	H	α-helix	trans	-58.3	-34.2	173.1	49	0	0	0	0	114.7	S212 Y490 R493	S212-S214 PolarHBondContact O-N 2.86Å; S214-Y490 WeakPolarHBondContact CB-OH 3.21Å; S214-Y490 PolarHBondContact OG-OH 3.27Å; S214-R493 PolarHBondContact O-NH1 3.4Å
215	T	54.5	Low	55.1	Low	34 Å²	34	73 Å²	73	21%	0.209	39%	0.387	C	S	.	.	H	α-helix	trans	-78.7	-36.4	179.1	63.3	0	0	0	0	111.8	C211 S212 Y213 L217 D218 I219 I489	C211-T215 PolarHBondContact SG-OG1 2.78Å; S212-T215 WeakPolarHBondContact O-CB 3.26Å; S212-T215 PolarHBondContact O-N 3.5Å; S212-T215 PolarHBondContact O-OG1 2.58Å; Y213-T215 VanDerWaalsContact C-N 3.28Å; Y213-T215 PolarHBondContact O-N 3.23Å; T215-L217 VanDerWaalsContact C-N 3.29Å; T215-L217 PolarHBondContact O-N 3.13Å; T215-D218 PolarHBondContact O-N 3.06Å; T215-I219 PolarHBondContact O-N 3.01Å; T215-I489 HydrophobicContact CG2-CD1 3.71Å
216	Q	54.6	Low	57.6	Low	15 Å²	15	74.5 Å²	74.5	7%	0.07	39%	0.392	C	S	.	.	H	α-helix	trans	-64.9	-31.8	-179.2	-68	-173.6	-23.7	0	0	113.3	F207 N208 C211 Y213 D218 I219	F207-Q216 HydrophobicContact CD1-CB 4.39Å; N208-Q216 PolarHBondContact O-NE2 3.47Å; C211-Q216 HydrophobicContact CB-CG 4.15Å; Y213-Q216 PolarHBondContact O-N 2.89Å; Q216-D218 PolarHBondContact O-N 2.99Å; Q216-I219 HydrophobicContact CB-CD1 4.5Å; Q216-I219 HydrophobicContact CG-CD1 4.2Å; Q216-I219 PolarHBondContact O-N 3.14Å
217	L	64.2	Low	60.3	Low	12 Å²	12	68.7 Å²	68.7	6%	0.063	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.7	171.9	-66	170.4	0	0	0	112.8	Y213 T215 P587 L589 L613	Y213-L217 WeakPolarHBondContact O-CG 3.47Å; Y213-L217 PolarHBondContact O-N 3.15Å; T215-L217 VanDerWaalsContact C-N 3.29Å; T215-L217 PolarHBondContact O-N 3.13Å; L217-P587 WeakPolarHBondContact O-CB 3.29Å; L217-L589 HydrophobicContact CD2-CB 4.37Å; L217-L589 HydrophobicContact CD2-CD2 3.36Å; L217-L589 HydrophobicContact CD2-CG 4.49Å; L217-L613 HydrophobicContact CD1-CD1 3.45Å; L217-L613 VanDerWaalsContact CD1-CD1 3.45Å; L217-L613 HydrophobicContact CD2-CD1 4.21Å; L217-L613 HydrophobicContact CG-CD1 4.5Å
218	D	63.3	Low	63	Low	20 Å²	20	64.5 Å²	64.5	11%	0.107	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-2.8	-174	-67	-60.3	0	0	0	113.4	T215 Q216 I489 R493 R496	T215-D218 PolarHBondContact O-N 3.06Å; Q216-D218 PolarHBondContact O-N 2.99Å; D218-I489 HydrophobicContact CB-CG2 4.14Å; D218-R493 VanDerWaalsContact OD1-CB 3.24Å; D218-R493 WeakPolarHBondContact OD1-CB 3.49Å; D218-R493 WeakPolarHBondContact OD1-CD 3.47Å; D218-R493 VanDerWaalsContact OD1-CG 3.23Å; D218-R493 WeakPolarHBondContact OD1-CG 3.26Å; D218-R493 WeakPolarHBondContact OD2-CD 3.34Å; D218-R493 IonicContact OD2-NH1 3.75Å; D218-R493 PolarHBondContact OD2-NH1 3.04Å; D218-R496 IonicContact OD1-NH1 4Å
219	I	64.9	Low	65.8	Low	105 Å²	105	61.2 Å²	61.2	54%	0.538	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-50.9	173	-65.3	176.3	0	0	0	110.4	T215 Q216 I221	T215-I219 PolarHBondContact O-N 3.01Å; Q216-I219 HydrophobicContact CB-CD1 4.5Å; Q216-I219 HydrophobicContact CG-CD1 4.2Å; Q216-I219 PolarHBondContact O-N 3.14Å; I219-I221 PolarHBondContact O-N 3.06Å
220	F	77.1	Confident	68.2	Low	106 Å²	106	58.4 Å²	58.4	47%	0.465	31%	0.308	S	S	.	.	S	Bend	trans	-92.1	84.2	-176.9	-63.8	-74.9	0	0	0	110.5	I205 S588	I205-F220 HydrophobicContact CG2-CD2 4.38Å; I205-F220 HydrophobicContact CG2-CE2 4.14Å; F220-S588 WeakPolarHBondContact CB-OG 3.37Å; F220-S588 WeakPolarHBondContact O-CB 3.41Å; F220-S588 PolarHBondContact O-N 3.25Å; F220-S588 PolarHBondContact O-OG 2.95Å
221	I	80.1	Confident	70.8	Confident	35 Å²	35	51.3 Å²	51.3	18%	0.179	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	144.5	171.9	55.9	179.9	0	0	0	111.6	I219 R582 Q585 I586	I219-I221 PolarHBondContact O-N 3.06Å; I221-R582 HydrophobicContact CD1-CB 4.03Å; I221-R582 HydrophobicContact CD1-CG 3.65Å; I221-Q585 HydrophobicContact CB-CB 4.2Å; I221-I586 WeakPolarHBondContact CA-O 3.45Å
222	A	80.4	Confident	73.6	Confident	28 Å²	28	48.8 Å²	48.8	23%	0.231	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	159.9	179.9	0	0	0	0	0	111	Q585 I586 L591	A222-Q585 WeakPolarHBondContact O-CA 3.27Å; A222-Q585 WeakPolarHBondContact O-CB 3.47Å; A222-I586 PolarHBondContact N-O 3.3Å; A222-I586 PolarHBondContact O-N 2.94Å; A222-L591 HydrophobicContact CB-CD2 3.7Å
223	E	81.2	Confident	75.5	Confident	105 Å²	105	47.5 Å²	47.5	49%	0.491	23%	0.234	S	C	.	.			trans	-71.2	152	170.8	-57	-132.9	127.2	0	0	110.9	N225 Q585 L591	E223-N225 PolarHBondContact O-N 3.4Å; E223-N225 VanDerWaalsContact O-N 3.14Å; E223-N225 PolarHBondContact O-OD1 2.86Å; E223-Q585 HydrophobicContact CG-CG 4.2Å; E223-Q585 PolarHBondContact OE1-NE2 2.79Å; E223-L591 WeakPolarHBondContact O-CD2 3.28Å
224	P	82.5	Confident	77.3	Confident	34 Å²	34	49.5 Å²	49.5	22%	0.221	24%	0.241	C	C	.	.			trans	-65.5	110	174.3	23.3	-31.8	0	0	0	112	L228 Y229 I586	P224-L228 HydrophobicContact CB-CD2 4.42Å; P224-Y229 HydrophobicContact CB-CE1 4.35Å; P224-Y229 HydrophobicContact CB-CE2 3.86Å; P224-Y229 HydrophobicContact CG-CE2 4.14Å; P224-Y229 WeakPolarHBondContact CG-OH 3.43Å; P224-I586 HydrophobicContact CB-CD1 3.73Å; P224-I586 HydrophobicContact CG-CD1 4.43Å
225	N	85	Confident	78.9	Confident	78 Å²	78	50.7 Å²	50.7	42%	0.417	24%	0.242	S	C	.	.			trans	-69.4	160.4	172.9	-64	-3.3	0	0	0	112.2	E223 D227 L228 L591	E223-N225 PolarHBondContact O-N 3.4Å; E223-N225 VanDerWaalsContact O-N 3.14Å; E223-N225 PolarHBondContact O-OD1 2.86Å; N225-D227 PolarHBondContact O-N 3.08Å; N225-L228 WeakPolarHBondContact O-CB 3.48Å; N225-L228 PolarHBondContact O-N 2.78Å; N225-L591 HydrophobicContact CB-CD1 4.02Å
226	Q	85.7	Confident	80.5	Confident	109 Å²	109	49.9 Å²	49.9	51%	0.509	24%	0.237	S	C	.	.	H	α-helix	trans	-53.5	-37.5	175	-174.8	61.9	14.8	0	0	113	L228 Y229 E230	Q226-L228 VanDerWaalsContact C-N 3.28Å; Q226-L228 PolarHBondContact O-N 3.32Å; Q226-Y229 PolarHBondContact O-N 3.2Å; Q226-Y229 VanDerWaalsContact O-N 3.13Å; Q226-E230 PolarHBondContact O-N 3.04Å
227	D	85.6	Confident	82	Confident	59 Å²	59	51 Å²	51	32%	0.316	25%	0.247	S	C	.	.	H	α-helix	trans	-56.2	-39.9	176.6	-59.7	-10.3	0	0	0	113	N225 Y229 E230 F231 T595 L598	N225-D227 PolarHBondContact O-N 3.08Å; D227-Y229 VanDerWaalsContact C-N 3.33Å; D227-E230 PolarHBondContact O-N 2.73Å; D227-F231 VanDerWaalsContact O-CB 3.29Å; D227-F231 WeakPolarHBondContact O-CB 3.21Å; D227-F231 PolarHBondContact O-N 2.88Å; D227-T595 WeakPolarHBondContact CB-OG1 3.4Å; D227-T595 WeakPolarHBondContact OD2-CG2 3.29Å; D227-T595 PolarHBondContact OD2-OG1 3.11Å; D227-L598 HydrophobicContact CB-CD2 3.89Å
228	L	88.4	Confident	83.1	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-66	-41.4	179.3	-179.7	152.8	0	0	0	110.4	P224 N225 Q226 R232 F239 I586 F590 L591 C594	P224-L228 HydrophobicContact CB-CD2 4.42Å; N225-L228 WeakPolarHBondContact O-CB 3.48Å; N225-L228 PolarHBondContact O-N 2.78Å; Q226-L228 VanDerWaalsContact C-N 3.28Å; Q226-L228 PolarHBondContact O-N 3.32Å; L228-R232 VanDerWaalsContact O-CB 3.26Å; L228-R232 WeakPolarHBondContact O-CB 3.38Å; L228-R232 PolarHBondContact O-N 2.88Å; L228-F239 HydrophobicContact CD2-CE2 4.32Å; L228-F239 HydrophobicContact CG-CE2 4.28Å; L228-I586 HydrophobicContact CD1-CD1 3.51Å; L228-I586 HydrophobicContact CD2-CD1 4.49Å; L228-F590 HydrophobicContact CD1-CD1 4.19Å; L228-F590 HydrophobicContact CD1-CE1 3.88Å; L228-L591 HydrophobicContact CB-CD1 3.92Å; L228-L591 HydrophobicContact CD1-CD1 3.81Å; L228-C594 HydrophobicContact CB-CB 4.3Å; L228-C594 HydrophobicContact CG-CB 4.39Å
229	Y	86.9	Confident	84.4	Confident	48 Å²	48	52.5 Å²	52.5	19%	0.188	25%	0.253	C	S	.	.	H	α-helix	trans	-68.6	-40.5	176.5	-66	-50.8	0	0	0	112	P224 Q226 D227 R232 R233 I504 Q508	P224-Y229 HydrophobicContact CB-CE1 4.35Å; P224-Y229 HydrophobicContact CB-CE2 3.86Å; P224-Y229 HydrophobicContact CG-CE2 4.14Å; P224-Y229 WeakPolarHBondContact CG-OH 3.43Å; Q226-Y229 PolarHBondContact O-N 3.2Å; Q226-Y229 VanDerWaalsContact O-N 3.13Å; D227-Y229 VanDerWaalsContact C-N 3.33Å; Y229-R232 PolarHBondContact O-N 2.89Å; Y229-R233 WeakPolarHBondContact O-CB 3.49Å; Y229-R233 PolarHBondContact O-N 2.88Å; Y229-I504 HydrophobicContact CD1-CD1 3.39Å; Y229-I504 HydrophobicContact CD1-CG1 4.04Å; Y229-I504 HydrophobicContact CE1-CD1 3.81Å; Y229-I504 HydrophobicContact CE1-CG1 3.92Å; Y229-I504 HydrophobicContact CE1-CG2 4.05Å; Y229-I504 HydrophobicContact CG-CD1 4.27Å; Y229-Q508 PolarHBondContact OH-NE2 2.94Å
230	E	86	Confident	85.6	Confident	22 Å²	22	47.8 Å²	47.8	10%	0.103	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-39.9	174.1	-79.2	-65.5	117.9	0	0	112.5	Q226 D227 R233 R234 L598	Q226-E230 PolarHBondContact O-N 3.04Å; D227-E230 PolarHBondContact O-N 2.73Å; E230-R233 PolarHBondContact O-N 2.86Å; E230-R233 WeakPolarHBondContact OE1-CD 3.35Å; E230-R233 IonicContact OE1-CZ 3.05Å; E230-R233 IonicContact OE1-NE 3.98Å; E230-R233 IonicContact OE1-NH1 3.21Å; E230-R233 PolarHBondContact OE1-NH1 3.13Å; E230-R233 IonicContact OE2-NH1 2.89Å; E230-R234 WeakPolarHBondContact O-CB 3.47Å; E230-R234 WeakPolarHBondContact O-CG 3.34Å; E230-R234 PolarHBondContact O-N 2.81Å; E230-R234 IonicContact OE2-CZ 3.18Å; E230-R234 IonicContact OE2-NE 2.76Å; E230-R234 PolarHBondContact OE2-NE 3.24Å; E230-R234 IonicContact OE2-NH2 2.75Å; E230-R234 PolarHBondContact OE2-NH2 2.83Å; E230-L598 HydrophobicContact CB-CD2 4.17Å
231	F	88.7	Confident	86	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-47	174.2	-177.4	-127.2	0	0	0	111.6	D227 R233 Y235 Q238 F239 L242 C594 N597 L598 H601 L609	D227-F231 VanDerWaalsContact O-CB 3.29Å; D227-F231 WeakPolarHBondContact O-CB 3.21Å; D227-F231 PolarHBondContact O-N 2.88Å; F231-R233 VanDerWaalsContact C-N 3.31Å; F231-R233 PolarHBondContact O-N 2.82Å; F231-Y235 AromaticContact CD2-CD2 3.86Å; F231-Y235 HydrophobicContact CD2-CD2 3.86Å; F231-Y235 HydrophobicContact CD2-CG 4.33Å; F231-Y235 HydrophobicContact CE2-CD2 4.25Å; F231-Y235 HydrophobicContact CE2-CG 4.32Å; F231-Y235 CarbonylContact O-C 3.5Å; F231-Y235 WeakPolarHBondContact O-CA 3.42Å; F231-Y235 PolarHBondContact O-N 3.41Å; F231-Q238 HydrophobicContact CE2-CB 4.14Å; F231-Q238 HydrophobicContact CZ-CB 3.87Å; F231-F239 HydrophobicContact CD1-CB 4.19Å; F231-F239 AromaticContact CD1-CD2 3.8Å; F231-F239 HydrophobicContact CD1-CD2 3.8Å; F231-F239 HydrophobicContact CE1-CB 4.02Å; F231-F239 HydrophobicContact CE1-CD2 4.11Å; F231-L242 HydrophobicContact CE1-CD2 4.11Å; F231-C594 HydrophobicContact CD1-CB 4.13Å; F231-N597 HydrophobicContact CD2-CB 4.35Å; F231-N597 HydrophobicContact CE1-CB 4.01Å; F231-N597 HydrophobicContact CE2-CB 3.71Å; F231-N597 HydrophobicContact CZ-CB 3.53Å; F231-L598 HydrophobicContact CB-CB 4.19Å; F231-L598 HydrophobicContact CB-CD1 4.24Å; F231-L598 HydrophobicContact CD2-CB 4.42Å; F231-H601 AromaticContact CE2-CD2 3.83Å; F231-L609 HydrophobicContact CZ-CD1 4.31Å
232	R	89.3	Confident	86.4	Confident	8 Å²	8	42.9 Å²	42.9	3%	0.03	21%	0.213	C	C	.	.	H	α-helix	trans	-58.8	-39.8	173.7	173.5	179.2	158.6	159.8	1.4	112.4	L228 Y229 F239 L264 D267 L500 C502 I504	L228-R232 VanDerWaalsContact O-CB 3.26Å; L228-R232 WeakPolarHBondContact O-CB 3.38Å; L228-R232 PolarHBondContact O-N 2.88Å; Y229-R232 PolarHBondContact O-N 2.89Å; R232-F239 HydrophobicContact CB-CD1 3.98Å; R232-F239 HydrophobicContact CB-CD2 3.98Å; R232-F239 HydrophobicContact CB-CE1 4.13Å; R232-F239 HydrophobicContact CB-CE2 4.13Å; R232-F239 HydrophobicContact CB-CG 3.9Å; R232-F239 HydrophobicContact CB-CZ 4.21Å; R232-F239 HydrophobicContact CG-CD1 3.84Å; R232-F239 HydrophobicContact CG-CE1 3.87Å; R232-F239 HydrophobicContact CG-CG 4.27Å; R232-F239 HydrophobicContact CG-CZ 4.33Å; R232-L264 HydrophobicContact CG-CD2 4.28Å; R232-D267 IonicContact CZ-OD2 3.94Å; R232-D267 IonicContact NE-OD2 3.33Å; R232-D267 IonicContact NH2-OD2 3.27Å; R232-D267 PolarHBondContact NH2-OD2 2.74Å; R232-L500 PolarHBondContact NH1-O 2.7Å; R232-C502 PolarHBondContact NH1-O 3.4Å; R232-C502 PolarHBondContact NH2-O 3.31Å; R232-I504 VanDerWaalsContact CZ-CG1 3.45Å
233	R	87.2	Confident	86.8	Confident	56 Å²	56	41.5 Å²	41.5	21%	0.211	20%	0.202	C	C	.	.	H	α-helix	trans	-73.3	-45	-177.5	-178.3	-172.5	-178.2	-160.5	1.6	112.7	Y229 E230 F231 A268	Y229-R233 WeakPolarHBondContact O-CB 3.49Å; Y229-R233 PolarHBondContact O-N 2.88Å; E230-R233 PolarHBondContact O-N 2.86Å; E230-R233 WeakPolarHBondContact OE1-CD 3.35Å; E230-R233 IonicContact OE1-CZ 3.05Å; E230-R233 IonicContact OE1-NE 3.98Å; E230-R233 IonicContact OE1-NH1 3.21Å; E230-R233 PolarHBondContact OE1-NH1 3.13Å; E230-R233 IonicContact OE2-NH1 2.89Å; F231-R233 VanDerWaalsContact C-N 3.31Å; F231-R233 PolarHBondContact O-N 2.82Å; R233-A268 HydrophobicContact CB-CB 4.4Å; R233-A268 HydrophobicContact CG-CB 3.95Å
234	R	85.5	Confident	87	Confident	136 Å²	136	37.7 Å²	37.7	51%	0.513	19%	0.185	S	C	.	.	H	α-helix	trans	-84.4	-36.1	-176.5	-64	-177.2	-165.8	-157.9	5.7	113	E230 P236	E230-R234 WeakPolarHBondContact O-CB 3.47Å; E230-R234 WeakPolarHBondContact O-CG 3.34Å; E230-R234 PolarHBondContact O-N 2.81Å; E230-R234 IonicContact OE2-CZ 3.18Å; E230-R234 IonicContact OE2-NE 2.76Å; E230-R234 PolarHBondContact OE2-NE 3.24Å; E230-R234 IonicContact OE2-NH2 2.75Å; E230-R234 PolarHBondContact OE2-NH2 2.83Å; R234-P236 VanDerWaalsContact C-CD 3.43Å; R234-P236 WeakPolarHBondContact O-CD 3.48Å
235	Y	86.9	Confident	87.1	Confident	54 Å²	54	38.3 Å²	38.3	21%	0.212	19%	0.187	C	C	.	.			trans	-128.6	57	-171.3	-53.5	-79	0	0	0	111.9	F231 S237 Q238 F239 L598 H601	F231-Y235 AromaticContact CD2-CD2 3.86Å; F231-Y235 HydrophobicContact CD2-CD2 3.86Å; F231-Y235 HydrophobicContact CD2-CG 4.33Å; F231-Y235 HydrophobicContact CE2-CD2 4.25Å; F231-Y235 HydrophobicContact CE2-CG 4.32Å; F231-Y235 CarbonylContact O-C 3.5Å; F231-Y235 WeakPolarHBondContact O-CA 3.42Å; F231-Y235 PolarHBondContact O-N 3.41Å; Y235-S237 PolarHBondContact O-N 2.95Å; Y235-S237 VanDerWaalsContact O-N 3.14Å; Y235-Q238 PolarHBondContact O-N 3.33Å; Y235-Q238 VanDerWaalsContact O-N 3.09Å; Y235-Q238 PolarHBondContact O-OE1 3.34Å; Y235-F239 WeakPolarHBondContact O-CB 3.46Å; Y235-F239 PolarHBondContact O-N 2.92Å; Y235-L598 HydrophobicContact CD2-CD1 4.49Å; Y235-L598 HydrophobicContact CE2-CD1 4.23Å; Y235-H601 HydrophobicContact CD1-CB 4.21Å; Y235-H601 HydrophobicContact CD2-CB 4.14Å; Y235-H601 HydrophobicContact CE1-CB 3.84Å; Y235-H601 HydrophobicContact CE2-CB 3.78Å; Y235-H601 HydrophobicContact CG-CB 4.34Å; Y235-H601 PolarHBondContact OH-O 3.07Å
236	P	88	Confident	87	Confident	16 Å²	16	34.7 Å²	34.7	10%	0.104	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-30.1	-173.8	24.6	-35	0	0	0	113.1	R234 L240 L264	R234-P236 VanDerWaalsContact C-CD 3.43Å; R234-P236 WeakPolarHBondContact O-CD 3.48Å; P236-L240 VanDerWaalsContact O-CB 3.25Å; P236-L240 WeakPolarHBondContact O-CB 3.43Å; P236-L240 PolarHBondContact O-N 3.35Å; P236-L264 HydrophobicContact CB-CB 3.93Å; P236-L264 HydrophobicContact CB-CD1 4.48Å
237	S	85.8	Confident	87	Confident	39 Å²	39	29.5 Å²	29.5	27%	0.273	14%	0.143	S	C	.	.	H	α-helix	trans	-65.2	-44.6	176.1	-59.1	0	0	0	0	112.7	Y235 A241 R261	Y235-S237 PolarHBondContact O-N 2.95Å; Y235-S237 VanDerWaalsContact O-N 3.14Å; S237-A241 WeakPolarHBondContact O-CB 3.45Å; S237-A241 PolarHBondContact O-N 2.85Å; S237-A241 VanDerWaalsContact O-N 3.1Å; S237-R261 PolarHBondContact OG-NE 3.38Å
238	Q	88	Confident	86.6	Confident	64 Å²	64	28.3 Å²	28.3	30%	0.299	14%	0.144	S	C	.	.	H	α-helix	trans	-77.7	-38	-178.6	-65	84.2	-13.4	0	0	110.8	F231 Y235 A241 L242 L609	F231-Q238 HydrophobicContact CE2-CB 4.14Å; F231-Q238 HydrophobicContact CZ-CB 3.87Å; Y235-Q238 PolarHBondContact O-N 3.33Å; Y235-Q238 VanDerWaalsContact O-N 3.09Å; Y235-Q238 PolarHBondContact O-OE1 3.34Å; Q238-A241 PolarHBondContact O-N 3.26Å; Q238-L242 PolarHBondContact O-N 3.36Å; Q238-L609 HydrophobicContact CB-CD1 4.12Å
239	F	89.8	Confident	86.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58	-50.2	170.1	179.2	-101.9	0	0	0	111.6	L228 F231 R232 Y235 A241 L242 V243 L264 L500 L501 F590	L228-F239 HydrophobicContact CD2-CE2 4.32Å; L228-F239 HydrophobicContact CG-CE2 4.28Å; F231-F239 HydrophobicContact CD1-CB 4.19Å; F231-F239 AromaticContact CD1-CD2 3.8Å; F231-F239 HydrophobicContact CD1-CD2 3.8Å; F231-F239 HydrophobicContact CE1-CB 4.02Å; F231-F239 HydrophobicContact CE1-CD2 4.11Å; R232-F239 HydrophobicContact CB-CD1 3.98Å; R232-F239 HydrophobicContact CB-CD2 3.98Å; R232-F239 HydrophobicContact CB-CE1 4.13Å; R232-F239 HydrophobicContact CB-CE2 4.13Å; R232-F239 HydrophobicContact CB-CG 3.9Å; R232-F239 HydrophobicContact CB-CZ 4.21Å; R232-F239 HydrophobicContact CG-CD1 3.84Å; R232-F239 HydrophobicContact CG-CE1 3.87Å; R232-F239 HydrophobicContact CG-CG 4.27Å; R232-F239 HydrophobicContact CG-CZ 4.33Å; Y235-F239 WeakPolarHBondContact O-CB 3.46Å; Y235-F239 PolarHBondContact O-N 2.92Å; F239-A241 VanDerWaalsContact C-N 3.31Å; F239-A241 PolarHBondContact O-N 3.2Å; F239-L242 WeakPolarHBondContact O-CB 3.29Å; F239-L242 PolarHBondContact O-N 3.19Å; F239-V243 HydrophobicContact CD1-CG2 4.31Å; F239-V243 HydrophobicContact CE1-CG2 3.89Å; F239-V243 HydrophobicContact CE2-CG2 4.32Å; F239-V243 HydrophobicContact CZ-CG2 3.89Å; F239-V243 WeakPolarHBondContact O-CG2 3.41Å; F239-V243 PolarHBondContact O-N 3.39Å; F239-L264 HydrophobicContact CD1-CD1 4.25Å; F239-L500 HydrophobicContact CZ-CB 4.09Å; F239-L501 HydrophobicContact CE1-CD2 4.27Å; F239-F590 HydrophobicContact CE2-CE1 4.12Å; F239-F590 AromaticContact CE2-CZ 3.88Å; F239-F590 HydrophobicContact CE2-CZ 3.88Å; F239-F590 HydrophobicContact CZ-CZ 4.34Å
240	L	89.2	Confident	86	Confident	5 Å²	5	29.5 Å²	29.5	3%	0.026	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-41.2	176.4	-178.9	59.1	0	0	0	111.7	P236 L242 V243 T244 L257 I260 R261 L264 L501	P236-L240 VanDerWaalsContact O-CB 3.25Å; P236-L240 WeakPolarHBondContact O-CB 3.43Å; P236-L240 PolarHBondContact O-N 3.35Å; L240-L242 VanDerWaalsContact C-N 3.31Å; L240-L242 PolarHBondContact O-N 3.44Å; L240-V243 PolarHBondContact O-N 3.19Å; L240-T244 HydrophobicContact CD1-CG2 4.28Å; L240-T244 VanDerWaalsContact O-CG2 3.31Å; L240-T244 WeakPolarHBondContact O-CG2 3.4Å; L240-T244 PolarHBondContact O-N 2.81Å; L240-T244 PolarHBondContact O-OG1 3.03Å; L240-L257 HydrophobicContact CD1-CD2 4.18Å; L240-L257 HydrophobicContact CD2-CB 4.2Å; L240-L257 HydrophobicContact CD2-CD2 3.94Å; L240-L257 VanDerWaalsContact CD2-O 3.23Å; L240-L257 WeakPolarHBondContact CD2-O 3.46Å; L240-L257 HydrophobicContact CG-CD2 4.03Å; L240-I260 HydrophobicContact CD1-CB 4.47Å; L240-I260 HydrophobicContact CD1-CG2 3.76Å; L240-I260 HydrophobicContact CD2-CB 4.24Å; L240-I260 HydrophobicContact CD2-CG2 4.14Å; L240-R261 HydrophobicContact CD2-CB 4.29Å; L240-L264 HydrophobicContact CB-CD1 4.46Å; L240-L501 HydrophobicContact CD1-CD1 4.24Å; L240-L501 HydrophobicContact CD1-CD2 3.79Å
241	A	87	Confident	85.8	Confident	38 Å²	38	32.4 Å²	32.4	31%	0.314	17%	0.17	S	C	.	.	H	α-helix	trans	-63.6	-32.7	174.4	0	0	0	0	0	113.1	S237 Q238 F239 T244 N245 L609	S237-A241 WeakPolarHBondContact O-CB 3.45Å; S237-A241 PolarHBondContact O-N 2.85Å; S237-A241 VanDerWaalsContact O-N 3.1Å; Q238-A241 PolarHBondContact O-N 3.26Å; F239-A241 VanDerWaalsContact C-N 3.31Å; F239-A241 PolarHBondContact O-N 3.2Å; A241-T244 WeakPolarHBondContact CA-OG1 3.42Å; A241-T244 PolarHBondContact O-OG1 3.26Å; A241-T244 VanDerWaalsContact O-OG1 3.07Å; A241-N245 PolarHBondContact O-N 3.5Å; A241-N245 PolarHBondContact O-ND2 3.27Å; A241-L609 HydrophobicContact CB-CD2 4.08Å
242	L	87.9	Confident	85.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.4	-46.2	173.7	-171.1	63.8	0	0	0	111	F231 Q238 F239 L240 T244 N245 Y246 F590 D593 L609 C610 C611	F231-L242 HydrophobicContact CE1-CD2 4.11Å; Q238-L242 PolarHBondContact O-N 3.36Å; F239-L242 WeakPolarHBondContact O-CB 3.29Å; F239-L242 PolarHBondContact O-N 3.19Å; L240-L242 VanDerWaalsContact C-N 3.31Å; L240-L242 PolarHBondContact O-N 3.44Å; L242-T244 PolarHBondContact O-N 3.35Å; L242-N245 PolarHBondContact O-N 3.32Å; L242-Y246 HydrophobicContact CD1-CD2 4.35Å; L242-Y246 HydrophobicContact CD1-CE2 4.07Å; L242-Y246 HydrophobicContact CG-CD2 4.49Å; L242-Y246 HydrophobicContact CG-CE2 4.46Å; L242-Y246 WeakPolarHBondContact O-CD2 3.46Å; L242-Y246 PolarHBondContact O-N 2.87Å; L242-F590 HydrophobicContact CB-CE2 4.39Å; L242-F590 HydrophobicContact CD2-CD2 4.37Å; L242-F590 HydrophobicContact CD2-CE2 3.97Å; L242-F590 HydrophobicContact CD2-CZ 4.29Å; L242-F590 HydrophobicContact CG-CD2 4.24Å; L242-F590 HydrophobicContact CG-CE2 3.78Å; L242-F590 HydrophobicContact CG-CZ 4.48Å; L242-D593 HydrophobicContact CD1-CB 4.24Å; L242-D593 HydrophobicContact CD2-CB 4.06Å; L242-L609 HydrophobicContact CB-CD1 4.35Å; L242-L609 HydrophobicContact CB-CD2 4.18Å; L242-L609 HydrophobicContact CD1-CD2 4.25Å; L242-L609 HydrophobicContact CD1-CG 4.44Å; L242-C610 WeakPolarHBondContact CD1-O 3.19Å; L242-C611 HydrophobicContact CD1-CB 3.85Å
243	V	87.9	Confident	85.6	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-44.5	177.1	178.6	0	0	0	0	111.3	F239 L240 N245 Y246 L247 L497 L501 F590	F239-V243 HydrophobicContact CD1-CG2 4.31Å; F239-V243 HydrophobicContact CE1-CG2 3.89Å; F239-V243 HydrophobicContact CE2-CG2 4.32Å; F239-V243 HydrophobicContact CZ-CG2 3.89Å; F239-V243 WeakPolarHBondContact O-CG2 3.41Å; F239-V243 PolarHBondContact O-N 3.39Å; L240-V243 PolarHBondContact O-N 3.19Å; V243-N245 VanDerWaalsContact C-N 3.32Å; V243-N245 PolarHBondContact O-N 3.47Å; V243-Y246 PolarHBondContact O-N 2.61Å; V243-L247 HydrophobicContact CG1-CD1 3.73Å; V243-L247 HydrophobicContact CG1-CG 4.25Å; V243-L247 WeakPolarHBondContact O-CB 3.43Å; V243-L247 WeakPolarHBondContact O-CG 3.36Å; V243-L247 PolarHBondContact O-N 2.88Å; V243-L497 HydrophobicContact CG1-CB 4.45Å; V243-L501 HydrophobicContact CB-CD2 4.27Å; V243-L501 HydrophobicContact CG1-CD1 4.1Å; V243-L501 HydrophobicContact CG1-CD2 4.06Å; V243-L501 HydrophobicContact CG1-CG 4.17Å; V243-L501 HydrophobicContact CG2-CD2 4.15Å; V243-F590 HydrophobicContact CG2-CE2 3.9Å; V243-F590 HydrophobicContact CG2-CZ 3.62Å
244	T	86.3	Confident	85.4	Confident	25 Å²	25	37 Å²	37	15%	0.153	21%	0.207	C	C	.	.	H	α-helix	trans	-66.1	-31.9	179.3	57.5	0	0	0	0	113	L240 A241 L242 L247 G248 F252 L257	L240-T244 HydrophobicContact CD1-CG2 4.28Å; L240-T244 VanDerWaalsContact O-CG2 3.31Å; L240-T244 WeakPolarHBondContact O-CG2 3.4Å; L240-T244 PolarHBondContact O-N 2.81Å; L240-T244 PolarHBondContact O-OG1 3.03Å; A241-T244 WeakPolarHBondContact CA-OG1 3.42Å; A241-T244 PolarHBondContact O-OG1 3.26Å; A241-T244 VanDerWaalsContact O-OG1 3.07Å; L242-T244 PolarHBondContact O-N 3.35Å; T244-L247 CarbonylContact O-C 3.21Å; T244-L247 PolarHBondContact O-N 2.95Å; T244-G248 WeakPolarHBondContact O-CA 3.38Å; T244-G248 PolarHBondContact O-N 3.25Å; T244-F252 HydrophobicContact CG2-CD1 3.94Å; T244-F252 HydrophobicContact CG2-CD2 3.97Å; T244-F252 HydrophobicContact CG2-CE1 3.81Å; T244-F252 HydrophobicContact CG2-CE2 3.87Å; T244-F252 HydrophobicContact CG2-CG 4.03Å; T244-F252 HydrophobicContact CG2-CZ 3.8Å; T244-L257 HydrophobicContact CG2-CD2 3.6Å
245	N	84.2	Confident	85.5	Confident	47 Å²	47	35.7 Å²	35.7	25%	0.251	21%	0.21	S	C	.	.	H	α-helix	trans	-64.7	-43.1	172	-80.2	-64.1	0	0	0	111.7	A241 L242 V243 L247 G248 L613	A241-N245 PolarHBondContact O-N 3.5Å; A241-N245 PolarHBondContact O-ND2 3.27Å; L242-N245 PolarHBondContact O-N 3.32Å; V243-N245 VanDerWaalsContact C-N 3.32Å; V243-N245 PolarHBondContact O-N 3.47Å; N245-L247 VanDerWaalsContact C-N 3.29Å; N245-L247 PolarHBondContact O-N 3.19Å; N245-G248 PolarHBondContact O-N 3.45Å; N245-L613 WeakPolarHBondContact O-CD2 3.21Å
246	Y	83.7	Confident	85.4	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-69.5	-26.2	174.8	-84.9	-102.9	0	0	0	113.6	L242 V243 L497 L589 F590 D593 L613	L242-Y246 HydrophobicContact CD1-CD2 4.35Å; L242-Y246 HydrophobicContact CD1-CE2 4.07Å; L242-Y246 HydrophobicContact CG-CD2 4.49Å; L242-Y246 HydrophobicContact CG-CE2 4.46Å; L242-Y246 WeakPolarHBondContact O-CD2 3.46Å; L242-Y246 PolarHBondContact O-N 2.87Å; V243-Y246 PolarHBondContact O-N 2.61Å; Y246-L497 HydrophobicContact CG-CD1 4.5Å; Y246-L589 WeakPolarHBondContact OH-CG 3.33Å; Y246-L589 PolarHBondContact OH-O 3.24Å; Y246-F590 HydrophobicContact CD1-CB 4.3Å; Y246-F590 HydrophobicContact CD1-CD2 4.18Å; Y246-F590 AromaticContact CD2-CD2 3.63Å; Y246-F590 HydrophobicContact CD2-CD2 3.63Å; Y246-F590 HydrophobicContact CD2-CE2 4.25Å; Y246-F590 HydrophobicContact CE1-CB 3.9Å; Y246-F590 HydrophobicContact CE1-CD2 4.36Å; Y246-F590 HydrophobicContact CE2-CB 4.44Å; Y246-F590 AromaticContact CE2-CD2 3.82Å; Y246-F590 HydrophobicContact CE2-CD2 3.82Å; Y246-F590 AromaticContact CG-CD2 3.81Å; Y246-F590 HydrophobicContact CG-CD2 3.81Å; Y246-F590 PolarHBondContact OH-N 3.42Å; Y246-D593 WeakPolarHBondContact CE2-OD2 3.49Å; Y246-D593 PolarHBondContact OH-OD2 3.14Å; Y246-L613 HydrophobicContact CD1-CD1 4.24Å; Y246-L613 HydrophobicContact CD1-CD2 4.39Å; Y246-L613 HydrophobicContact CD2-CB 4.5Å; Y246-L613 HydrophobicContact CD2-CD2 4.48Å; Y246-L613 HydrophobicContact CE1-CB 4.36Å; Y246-L613 HydrophobicContact CE1-CD1 4.13Å; Y246-L613 HydrophobicContact CE2-CB 4.15Å; Y246-L613 HydrophobicContact CG-CD2 4.23Å
247	L	84.7	Confident	85.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	27.8	174.4	-60.6	-177.1	0	0	0	113.1	V243 T244 N245 F249 L250 F252 A494 L497 L498	V243-L247 HydrophobicContact CG1-CD1 3.73Å; V243-L247 HydrophobicContact CG1-CG 4.25Å; V243-L247 WeakPolarHBondContact O-CB 3.43Å; V243-L247 WeakPolarHBondContact O-CG 3.36Å; V243-L247 PolarHBondContact O-N 2.88Å; T244-L247 CarbonylContact O-C 3.21Å; T244-L247 PolarHBondContact O-N 2.95Å; N245-L247 VanDerWaalsContact C-N 3.29Å; N245-L247 PolarHBondContact O-N 3.19Å; L247-F249 HydrophobicContact CD2-CE1 4.03Å; L247-F249 HydrophobicContact CD2-CZ 3.68Å; L247-F249 PolarHBondContact O-N 3.33Å; L247-L250 HydrophobicContact CB-CD1 4.32Å; L247-L250 HydrophobicContact CD1-CD1 4.28Å; L247-L250 PolarHBondContact O-N 3.42Å; L247-F252 HydrophobicContact CB-CE2 3.98Å; L247-F252 HydrophobicContact CB-CZ 4Å; L247-F252 HydrophobicContact CD1-CZ 4.1Å; L247-A494 HydrophobicContact CD2-CB 4.14Å; L247-L497 HydrophobicContact CD1-CB 4.1Å; L247-L497 HydrophobicContact CD2-CB 4.05Å; L247-L497 HydrophobicContact CD2-CD1 3.78Å; L247-L497 HydrophobicContact CG-CB 4.23Å; L247-L497 HydrophobicContact CG-CD1 4.12Å; L247-L498 HydrophobicContact CD1-CD2 3.9Å; L247-L498 HydrophobicContact CD1-CG 4.04Å
248	G	77.3	Confident	85.4	Confident	33 Å²	33	36.5 Å²	36.5	34%	0.34	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	0.3	-176.7	0	0	0	0	0	116.6	T244 N245	T244-G248 WeakPolarHBondContact O-CA 3.38Å; T244-G248 PolarHBondContact O-N 3.25Å; N245-G248 PolarHBondContact O-N 3.45Å
249	F	78.7	Confident	85.4	Confident	65 Å²	65	37.7 Å²	37.7	29%	0.285	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-10.4	169.1	56.5	-87.3	0	0	0	113.2	L247 I484 A494	L247-F249 HydrophobicContact CD2-CE1 4.03Å; L247-F249 HydrophobicContact CD2-CZ 3.68Å; L247-F249 PolarHBondContact O-N 3.33Å; F249-I484 HydrophobicContact CD2-CD1 3.8Å; F249-I484 HydrophobicContact CD2-CG1 4.26Å; F249-I484 HydrophobicContact CE2-CD1 3.63Å; F249-A494 HydrophobicContact CE2-CB 3.9Å; F249-A494 HydrophobicContact CZ-CB 3.78Å
250	L	83.4	Confident	85.3	Confident	9 Å²	9	37.8 Å²	37.8	5%	0.047	22%	0.219	C	C	.	.	S	Bend	trans	-97	147.5	171.7	-58.4	-177.2	0	0	0	110.4	L247 F252 Q479 L480 I484 L498	L247-L250 HydrophobicContact CB-CD1 4.32Å; L247-L250 HydrophobicContact CD1-CD1 4.28Å; L247-L250 PolarHBondContact O-N 3.42Å; L250-F252 HydrophobicContact CB-CE2 3.98Å; L250-Q479 HydrophobicContact CD2-CB 4.09Å; L250-L480 HydrophobicContact CD1-CD2 4.14Å; L250-L480 HydrophobicContact CD2-CD2 4.07Å; L250-I484 HydrophobicContact CD2-CD1 4.48Å; L250-L498 HydrophobicContact CD1-CD1 4.19Å; L250-L498 HydrophobicContact CD1-CD2 4.43Å
251	V	83.2	Confident	85.2	Confident	84 Å²	84	42.1 Å²	42.1	51%	0.509	24%	0.235	S	C	.	.			trans	-103.6	102.4	-177.4	-178.2	0	0	0	0	109.1	R475 Q479	V251-R475 PolarHBondContact O-NH2 3.22Å; V251-Q479 PolarHBondContact O-NE2 2.9Å
252	F	86	Confident	85.2	Confident	24 Å²	24	45.2 Å²	45.2	11%	0.105	24%	0.243	C	C	.	.			trans	-84.1	139.7	173.8	-61.9	-102.4	0	0	0	110.7	T244 L247 L250 L257 L476	T244-F252 HydrophobicContact CG2-CD1 3.94Å; T244-F252 HydrophobicContact CG2-CD2 3.97Å; T244-F252 HydrophobicContact CG2-CE1 3.81Å; T244-F252 HydrophobicContact CG2-CE2 3.87Å; T244-F252 HydrophobicContact CG2-CG 4.03Å; T244-F252 HydrophobicContact CG2-CZ 3.8Å; L247-F252 HydrophobicContact CB-CE2 3.98Å; L247-F252 HydrophobicContact CB-CZ 4Å; L247-F252 HydrophobicContact CD1-CZ 4.1Å; L250-F252 HydrophobicContact CB-CE2 3.98Å; F252-L257 HydrophobicContact CB-CD1 4.33Å; F252-L257 HydrophobicContact CB-CD2 3.93Å; F252-L257 HydrophobicContact CB-CG 4.07Å; F252-L257 HydrophobicContact CD1-CD2 3.71Å; F252-L257 HydrophobicContact CG-CD2 4.03Å; F252-L476 HydrophobicContact CD1-CD1 3.68Å; F252-L476 HydrophobicContact CD1-CD2 3.87Å; F252-L476 HydrophobicContact CD1-CG 4.43Å; F252-L476 HydrophobicContact CE1-CD1 3.34Å; F252-L476 HydrophobicContact CE1-CD2 4.02Å; F252-L476 HydrophobicContact CE1-CG 4.33Å; F252-L476 HydrophobicContact CG-CD2 4.13Å; F252-L476 HydrophobicContact CZ-CD1 4.12Å; F252-L476 HydrophobicContact CZ-CD2 4.38Å
253	T	86.7	Confident	85	Confident	54 Å²	54	47 Å²	47	33%	0.331	25%	0.253	S	S	.	.			trans	-88.3	162.1	165.5	65.8	0	0	0	0	111.2	D255 E256 L257	T253-D255 VanDerWaalsContact C-N 3.35Å; T253-E256 PolarHBondContact N-OE2 3.06Å; T253-E256 PolarHBondContact O-N 3.42Å; T253-E256 WeakPolarHBondContact OG1-CB 3.36Å; T253-E256 VanDerWaalsContact OG1-CG 3.25Å; T253-E256 WeakPolarHBondContact OG1-CG 3.42Å; T253-E256 PolarHBondContact OG1-N 2.9Å; T253-E256 PolarHBondContact OG1-OE2 2.94Å; T253-L257 WeakPolarHBondContact O-CG 3.39Å; T253-L257 PolarHBondContact O-N 3.47Å
254	S	83.9	Confident	85	Confident	81 Å²	81	47 Å²	47	57%	0.566	25%	0.253	S	S	*	.	H	α-helix	trans	-59.6	-48.1	174.6	-158.9	0	0	0	0	111	E256 L257 D258	S254-E256 PolarHBondContact O-N 3.07Å; S254-L257 WeakPolarHBondContact O-CB 3.3Å; S254-L257 PolarHBondContact O-N 2.96Å; S254-D258 PolarHBondContact O-N 2.9Å
255	D	86.1	Confident	85	Confident	110 Å²	110	48.2 Å²	48.2	59%	0.588	26%	0.26	S	S	*	.	H	α-helix	trans	-59.7	-34.7	-178.3	-43.6	-30.1	0	0	0	112.4	T253 Q259	T253-D255 VanDerWaalsContact C-N 3.35Å; D255-Q259 WeakPolarHBondContact O-CB 3.33Å; D255-Q259 WeakPolarHBondContact O-CG 3.14Å; D255-Q259 PolarHBondContact O-N 3.29Å; D255-Q259 PolarHBondContact O-NE2 3.09Å
256	E	86.5	Confident	85	Confident	15 Å²	15	51.7 Å²	51.7	7%	0.07	27%	0.273	C	S	.	.	H	α-helix	trans	-67.8	-44.2	173.4	-77.9	168.7	169.7	0	0	111.8	T253 S254 D258 Q259 I260 P472 R475	T253-E256 PolarHBondContact N-OE2 3.06Å; T253-E256 PolarHBondContact O-N 3.42Å; T253-E256 WeakPolarHBondContact OG1-CB 3.36Å; T253-E256 VanDerWaalsContact OG1-CG 3.25Å; T253-E256 WeakPolarHBondContact OG1-CG 3.42Å; T253-E256 PolarHBondContact OG1-N 2.9Å; T253-E256 PolarHBondContact OG1-OE2 2.94Å; S254-E256 PolarHBondContact O-N 3.07Å; E256-D258 VanDerWaalsContact C-N 3.31Å; E256-D258 PolarHBondContact O-N 2.73Å; E256-Q259 PolarHBondContact O-N 2.97Å; E256-I260 HydrophobicContact CB-CD1 4.39Å; E256-I260 WeakPolarHBondContact O-CB 3.49Å; E256-I260 VanDerWaalsContact O-CD1 3.31Å; E256-I260 WeakPolarHBondContact O-CD1 3.4Å; E256-I260 WeakPolarHBondContact O-CG1 3.5Å; E256-I260 PolarHBondContact O-N 3.38Å; E256-P472 HydrophobicContact CG-CB 4.44Å; E256-R475 IonicContact OE1-CZ 2.68Å; E256-R475 VanDerWaalsContact OE1-CZ 3.27Å; E256-R475 IonicContact OE1-NE 2.7Å; E256-R475 PolarHBondContact OE1-NE 2.94Å; E256-R475 IonicContact OE1-NH2 2.82Å; E256-R475 PolarHBondContact OE1-NH2 3.18Å; E256-R475 IonicContact OE2-CZ 3.66Å; E256-R475 IonicContact OE2-NE 3.69Å; E256-R475 IonicContact OE2-NH2 3.18Å; E256-R475 PolarHBondContact OE2-NH2 3.2Å
257	L	87.4	Confident	85	Confident	30 Å²	30	51.9 Å²	51.9	16%	0.157	27%	0.274	C	S	.	.	H	α-helix	trans	-62.3	-40.9	179.8	-66.2	172.8	0	0	0	111.3	L240 T244 F252 T253 S254 R261 L653	L240-L257 HydrophobicContact CD1-CD2 4.18Å; L240-L257 HydrophobicContact CD2-CB 4.2Å; L240-L257 HydrophobicContact CD2-CD2 3.94Å; L240-L257 VanDerWaalsContact CD2-O 3.23Å; L240-L257 WeakPolarHBondContact CD2-O 3.46Å; L240-L257 HydrophobicContact CG-CD2 4.03Å; T244-L257 HydrophobicContact CG2-CD2 3.6Å; F252-L257 HydrophobicContact CB-CD1 4.33Å; F252-L257 HydrophobicContact CB-CD2 3.93Å; F252-L257 HydrophobicContact CB-CG 4.07Å; F252-L257 HydrophobicContact CD1-CD2 3.71Å; F252-L257 HydrophobicContact CG-CD2 4.03Å; T253-L257 WeakPolarHBondContact O-CG 3.39Å; T253-L257 PolarHBondContact O-N 3.47Å; S254-L257 WeakPolarHBondContact O-CB 3.3Å; S254-L257 PolarHBondContact O-N 2.96Å; L257-R261 VanDerWaalsContact O-CB 3.27Å; L257-R261 WeakPolarHBondContact O-CB 3.38Å; L257-R261 PolarHBondContact O-N 3.43Å; L257-L653 HydrophobicContact CD1-CD1 4.34Å
258	D	86.2	Confident	84.8	Confident	81 Å²	81	52.4 Å²	52.4	43%	0.433	28%	0.278	S	S	.	.	H	α-helix	trans	-68.9	-42.3	177.5	-68.3	-43.4	0	0	0	111.8	S254 E256 R261 E262	S254-D258 PolarHBondContact O-N 2.9Å; E256-D258 VanDerWaalsContact C-N 3.31Å; E256-D258 PolarHBondContact O-N 2.73Å; D258-R261 PolarHBondContact O-N 3.14Å; D258-R261 IonicContact OD1-NH1 3.96Å; D258-E262 PolarHBondContact O-N 3.25Å
259	Q	87.9	Confident	84.9	Confident	89 Å²	89	57 Å²	57	42%	0.416	29%	0.289	S	S	.	.	H	α-helix	trans	-65.6	-40.2	174.7	-72.8	168.9	63.4	0	0	112.8	D255 E256 E262 I263 P472	D255-Q259 WeakPolarHBondContact O-CB 3.33Å; D255-Q259 WeakPolarHBondContact O-CG 3.14Å; D255-Q259 PolarHBondContact O-N 3.29Å; D255-Q259 PolarHBondContact O-NE2 3.09Å; E256-Q259 PolarHBondContact O-N 2.97Å; Q259-E262 PolarHBondContact O-N 3.25Å; Q259-I263 WeakPolarHBondContact O-CG1 3.45Å; Q259-I263 PolarHBondContact O-N 3.44Å; Q259-P472 HydrophobicContact CB-CB 4.18Å; Q259-P472 HydrophobicContact CB-CG 3.54Å; Q259-P472 HydrophobicContact CG-CG 4.46Å
260	I	87.1	Confident	84.7	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-43.4	175.5	-66.4	160.6	0	0	0	109.9	L240 E256 E262 I263 L264 P472 L473 L476 L501	L240-I260 HydrophobicContact CD1-CB 4.47Å; L240-I260 HydrophobicContact CD1-CG2 3.76Å; L240-I260 HydrophobicContact CD2-CB 4.24Å; L240-I260 HydrophobicContact CD2-CG2 4.14Å; E256-I260 HydrophobicContact CB-CD1 4.39Å; E256-I260 WeakPolarHBondContact O-CB 3.49Å; E256-I260 VanDerWaalsContact O-CD1 3.31Å; E256-I260 WeakPolarHBondContact O-CD1 3.4Å; E256-I260 WeakPolarHBondContact O-CG1 3.5Å; E256-I260 PolarHBondContact O-N 3.38Å; I260-E262 VanDerWaalsContact C-N 3.3Å; I260-E262 PolarHBondContact O-N 3.1Å; I260-I263 PolarHBondContact O-N 3.04Å; I260-L264 HydrophobicContact CG2-CD1 4.07Å; I260-L264 HydrophobicContact CG2-CG 4.32Å; I260-L264 WeakPolarHBondContact O-CG 3.4Å; I260-L264 PolarHBondContact O-N 3.05Å; I260-P472 HydrophobicContact CD1-CB 4.25Å; I260-P472 HydrophobicContact CG1-CB 3.69Å; I260-P472 HydrophobicContact CG1-CG 4.5Å; I260-L473 HydrophobicContact CD1-CD2 3.56Å; I260-L473 HydrophobicContact CG1-CD2 3.81Å; I260-L473 HydrophobicContact CG1-CG 4.47Å; I260-L476 HydrophobicContact CD1-CD1 4.24Å; I260-L501 HydrophobicContact CG2-CB 4.25Å; I260-L501 HydrophobicContact CG2-CD1 4.41Å; I260-L501 HydrophobicContact CG2-CD2 4.18Å
261	R	86.5	Confident	83.9	Confident	96 Å²	96	59.3 Å²	59.3	36%	0.362	30%	0.302	S	S	.	.	H	α-helix	trans	-58.4	-41.5	174.4	179	-174.8	-71.2	169.1	-7.6	111.6	S237 L240 L257 D258 L264 T265	S237-R261 PolarHBondContact OG-NE 3.38Å; L240-R261 HydrophobicContact CD2-CB 4.29Å; L257-R261 VanDerWaalsContact O-CB 3.27Å; L257-R261 WeakPolarHBondContact O-CB 3.38Å; L257-R261 PolarHBondContact O-N 3.43Å; D258-R261 PolarHBondContact O-N 3.14Å; D258-R261 IonicContact OD1-NH1 3.96Å; R261-L264 PolarHBondContact O-N 3.41Å; R261-T265 WeakPolarHBondContact O-CB 3.34Å; R261-T265 PolarHBondContact O-N 2.87Å; R261-T265 PolarHBondContact O-OG1 2.98Å
262	E	87	Confident	82.7	Confident	103 Å²	103	59.5 Å²	59.5	48%	0.481	30%	0.297	S	S	.	.	H	α-helix	trans	-63.5	-43.6	176.3	-160.8	-164.3	156.8	0	0	111.9	D258 Q259 I260 T265 K266	D258-E262 PolarHBondContact O-N 3.25Å; Q259-E262 PolarHBondContact O-N 3.25Å; I260-E262 VanDerWaalsContact C-N 3.3Å; I260-E262 PolarHBondContact O-N 3.1Å; E262-T265 PolarHBondContact O-N 3.43Å; E262-K266 HydrophobicContact CG-CD 4.45Å; E262-K266 WeakPolarHBondContact O-CG 3.48Å; E262-K266 PolarHBondContact O-N 3.4Å; E262-K266 WeakPolarHBondContact OE1-CE 3.43Å; E262-K266 IonicContact OE1-NZ 3.32Å; E262-K266 PolarHBondContact OE1-NZ 2.98Å
263	I	85.4	Confident	81	Confident	38 Å²	38	62.8 Å²	62.8	20%	0.195	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-48.9	175.3	-68.5	161.1	0	0	0	110.9	Q259 I260 T265 K266 D267 P470 P472 P503	Q259-I263 WeakPolarHBondContact O-CG1 3.45Å; Q259-I263 PolarHBondContact O-N 3.44Å; I260-I263 PolarHBondContact O-N 3.04Å; I263-T265 VanDerWaalsContact C-N 3.28Å; I263-T265 PolarHBondContact O-N 3.32Å; I263-K266 PolarHBondContact O-N 3.21Å; I263-D267 WeakPolarHBondContact O-CB 3.2Å; I263-D267 PolarHBondContact O-N 3.38Å; I263-P470 HydrophobicContact CD1-CB 3.9Å; I263-P472 HydrophobicContact CD1-CG 3.9Å; I263-P503 HydrophobicContact CG2-CG 4.04Å
264	L	87.3	Confident	79.2	Confident	1 Å²	1	64 Å²	64	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-60.8	-38.2	177.5	-67.7	174.5	0	0	0	111.8	R232 P236 F239 L240 I260 R261 A268 L501	R232-L264 HydrophobicContact CG-CD2 4.28Å; P236-L264 HydrophobicContact CB-CB 3.93Å; P236-L264 HydrophobicContact CB-CD1 4.48Å; F239-L264 HydrophobicContact CD1-CD1 4.25Å; L240-L264 HydrophobicContact CB-CD1 4.46Å; I260-L264 HydrophobicContact CG2-CD1 4.07Å; I260-L264 HydrophobicContact CG2-CG 4.32Å; I260-L264 WeakPolarHBondContact O-CG 3.4Å; I260-L264 PolarHBondContact O-N 3.05Å; R261-L264 PolarHBondContact O-N 3.41Å; L264-A268 VanDerWaalsContact O-CB 3.27Å; L264-A268 WeakPolarHBondContact O-CB 3.32Å; L264-A268 PolarHBondContact O-N 3.2Å; L264-L501 HydrophobicContact CD1-CD2 4.39Å
265	T	85.6	Confident	76.9	Confident	49 Å²	49	64.5 Å²	64.5	30%	0.301	32%	0.318	S	S	.	.	H	α-helix	trans	-68.8	-35.2	177.4	-54.8	0	0	0	0	112.1	R261 E262 I263 K269	R261-T265 WeakPolarHBondContact O-CB 3.34Å; R261-T265 PolarHBondContact O-N 2.87Å; R261-T265 PolarHBondContact O-OG1 2.98Å; E262-T265 PolarHBondContact O-N 3.43Å; I263-T265 VanDerWaalsContact C-N 3.28Å; I263-T265 PolarHBondContact O-N 3.32Å; T265-K269 WeakPolarHBondContact O-CG 3.34Å; T265-K269 PolarHBondContact O-N 3.41Å
266	K	85.1	Confident	74.3	Confident	121 Å²	121	64.8 Å²	64.8	53%	0.526	32%	0.318	S	S	.	.	H	α-helix	trans	-69.8	-45	174.3	-76	168	169.2	169.6	0	111.9	E262 I263 K269 Q270	E262-K266 HydrophobicContact CG-CD 4.45Å; E262-K266 WeakPolarHBondContact O-CG 3.48Å; E262-K266 PolarHBondContact O-N 3.4Å; E262-K266 WeakPolarHBondContact OE1-CE 3.43Å; E262-K266 IonicContact OE1-NZ 3.32Å; E262-K266 PolarHBondContact OE1-NZ 2.98Å; I263-K266 PolarHBondContact O-N 3.21Å; K266-K269 WeakPolarHBondContact O-CB 3.47Å; K266-K269 PolarHBondContact O-N 3.24Å; K266-Q270 PolarHBondContact O-N 3.32Å
267	D	83.7	Confident	71.9	Confident	6 Å²	6	68.7 Å²	68.7	3%	0.032	34%	0.339	C	S	.	.	H	α-helix	trans	-60.9	-43.9	175.6	-174	56.4	0	0	0	111.4	R232 I263 K269 Q270 L271 P503 I504	R232-D267 IonicContact CZ-OD2 3.94Å; R232-D267 IonicContact NE-OD2 3.33Å; R232-D267 IonicContact NH2-OD2 3.27Å; R232-D267 PolarHBondContact NH2-OD2 2.74Å; I263-D267 WeakPolarHBondContact O-CB 3.2Å; I263-D267 PolarHBondContact O-N 3.38Å; D267-K269 VanDerWaalsContact C-N 3.32Å; D267-K269 PolarHBondContact O-N 3.47Å; D267-Q270 PolarHBondContact O-N 2.84Å; D267-L271 WeakPolarHBondContact O-CG 3.46Å; D267-L271 PolarHBondContact O-N 3.44Å; D267-P503 HydrophobicContact CB-CB 4.38Å; D267-P503 WeakPolarHBondContact OD1-CA 3.37Å; D267-P503 WeakPolarHBondContact OD1-CB 3.43Å; D267-I504 PolarHBondContact OD1-N 3.32Å; D267-I504 PolarHBondContact OD2-N 3.11Å; D267-I504 VanDerWaalsContact OD2-N 3.08Å
268	A	80.5	Confident	69.2	Low	10 Å²	10	70.5 Å²	70.5	8%	0.083	35%	0.354	C	S	.	.	H	α-helix	trans	-56.7	-42.5	174.3	0	0	0	0	0	112.8	R233 L264 Q272	R233-A268 HydrophobicContact CB-CB 4.4Å; R233-A268 HydrophobicContact CG-CB 3.95Å; L264-A268 VanDerWaalsContact O-CB 3.27Å; L264-A268 WeakPolarHBondContact O-CB 3.32Å; L264-A268 PolarHBondContact O-N 3.2Å; A268-Q272 WeakPolarHBondContact O-CG 3.48Å; A268-Q272 PolarHBondContact O-N 2.75Å
269	K	78.6	Confident	66.6	Low	131 Å²	131	70 Å²	70	57%	0.57	36%	0.357	S	S	*	.	H	α-helix	trans	-65.7	-46.7	175.9	-74.8	174.3	-180	-176.9	0	112.4	T265 K266 D267 L271 Q272 N273	T265-K269 WeakPolarHBondContact O-CG 3.34Å; T265-K269 PolarHBondContact O-N 3.41Å; K266-K269 WeakPolarHBondContact O-CB 3.47Å; K266-K269 PolarHBondContact O-N 3.24Å; D267-K269 VanDerWaalsContact C-N 3.32Å; D267-K269 PolarHBondContact O-N 3.47Å; K269-L271 VanDerWaalsContact C-N 3.28Å; K269-L271 PolarHBondContact O-N 3.19Å; K269-Q272 WeakPolarHBondContact O-CB 3.43Å; K269-Q272 PolarHBondContact O-N 2.68Å; K269-N273 PolarHBondContact O-N 3.35Å
270	Q	74.1	Confident	63.9	Low	67 Å²	67	69.6 Å²	69.6	31%	0.313	37%	0.369	S	S	.	.	H	α-helix	trans	-59.9	-40.2	-179.9	-168.7	173.6	14.9	0	0	111.6	K266 D267 Q272 N273 T274	K266-Q270 PolarHBondContact O-N 3.32Å; D267-Q270 PolarHBondContact O-N 2.84Å; Q270-Q272 VanDerWaalsContact C-N 3.33Å; Q270-Q272 PolarHBondContact O-N 2.8Å; Q270-N273 PolarHBondContact O-N 3.21Å; Q270-T274 PolarHBondContact O-N 2.8Å; Q270-T274 PolarHBondContact O-OG1 3.21Å
271	L	67.7	Low	61.4	Low	54 Å²	54	73.4 Å²	73.4	28%	0.283	39%	0.392	S	S	.	.	H	α-helix	trans	-65.7	-30.3	175.3	-70.1	165.4	0	0	0	113.3	D267 K269 M275 I504	D267-L271 WeakPolarHBondContact O-CG 3.46Å; D267-L271 PolarHBondContact O-N 3.44Å; K269-L271 VanDerWaalsContact C-N 3.28Å; K269-L271 PolarHBondContact O-N 3.19Å; L271-M275 VanDerWaalsContact O-CB 3.3Å; L271-M275 WeakPolarHBondContact O-CB 3.26Å; L271-M275 PolarHBondContact O-N 3.03Å; L271-I504 HydrophobicContact CD1-CB 4.39Å; L271-I504 HydrophobicContact CD1-CD1 3.71Å
272	Q	57.4	Low	58.6	Low	88 Å²	88	73.8 Å²	73.8	41%	0.411	41%	0.409	S	S	.	.	H	α-helix	trans	-65.1	-41.6	173.7	-41.9	-159	-64.6	0	0	111.3	A268 K269 Q270 T274 M275 L276	A268-Q272 WeakPolarHBondContact O-CG 3.48Å; A268-Q272 PolarHBondContact O-N 2.75Å; K269-Q272 WeakPolarHBondContact O-CB 3.43Å; K269-Q272 PolarHBondContact O-N 2.68Å; Q270-Q272 VanDerWaalsContact C-N 3.33Å; Q270-Q272 PolarHBondContact O-N 2.8Å; Q272-T274 VanDerWaalsContact C-N 3.35Å; Q272-T274 PolarHBondContact O-N 2.9Å; Q272-M275 PolarHBondContact O-N 3.11Å; Q272-L276 HydrophobicContact CB-CD1 4.49Å; Q272-L276 WeakPolarHBondContact O-CB 3.25Å; Q272-L276 WeakPolarHBondContact O-CG 3.13Å; Q272-L276 PolarHBondContact O-N 3.27Å
273	N	50.5	Low	55.9	Low	93 Å²	93	74.6 Å²	74.6	50%	0.497	42%	0.422	S	S	.	.	H	α-helix	trans	-64.5	-39.3	179.6	-68.9	2	0	0	0	111.7	K269 Q270 I277	K269-N273 PolarHBondContact O-N 3.35Å; Q270-N273 PolarHBondContact O-N 3.21Å; N273-I277 WeakPolarHBondContact O-CD1 3.22Å; N273-I277 WeakPolarHBondContact O-CG1 3.11Å
274	T	48.8	Very low	53.3	Low	81 Å²	81	78.5 Å²	78.5	50%	0.497	45%	0.448	S	S	.	.	H	α-helix	trans	-67.4	-41.7	173.7	-46.2	0	0	0	0	111.8	Q270 Q272 S278	Q270-T274 PolarHBondContact O-N 2.8Å; Q270-T274 PolarHBondContact O-OG1 3.21Å; Q272-T274 VanDerWaalsContact C-N 3.35Å; Q272-T274 PolarHBondContact O-N 2.9Å; T274-S278 PolarHBondContact O-OG 3.26Å
275	M	35	Very low	50.5	Low	90 Å²	90	86.7 Å²	86.7	44%	0.443	49%	0.489	S	S	.	.	H	α-helix	trans	-80.1	-31.4	-173.4	-154.5	177.6	-163.5	0	0	113.8	L271 Q272 I277 S278 S279	L271-M275 VanDerWaalsContact O-CB 3.3Å; L271-M275 WeakPolarHBondContact O-CB 3.26Å; L271-M275 PolarHBondContact O-N 3.03Å; Q272-M275 PolarHBondContact O-N 3.11Å; M275-I277 PolarHBondContact O-N 3Å; M275-S278 CarbonylContact O-C 3.57Å; M275-S278 WeakPolarHBondContact O-CA 3.47Å; M275-S278 WeakPolarHBondContact O-CB 3.37Å; M275-S278 PolarHBondContact O-N 3.23Å; M275-S279 PolarHBondContact O-N 3.35Å; M275-S279 PolarHBondContact O-OG 3.01Å
276	L	32	Very low	48	Very low	116 Å²	116	89.5 Å²	89.5	61%	0.607	51%	0.506	S	S	*	.	H	α-helix	trans	-66.3	-25.1	177.1	-80.9	166.1	0	0	0	113.3	Q272 S278	Q272-L276 HydrophobicContact CB-CD1 4.49Å; Q272-L276 WeakPolarHBondContact O-CB 3.25Å; Q272-L276 WeakPolarHBondContact O-CG 3.13Å; Q272-L276 PolarHBondContact O-N 3.27Å; L276-S278 VanDerWaalsContact C-N 3.31Å
277	I	36.1	Very low	45.4	Very low	98 Å²	98	92.5 Å²	92.5	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-73	-29	171	-60.3	168.1	0	0	0	110.4	N273 M275 N427	N273-I277 WeakPolarHBondContact O-CD1 3.22Å; N273-I277 WeakPolarHBondContact O-CG1 3.11Å; M275-I277 PolarHBondContact O-N 3Å; I277-N427 PolarHBondContact O-ND2 3.35Å; I277-N427 VanDerWaalsContact O-ND2 3.07Å
278	S	31	Very low	43.1	Very low	67 Å²	67	98.3 Å²	98.3	47%	0.469	56%	0.555	S	S	.	*	H	α-helix	trans	-84.4	-44	-179.9	-50.7	0	0	0	0	112.4	T274 M275 L276 A280 T281	T274-S278 PolarHBondContact O-OG 3.26Å; M275-S278 CarbonylContact O-C 3.57Å; M275-S278 WeakPolarHBondContact O-CA 3.47Å; M275-S278 WeakPolarHBondContact O-CB 3.37Å; M275-S278 PolarHBondContact O-N 3.23Å; L276-S278 VanDerWaalsContact C-N 3.31Å; S278-A280 VanDerWaalsContact C-N 3.26Å; S278-A280 PolarHBondContact O-N 3.34Å; S278-T281 PolarHBondContact O-OG1 3.14Å
279	S	32	Very low	40.8	Very low	71 Å²	71	105 Å²	105	50%	0.497	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-77	-1.1	-169.2	63.6	0	0	0	0	115.6	M275 T281	M275-S279 PolarHBondContact O-N 3.35Å; M275-S279 PolarHBondContact O-OG 3.01Å; S279-T281 PolarHBondContact O-N 2.88Å
280	A	31.8	Very low	38.7	Very low	80 Å²	80	104.7 Å²	104.7	66%	0.661	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-73.3	3	172.9	0	0	0	0	0	114	S278	S278-A280 VanDerWaalsContact C-N 3.26Å; S278-A280 PolarHBondContact O-N 3.34Å
281	T	32.6	Very low	36.9	Very low	81 Å²	81	106 Å²	106	50%	0.497	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-111.1	24	-175.5	52.2	0	0	0	0	113.8	S278 S279 N427	S278-T281 PolarHBondContact O-OG1 3.14Å; S279-T281 PolarHBondContact O-N 2.88Å; T281-N427 WeakPolarHBondContact CG2-ND2 3.43Å
282	S	27.7	Very low	35.3	Very low	104 Å²	104	108.9 Å²	108.9	73%	0.727	64%	0.643	S	S	*	*			trans	-143.5	64.2	-177.9	-59	0	0	0	0	113.8
283	T	30.9	Very low	34.2	Very low	120 Å²	120	110.6 Å²	110.6	74%	0.736	66%	0.655	S	S	*	*			trans	-133.3	109.1	165.4	42.9	0	0	0	0	111.5
284	T	31.5	Very low	33.5	Very low	121 Å²	121	115.1 Å²	115.1	74%	0.742	67%	0.67	S	S	*	*			trans	54.4	96.5	143.3	56.4	0	0	0	0	118.7	V286	T284-V286 PolarHBondContact O-N 3.48Å
285	I	27.5	Very low	32.8	Very low	172 Å²	172	115.3 Å²	115.3	88%	0.882	68%	0.675	S	S	*	*			trans	-71.8	109	147.2	-60.8	169.8	0	0	0	107
286	V	34.1	Very low	32.8	Very low	109 Å²	109	119 Å²	119	66%	0.661	69%	0.692	S	S	*	*			trans	-115.1	118.3	164.5	175.3	0	0	0	0	107.4	T284	T284-V286 PolarHBondContact O-N 3.48Å
287	K	30.9	Very low	32.8	Very low	183 Å²	183	119.6 Å²	119.6	80%	0.796	70%	0.699	S	S	*	*			trans	-69.7	130.3	170.7	-70.9	-179.5	173.1	-174.6	0	109.3
288	T	35.4	Very low	32.7	Very low	128 Å²	128	122.2 Å²	122.2	79%	0.785	71%	0.714	S	S	*	*			trans	-140.1	114.4	158.9	35.1	0	0	0	0	107.7
289	D	31.7	Very low	32.7	Very low	152 Å²	152	125.5 Å²	125.5	81%	0.813	73%	0.727	S	S	*	*			trans	-78.9	154.4	176	-69.7	-55.6	0	0	0	110.8
290	P	34.1	Very low	32.9	Very low	124 Å²	124	129.8 Å²	129.8	81%	0.805	74%	0.744	S	S	*	*			trans	-104.4	133.2	-161.9	37	-31.6	0	0	0	115
291	A	35.9	Very low	33	Very low	95 Å²	95	133 Å²	133	79%	0.785	75%	0.751	S	S	*	*			trans	-177.2	140.1	167.2	0	0	0	0	0	109.3
292	T	33.7	Very low	33.2	Very low	113 Å²	113	137 Å²	137	69%	0.693	77%	0.768	S	S	*	*			cis	-160.9	161	-18.1	-39.2	0	0	0	0	107.5
293	N	35	Very low	33.5	Very low	124 Å²	124	139 Å²	139	66%	0.663	77%	0.771	S	S	*	*			trans	74.4	118	163.1	-59.4	-41.8	0	0	0	117.1
294	K	35.4	Very low	33.8	Very low	188 Å²	188	141 Å²	141	82%	0.817	78%	0.778	S	S	*	*				67.1	136.5	83.4	-68.1	177.4	-179.1	-177.1	0	112.9
295	S	34.9	Very low	33.9	Very low	86 Å²	86	139.3 Å²	139.3	60%	0.601	77%	0.77	S	S	*	*			cis	-167.2	170.4	-1.2	40.6	0	0	0	0	110
296	E	33.9	Very low	34.1	Very low	168 Å²	168	138 Å²	138	79%	0.785	77%	0.765	S	S	*	*			trans	63.3	120.9	164.6	-70.2	131.7	-156.6	0	0	117.9
297	V	32.9	Very low	34.2	Very low	127 Å²	127	139.3 Å²	139.3	77%	0.77	77%	0.774	S	S	*	*				70	98.7	57.2	-177.9	0	0	0	0	113.4
298	N	33.1	Very low	34.2	Very low	153 Å²	153	133.5 Å²	133.5	82%	0.818	77%	0.765	S	S	*	*				-168.5	153.3	119	-116.6	-23	0	0	0	113.8
299	D	32.4	Very low	34.2	Very low	137 Å²	137	135.6 Å²	135.6	73%	0.733	77%	0.772	S	S	*	*			trans	-73	155.6	173.1	-62	-69.4	0	0	0	112.7
300	N	36.2	Very low	34.2	Very low	161 Å²	161	135.3 Å²	135.3	86%	0.861	77%	0.77	S	S	*	*				-175.7	149.4	117.3	-99.3	-55.6	0	0	0	114.6
301	N	33.7	Very low	34.4	Very low	148 Å²	148	137.8 Å²	137.8	79%	0.791	78%	0.775	S	S	*	*			trans	-70.3	151.6	172.9	-68.2	-63.5	0	0	0	112.2
302	N	37.1	Very low	34.2	Very low	163 Å²	163	139.8 Å²	139.8	87%	0.872	77%	0.772	S	S	*	*				-159.1	143.7	124.6	-117	-28.6	0	0	0	114.5
303	N	34.3	Very low	34.1	Very low	147 Å²	147	143 Å²	143	79%	0.786	78%	0.78	S	S	*	*			trans	-83.2	149.1	171.7	-66.2	-54.4	0	0	0	110.5
304	N	35.2	Very low	33.8	Very low	163 Å²	163	142.6 Å²	142.6	87%	0.872	79%	0.786	S	S	*	*				-161.5	171.9	123.1	-117.5	-22	0	0	0	114
305	S	34.2	Very low	33.5	Very low	84 Å²	84	138.6 Å²	138.6	59%	0.587	78%	0.782	S	S	*	*			trans	-122.6	-178.5	-150.6	55.8	0	0	0	0	115
306	N	32.8	Very low	33.4	Very low	144 Å²	144	139.7 Å²	139.7	77%	0.77	79%	0.79	S	S	*	*			trans	73	146.4	167.3	-57.5	-19.8	0	0	0	115.5
307	T	34.6	Very low	33.3	Very low	138 Å²	138	141.1 Å²	141.1	85%	0.847	79%	0.793	S	S	*	*			cis	-154.3	147.1	-2	-1.6	0	0	0	0	104.6
308	G	31.5	Very low	33.4	Very low	60 Å²	60	140 Å²	140	62%	0.619	79%	0.787	S	S	*	*			cis	124.1	115.8	46.6	0	0	0	0	0	108.3
309	N	35.3	Very low	33.5	Very low	173 Å²	173	141 Å²	141	93%	0.925	79%	0.787	S	S	*	*			trans	179	125.6	146.8	-93.3	-19.6	0	0	0	111
310	N	31.2	Very low	33.5	Very low	145 Å²	145	141.7 Å²	141.7	78%	0.775	78%	0.78	S	S	*	*			trans	-95	154.4	-178.5	-64.5	-49.8	0	0	0	111.5
311	I	38.4	Very low	33.8	Very low	176 Å²	176	137.2 Å²	137.2	90%	0.903	76%	0.759	S	S	*	*			trans	-151.2	143.2	133.5	-95.5	140.6	0	0	0	107.6
312	N	32.3	Very low	34.2	Very low	137 Å²	137	135.1 Å²	135.1	73%	0.733	75%	0.753	S	S	*	*			trans	-91	154.9	-160.7	-55.8	-58.6	0	0	0	113.5
313	E	31.5	Very low	34.2	Very low	182 Å²	182	137.7 Å²	137.7	85%	0.85	75%	0.751	S	S	*	*				-173.6	121.4	109.5	-102.2	-178.9	165.4	0	0	115.9
314	S	28	Very low	34.3	Very low	114 Å²	114	135.7 Å²	135.7	80%	0.797	74%	0.735	S	S	*	*			trans	72.5	35.4	141.8	78.7	0	0	0	0	123	S316	S314-S316 PolarHBondContact O-N 3.05Å
315	S	29.8	Very low	34.1	Very low	104 Å²	104	132.7 Å²	132.7	73%	0.727	72%	0.717	S	S	*	*			trans	-80.4	98.7	159.9	71.8	0	0	0	0	112.1	K317	S315-K317 PolarHBondContact O-N 3.33Å
316	S	33.2	Very low	34.2	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	72%	0.719	S	S	*	*			trans	-74.6	82.7	177.1	48.8	0	0	0	0	112.5	S314 T318	S314-S316 PolarHBondContact O-N 3.05Å; S316-T318 VanDerWaalsContact C-N 3.28Å; S316-T318 PolarHBondContact O-N 3.16Å
317	K	31	Very low	34.4	Very low	197 Å²	197	129.9 Å²	129.9	86%	0.857	70%	0.699	S	S	*	*			trans	-61	84.4	169	-78	-178.7	177.5	173.9	0	110.8	S315 Q319	S315-K317 PolarHBondContact O-N 3.33Å; K317-Q319 PolarHBondContact O-N 2.92Å
318	T	35.4	Very low	34.5	Very low	103 Å²	103	129.9 Å²	129.9	63%	0.632	68%	0.683	S	S	*	*			trans	-74.8	121.1	168.1	48.6	0	0	0	0	109.6	S316 Y320	S316-T318 VanDerWaalsContact C-N 3.28Å; S316-T318 PolarHBondContact O-N 3.16Å; T318-Y320 PolarHBondContact O-N 3.08Å
319	Q	34.5	Very low	34.5	Very low	175 Å²	175	131.5 Å²	131.5	82%	0.818	68%	0.677	S	S	*	*			trans	-49.1	123.7	176.6	-92.8	171.6	-27.8	0	0	111.2	K317 T321	K317-Q319 PolarHBondContact O-N 2.92Å; Q319-T321 PolarHBondContact O-N 3.04Å
320	Y	34.3	Very low	34.5	Very low	151 Å²	151	131.8 Å²	131.8	59%	0.592	67%	0.665	S	S	*	*			trans	-76.5	89.4	177	-121	-85.9	0	0	0	109	T318 M325 R328	T318-Y320 PolarHBondContact O-N 3.08Å; Y320-M325 HydrophobicContact CD1-CG 3.83Å; Y320-M325 HydrophobicContact CE1-CG 3.62Å; Y320-R328 VanDerWaalsContact CZ-NH1 3.32Å; Y320-R328 PolarHBondContact OH-NH1 3.36Å
321	T	42.1	Very low	34.9	Very low	68 Å²	68	130 Å²	130	42%	0.417	65%	0.652	S	S	.	*			trans	-73.2	144.5	172.6	52.1	0	0	0	0	110.5	Q319 R323 K324 M325	Q319-T321 PolarHBondContact O-N 3.04Å; T321-R323 PolarHBondContact O-N 3.48Å; T321-K324 WeakPolarHBondContact O-CA 3.48Å; T321-K324 WeakPolarHBondContact O-CB 3.35Å; T321-K324 PolarHBondContact O-N 2.89Å; T321-M325 PolarHBondContact O-N 3.26Å
322	P	40.8	Very low	35.1	Very low	103 Å²	103	128.2 Å²	128.2	67%	0.669	64%	0.64	S	S	*	*	H	α-helix	trans	-53.9	-31.5	-179.5	-29.6	35.7	0	0	0	114	K324 M325 L326	P322-K324 PolarHBondContact O-N 3.19Å; P322-M325 WeakPolarHBondContact O-CB 3.24Å; P322-M325 PolarHBondContact O-N 3.5Å; P322-L326 PolarHBondContact O-N 2.81Å
323	R	37.5	Very low	35.3	Very low	217 Å²	217	129.6 Å²	129.6	82%	0.819	64%	0.64	S	S	*	*	H	α-helix	trans	-63.3	-34.2	173.5	-70.1	-172.7	174.8	-151.2	-0.2	113.6	T321 S327	T321-R323 PolarHBondContact O-N 3.48Å; R323-S327 PolarHBondContact O-N 3.09Å; R323-S327 PolarHBondContact O-OG 3.34Å
324	K	36.9	Very low	35.9	Very low	106 Å²	106	125.7 Å²	125.7	46%	0.461	62%	0.621	S	S	.	*	H	α-helix	trans	-73.3	-30.2	173.5	-75.8	-176.8	177	177.2	0	112.3	T321 P322 S327 R328	T321-K324 WeakPolarHBondContact O-CA 3.48Å; T321-K324 WeakPolarHBondContact O-CB 3.35Å; T321-K324 PolarHBondContact O-N 2.89Å; P322-K324 PolarHBondContact O-N 3.19Å; K324-S327 VanDerWaalsContact CA-OG 3.31Å; K324-S327 WeakPolarHBondContact CA-OG 3.48Å; K324-S327 PolarHBondContact O-OG 3.4Å; K324-R328 WeakPolarHBondContact O-CB 3.44Å; K324-R328 WeakPolarHBondContact O-CG 3.14Å; K324-R328 PolarHBondContact O-N 2.93Å; K324-R328 VanDerWaalsContact O-N 3.16Å
325	M	31.8	Very low	36.9	Very low	99 Å²	99	124.2 Å²	124.2	49%	0.488	60%	0.604	S	S	.	*	H	α-helix	trans	-68.1	-47.6	168.5	-106.5	-163	79	0	0	111.7	Y320 T321 P322 S327 R328 L329	Y320-M325 HydrophobicContact CD1-CG 3.83Å; Y320-M325 HydrophobicContact CE1-CG 3.62Å; T321-M325 PolarHBondContact O-N 3.26Å; P322-M325 WeakPolarHBondContact O-CB 3.24Å; P322-M325 PolarHBondContact O-N 3.5Å; M325-S327 PolarHBondContact O-N 2.93Å; M325-R328 CarbonylContact O-C 3.55Å; M325-R328 PolarHBondContact O-N 3.31Å; M325-L329 HydrophobicContact CE-CD1 3.58Å; M325-L329 VanDerWaalsContact O-CD1 3.25Å; M325-L329 WeakPolarHBondContact O-CD1 3.25Å; M325-L329 PolarHBondContact O-N 3.26Å
326	L	35.6	Very low	37.7	Very low	119 Å²	119	121.1 Å²	121.1	62%	0.623	59%	0.585	S	S	*	*	H	α-helix	trans	-63.7	-36.7	-179.6	-80.3	160.9	0	0	0	113.2	P322 R330	P322-L326 PolarHBondContact O-N 2.81Å; L326-R330 VanDerWaalsContact O-CB 3.24Å; L326-R330 WeakPolarHBondContact O-CB 3.24Å; L326-R330 PolarHBondContact O-N 3.23Å
327	S	36.3	Very low	38.7	Very low	50 Å²	50	118.3 Å²	118.3	35%	0.35	57%	0.566	S	S	.	*	H	α-helix	trans	-66.4	-46	171.2	40.4	0	0	0	0	111.5	R323 K324 M325 L329 R330 E331	R323-S327 PolarHBondContact O-N 3.09Å; R323-S327 PolarHBondContact O-OG 3.34Å; K324-S327 VanDerWaalsContact CA-OG 3.31Å; K324-S327 WeakPolarHBondContact CA-OG 3.48Å; K324-S327 PolarHBondContact O-OG 3.4Å; M325-S327 PolarHBondContact O-N 2.93Å; S327-L329 PolarHBondContact O-N 3.33Å; S327-R330 PolarHBondContact O-N 3.38Å; S327-R330 VanDerWaalsContact O-N 3.15Å; S327-E331 WeakPolarHBondContact O-CB 3.36Å; S327-E331 WeakPolarHBondContact O-CG 3.46Å; S327-E331 PolarHBondContact O-N 2.93Å
328	R	36.6	Very low	40.5	Very low	138 Å²	138	114.3 Å²	114.3	52%	0.521	55%	0.548	S	S	.	.	H	α-helix	trans	-60.2	-42	174.1	-76	179.4	176.7	-173.6	-2.7	113.2	Y320 K324 M325 E331 Q332	Y320-R328 VanDerWaalsContact CZ-NH1 3.32Å; Y320-R328 PolarHBondContact OH-NH1 3.36Å; K324-R328 WeakPolarHBondContact O-CB 3.44Å; K324-R328 WeakPolarHBondContact O-CG 3.14Å; K324-R328 PolarHBondContact O-N 2.93Å; K324-R328 VanDerWaalsContact O-N 3.16Å; M325-R328 CarbonylContact O-C 3.55Å; M325-R328 PolarHBondContact O-N 3.31Å; R328-E331 PolarHBondContact O-N 2.69Å; R328-Q332 WeakPolarHBondContact O-CB 3.23Å; R328-Q332 PolarHBondContact O-N 3.19Å
329	L	31.8	Very low	42	Very low	94 Å²	94	114 Å²	114	49%	0.492	54%	0.539	S	S	.	.	H	α-helix	trans	-65.9	-37.7	173.6	-94.1	88.8	0	0	0	112.1	M325 S327 K333	M325-L329 HydrophobicContact CE-CD1 3.58Å; M325-L329 VanDerWaalsContact O-CD1 3.25Å; M325-L329 WeakPolarHBondContact O-CD1 3.25Å; M325-L329 PolarHBondContact O-N 3.26Å; S327-L329 PolarHBondContact O-N 3.33Å; L329-K333 VanDerWaalsContact O-CB 3.23Å; L329-K333 WeakPolarHBondContact O-CB 3.19Å; L329-K333 PolarHBondContact O-N 3.08Å
330	R	34.9	Very low	43.8	Very low	180 Å²	180	109.9 Å²	109.9	68%	0.679	52%	0.523	S	S	*	.	H	α-helix	trans	-68.8	-42	176.7	-179.2	177.9	-90	-175.3	-6.7	111.4	L326 S327 K333 Q334	L326-R330 VanDerWaalsContact O-CB 3.24Å; L326-R330 WeakPolarHBondContact O-CB 3.24Å; L326-R330 PolarHBondContact O-N 3.23Å; S327-R330 PolarHBondContact O-N 3.38Å; S327-R330 VanDerWaalsContact O-N 3.15Å; R330-K333 PolarHBondContact O-N 2.92Å; R330-Q334 WeakPolarHBondContact O-CB 3.45Å; R330-Q334 VanDerWaalsContact O-CG 3.29Å; R330-Q334 WeakPolarHBondContact O-CG 3.45Å; R330-Q334 PolarHBondContact O-N 2.91Å
331	E	40	Very low	46	Very low	108 Å²	108	108.5 Å²	108.5	51%	0.505	52%	0.522	S	S	.	.	H	α-helix	trans	-63.2	-45.5	172.6	-74.6	166.3	-166	0	0	111	S327 R328 K333 Q334 N335	S327-E331 WeakPolarHBondContact O-CB 3.36Å; S327-E331 WeakPolarHBondContact O-CG 3.46Å; S327-E331 PolarHBondContact O-N 2.93Å; R328-E331 PolarHBondContact O-N 2.69Å; E331-K333 VanDerWaalsContact C-N 3.34Å; E331-K333 PolarHBondContact O-N 3.45Å; E331-Q334 PolarHBondContact O-N 2.75Å; E331-N335 WeakPolarHBondContact O-CB 3.5Å; E331-N335 PolarHBondContact O-N 2.65Å; E331-N335 PolarHBondContact O-ND2 2.95Å
332	Q	43.2	Very low	47.8	Very low	137 Å²	137	108.3 Å²	108.3	64%	0.64	52%	0.518	S	S	*	.	H	α-helix	trans	-62.9	-39.3	175.8	-169.9	174.9	7.8	0	0	111.6	R328 N335 A336	R328-Q332 WeakPolarHBondContact O-CB 3.23Å; R328-Q332 PolarHBondContact O-N 3.19Å; Q332-N335 PolarHBondContact O-N 3.23Å; Q332-A336 WeakPolarHBondContact O-CB 3.41Å; Q332-A336 PolarHBondContact O-N 3.33Å
333	K	35.9	Very low	49.7	Very low	167 Å²	167	105.8 Å²	105.8	73%	0.726	50%	0.499	S	S	*	.	H	α-helix	trans	-68.3	-36.9	174.3	-173.7	169.9	-178.2	173.3	0	112.6	L329 R330 E331 S337	L329-K333 VanDerWaalsContact O-CB 3.23Å; L329-K333 WeakPolarHBondContact O-CB 3.19Å; L329-K333 PolarHBondContact O-N 3.08Å; R330-K333 PolarHBondContact O-N 2.92Å; E331-K333 VanDerWaalsContact C-N 3.34Å; E331-K333 PolarHBondContact O-N 3.45Å; K333-S337 PolarHBondContact O-N 2.87Å
334	Q	44.7	Very low	51.9	Low	99 Å²	99	96.6 Å²	96.6	46%	0.463	46%	0.464	S	S	.	.	H	α-helix	trans	-73.3	-31.3	174.6	-75.7	178.7	1.9	0	0	113.1	R330 E331 S337 K338	R330-Q334 WeakPolarHBondContact O-CB 3.45Å; R330-Q334 VanDerWaalsContact O-CG 3.29Å; R330-Q334 WeakPolarHBondContact O-CG 3.45Å; R330-Q334 PolarHBondContact O-N 2.91Å; E331-Q334 PolarHBondContact O-N 2.75Å; Q334-S337 PolarHBondContact O-OG 3.11Å; Q334-S337 VanDerWaalsContact O-OG 3.08Å; Q334-K338 VanDerWaalsContact O-CG 3.3Å; Q334-K338 WeakPolarHBondContact O-CG 3.42Å; Q334-K338 PolarHBondContact O-N 3.37Å
335	N	48.6	Very low	54.4	Low	83 Å²	83	92.4 Å²	92.4	44%	0.444	45%	0.446	S	S	.	.	H	α-helix	trans	-75.2	-42.2	173.6	-68.5	-20.5	0	0	0	110.1	E331 Q332 S337 K338 E339	E331-N335 WeakPolarHBondContact O-CB 3.5Å; E331-N335 PolarHBondContact O-N 2.65Å; E331-N335 PolarHBondContact O-ND2 2.95Å; Q332-N335 PolarHBondContact O-N 3.23Å; N335-S337 VanDerWaalsContact C-N 3.34Å; N335-S337 PolarHBondContact O-N 3.1Å; N335-K338 PolarHBondContact O-N 2.7Å; N335-E339 WeakPolarHBondContact O-CB 3.47Å; N335-E339 WeakPolarHBondContact O-CG 3.29Å; N335-E339 PolarHBondContact O-N 2.94Å
336	A	47.2	Very low	56.9	Low	40 Å²	40	88.9 Å²	88.9	33%	0.331	43%	0.427	S	S	.	.	H	α-helix	trans	-60.3	-39.4	172.2	0	0	0	0	0	112.5	Q332 E339 N340	Q332-A336 WeakPolarHBondContact O-CB 3.41Å; Q332-A336 PolarHBondContact O-N 3.33Å; A336-E339 PolarHBondContact O-N 3.43Å; A336-N340 WeakPolarHBondContact O-CB 3.31Å; A336-N340 PolarHBondContact O-N 3.07Å; A336-N340 PolarHBondContact O-OD1 3.26Å
337	S	54.4	Low	59.3	Low	51 Å²	51	83.8 Å²	83.8	36%	0.357	40%	0.401	S	S	.	.	H	α-helix	trans	-64.4	-44.3	175.5	75.8	0	0	0	0	111.7	K333 Q334 N335 N340 E341	K333-S337 PolarHBondContact O-N 2.87Å; Q334-S337 PolarHBondContact O-OG 3.11Å; Q334-S337 VanDerWaalsContact O-OG 3.08Å; N335-S337 VanDerWaalsContact C-N 3.34Å; N335-S337 PolarHBondContact O-N 3.1Å; S337-N340 PolarHBondContact O-N 3.26Å; S337-E341 VanDerWaalsContact O-CG 3.29Å; S337-E341 WeakPolarHBondContact O-CG 3.46Å; S337-E341 PolarHBondContact O-N 3.26Å
338	K	67.8	Low	61.7	Low	112 Å²	112	81.4 Å²	81.4	49%	0.487	38%	0.384	S	S	.	.	H	α-helix	trans	-64.5	-39.3	175.2	-70.3	170.3	-174.3	171.9	0	113	Q334 N335 E341 I342	Q334-K338 VanDerWaalsContact O-CG 3.3Å; Q334-K338 WeakPolarHBondContact O-CG 3.42Å; Q334-K338 PolarHBondContact O-N 3.37Å; N335-K338 PolarHBondContact O-N 2.7Å; K338-E341 PolarHBondContact O-N 3.01Å; K338-I342 WeakPolarHBondContact O-CB 3.23Å; K338-I342 WeakPolarHBondContact O-CD1 3.42Å; K338-I342 VanDerWaalsContact O-CG1 3.32Å; K338-I342 WeakPolarHBondContact O-CG1 3.42Å; K338-I342 PolarHBondContact O-N 3.35Å
339	E	67.8	Low	64.2	Low	96 Å²	96	74.8 Å²	74.8	45%	0.449	36%	0.359	S	S	.	.	H	α-helix	trans	-65.2	-41.2	175.1	-76.4	179.6	-158.5	0	0	110.9	N335 A336 I342 N343	N335-E339 WeakPolarHBondContact O-CB 3.47Å; N335-E339 WeakPolarHBondContact O-CG 3.29Å; N335-E339 PolarHBondContact O-N 2.94Å; A336-E339 PolarHBondContact O-N 3.43Å; E339-I342 PolarHBondContact O-N 3.29Å; E339-N343 WeakPolarHBondContact O-CB 3.48Å; E339-N343 PolarHBondContact O-N 3.34Å; E339-N343 PolarHBondContact O-ND2 3.3Å; E339-N343 VanDerWaalsContact O-ND2 3.11Å
340	N	72.4	Confident	66.9	Low	89 Å²	89	70.7 Å²	70.7	48%	0.476	34%	0.338	S	S	.	.	H	α-helix	trans	-65.4	-42.4	174.4	-70.9	-6.4	0	0	0	112.4	A336 S337 I342 N343 Y344	A336-N340 WeakPolarHBondContact O-CB 3.31Å; A336-N340 PolarHBondContact O-N 3.07Å; A336-N340 PolarHBondContact O-OD1 3.26Å; S337-N340 PolarHBondContact O-N 3.26Å; N340-I342 PolarHBondContact O-N 3.24Å; N340-N343 PolarHBondContact O-N 3.24Å; N340-Y344 WeakPolarHBondContact O-CB 3.33Å; N340-Y344 PolarHBondContact O-N 2.66Å
341	E	79.2	Confident	69.4	Low	123 Å²	123	62.1 Å²	62.1	58%	0.575	31%	0.305	S	S	*	.	H	α-helix	trans	-58	-45.8	173	-74.7	163.2	-152.6	0	0	111.6	S337 K338 W345	S337-E341 VanDerWaalsContact O-CG 3.29Å; S337-E341 WeakPolarHBondContact O-CG 3.46Å; S337-E341 PolarHBondContact O-N 3.26Å; K338-E341 PolarHBondContact O-N 3.01Å; E341-W345 WeakPolarHBondContact O-CB 3.37Å; E341-W345 PolarHBondContact O-N 3.33Å
342	I	80.4	Confident	71.8	Confident	63 Å²	63	57 Å²	57	32%	0.323	28%	0.281	S	S	.	.	H	α-helix	trans	-65.8	-41.7	175.9	-70.7	160.7	0	0	0	110.9	K338 E339 N340 W345 Y346	K338-I342 WeakPolarHBondContact O-CB 3.23Å; K338-I342 WeakPolarHBondContact O-CD1 3.42Å; K338-I342 VanDerWaalsContact O-CG1 3.32Å; K338-I342 WeakPolarHBondContact O-CG1 3.42Å; K338-I342 PolarHBondContact O-N 3.35Å; E339-I342 PolarHBondContact O-N 3.29Å; N340-I342 PolarHBondContact O-N 3.24Å; I342-W345 PolarHBondContact O-N 2.96Å; I342-Y346 HydrophobicContact CG2-CD2 3.84Å; I342-Y346 HydrophobicContact CG2-CE2 3.67Å; I342-Y346 WeakPolarHBondContact O-CD2 3.27Å; I342-Y346 PolarHBondContact O-N 3.23Å
343	N	80.6	Confident	74	Confident	51 Å²	51	50.4 Å²	50.4	27%	0.273	25%	0.251	S	S	.	.	H	α-helix	trans	-59.8	-48.4	178	-73.6	-29.6	0	0	0	111.3	E339 N340 Y346 T347 R505	E339-N343 WeakPolarHBondContact O-CB 3.48Å; E339-N343 PolarHBondContact O-N 3.34Å; E339-N343 PolarHBondContact O-ND2 3.3Å; E339-N343 VanDerWaalsContact O-ND2 3.11Å; N340-N343 PolarHBondContact O-N 3.24Å; N343-Y346 WeakPolarHBondContact O-CB 3.47Å; N343-Y346 PolarHBondContact O-N 2.94Å; N343-T347 PolarHBondContact O-N 3.27Å; N343-T347 PolarHBondContact O-OG1 3.21Å; N343-R505 PolarHBondContact OD1-NH1 3.47Å; N343-R505 PolarHBondContact OD1-NH2 2.85Å
344	Y	84.5	Confident	76.5	Confident	24 Å²	24	48.1 Å²	48.1	9%	0.094	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-39.7	177.7	-177.8	-102.7	0	0	0	112.1	N340 Y346 T347 V348 L384 F385 L390	N340-Y344 WeakPolarHBondContact O-CB 3.33Å; N340-Y344 PolarHBondContact O-N 2.66Å; Y344-Y346 VanDerWaalsContact C-N 3.33Å; Y344-Y346 PolarHBondContact O-N 2.86Å; Y344-T347 WeakPolarHBondContact O-CB 3.37Å; Y344-T347 PolarHBondContact O-N 3.24Å; Y344-T347 VanDerWaalsContact O-N 3.1Å; Y344-V348 HydrophobicContact CD1-CG2 4.01Å; Y344-V348 HydrophobicContact CD2-CG2 4.47Å; Y344-V348 HydrophobicContact CE1-CG2 3.53Å; Y344-V348 HydrophobicContact CE2-CG2 4.04Å; Y344-V348 HydrophobicContact CG-CG2 4.46Å; Y344-V348 WeakPolarHBondContact O-CG2 3.5Å; Y344-V348 PolarHBondContact O-N 3.33Å; Y344-L384 WeakPolarHBondContact CE1-O 3.27Å; Y344-L384 VanDerWaalsContact CZ-O 3.29Å; Y344-L384 PolarHBondContact OH-O 3.38Å; Y344-F385 HydrophobicContact CD1-CD1 4.35Å; Y344-F385 HydrophobicContact CD1-CE1 4.42Å; Y344-F385 HydrophobicContact CE1-CD1 4.19Å; Y344-F385 HydrophobicContact CE1-CE1 4.43Å; Y344-L390 HydrophobicContact CE2-CB 4.28Å
345	W	87.8	Confident	78.6	Confident	18 Å²	18	43.9 Å²	43.9	7%	0.068	22%	0.218	C	C	.	.	H	α-helix	trans	-57.5	-43.4	172.4	178.5	91.3	0	0	0	112.3	E341 I342 V349 F385 L461 Q464 I510	E341-W345 WeakPolarHBondContact O-CB 3.37Å; E341-W345 PolarHBondContact O-N 3.33Å; I342-W345 PolarHBondContact O-N 2.96Å; W345-V349 HydrophobicContact CD2-CG2 4.21Å; W345-V349 HydrophobicContact CZ2-CG2 4.14Å; W345-V349 WeakPolarHBondContact O-CB 3.36Å; W345-V349 VanDerWaalsContact O-CG2 3.3Å; W345-V349 WeakPolarHBondContact O-CG2 3.16Å; W345-V349 PolarHBondContact O-N 3.04Å; W345-F385 HydrophobicContact CB-CE1 4.49Å; W345-L461 HydrophobicContact CZ2-CD2 4.36Å; W345-Q464 HydrophobicContact CH2-CB 4.43Å; W345-Q464 HydrophobicContact CH2-CG 4.2Å; W345-Q464 HydrophobicContact CZ2-CB 3.79Å; W345-Q464 HydrophobicContact CZ2-CG 3.94Å; W345-I510 HydrophobicContact CE3-CD1 4.17Å; W345-I510 HydrophobicContact CH2-CD1 3.4Å; W345-I510 VanDerWaalsContact CH2-CD1 3.4Å; W345-I510 HydrophobicContact CZ2-CD1 4.44Å; W345-I510 HydrophobicContact CZ3-CD1 3.24Å
346	Y	85.7	Confident	80.5	Confident	25 Å²	25	40 Å²	40	10%	0.098	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-43	172.8	-85	-71.9	0	0	0	112.1	I342 N343 Y344 N350 R505 L506 Q509 I510	I342-Y346 HydrophobicContact CG2-CD2 3.84Å; I342-Y346 HydrophobicContact CG2-CE2 3.67Å; I342-Y346 WeakPolarHBondContact O-CD2 3.27Å; I342-Y346 PolarHBondContact O-N 3.23Å; N343-Y346 WeakPolarHBondContact O-CB 3.47Å; N343-Y346 PolarHBondContact O-N 2.94Å; Y344-Y346 VanDerWaalsContact C-N 3.33Å; Y344-Y346 PolarHBondContact O-N 2.86Å; Y346-N350 WeakPolarHBondContact O-CB 3.17Å; Y346-N350 PolarHBondContact O-N 3.05Å; Y346-R505 HydrophobicContact CD1-CG 4.32Å; Y346-R505 HydrophobicContact CE1-CG 4.24Å; Y346-L506 HydrophobicContact CE1-CB 4.5Å; Y346-L506 HydrophobicContact CE1-CD1 4.09Å; Y346-Q509 HydrophobicContact CD1-CB 4.34Å; Y346-I510 HydrophobicContact CD1-CD1 3.55Å; Y346-I510 HydrophobicContact CD1-CG1 3.98Å; Y346-I510 HydrophobicContact CE1-CD1 3.55Å; Y346-I510 HydrophobicContact CE1-CG1 4.11Å
347	T	84.9	Confident	82.5	Confident	11 Å²	11	39.2 Å²	39.2	7%	0.067	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-51.8	176.8	-54.8	0	0	0	0	111.3	N343 Y344 V349 N350 A351 F434 I441	N343-T347 PolarHBondContact O-N 3.27Å; N343-T347 PolarHBondContact O-OG1 3.21Å; Y344-T347 WeakPolarHBondContact O-CB 3.37Å; Y344-T347 PolarHBondContact O-N 3.24Å; Y344-T347 VanDerWaalsContact O-N 3.1Å; T347-V349 PolarHBondContact O-N 2.9Å; T347-N350 PolarHBondContact O-N 3.43Å; T347-A351 WeakPolarHBondContact O-CB 3.25Å; T347-A351 PolarHBondContact O-N 2.9Å; T347-F434 HydrophobicContact CG2-CD2 4.42Å; T347-F434 HydrophobicContact CG2-CE2 3.86Å; T347-F434 HydrophobicContact CG2-CZ 4.36Å; T347-I441 HydrophobicContact CG2-CD1 4.32Å
348	V	87.8	Confident	83.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-45.7	-179.8	173	0	0	0	0	111.7	Y344 A351 I352 L384 F385 I441 I460	Y344-V348 HydrophobicContact CD1-CG2 4.01Å; Y344-V348 HydrophobicContact CD2-CG2 4.47Å; Y344-V348 HydrophobicContact CE1-CG2 3.53Å; Y344-V348 HydrophobicContact CE2-CG2 4.04Å; Y344-V348 HydrophobicContact CG-CG2 4.46Å; Y344-V348 WeakPolarHBondContact O-CG2 3.5Å; Y344-V348 PolarHBondContact O-N 3.33Å; V348-A351 PolarHBondContact O-N 3.47Å; V348-I352 HydrophobicContact CG1-CD1 3.81Å; V348-I352 VanDerWaalsContact O-CG1 3.31Å; V348-I352 WeakPolarHBondContact O-CG1 3.44Å; V348-I352 PolarHBondContact O-N 3.38Å; V348-L384 HydrophobicContact CG1-CB 4.44Å; V348-L384 HydrophobicContact CG1-CD1 4.12Å; V348-L384 HydrophobicContact CG1-CD2 4.46Å; V348-F385 HydrophobicContact CB-CZ 4.28Å; V348-F385 HydrophobicContact CG1-CE2 4.26Å; V348-F385 HydrophobicContact CG1-CZ 3.9Å; V348-I441 HydrophobicContact CG2-CD1 3.97Å; V348-I460 HydrophobicContact CG1-CD1 4.43Å
349	V	89.3	Confident	84.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-43.5	179.5	171.9	0	0	0	0	111.5	W345 T347 I352 L353 L457 I460 L461 I510	W345-V349 HydrophobicContact CD2-CG2 4.21Å; W345-V349 HydrophobicContact CZ2-CG2 4.14Å; W345-V349 WeakPolarHBondContact O-CB 3.36Å; W345-V349 VanDerWaalsContact O-CG2 3.3Å; W345-V349 WeakPolarHBondContact O-CG2 3.16Å; W345-V349 PolarHBondContact O-N 3.04Å; T347-V349 PolarHBondContact O-N 2.9Å; V349-I352 PolarHBondContact O-N 3.09Å; V349-L353 HydrophobicContact CG1-CD1 3.81Å; V349-L353 HydrophobicContact CG1-CG 4.47Å; V349-L353 WeakPolarHBondContact O-CB 3.42Å; V349-L353 VanDerWaalsContact O-CG 3.3Å; V349-L353 WeakPolarHBondContact O-CG 3.33Å; V349-L353 PolarHBondContact O-N 2.95Å; V349-L457 HydrophobicContact CG1-CD1 4.22Å; V349-I460 HydrophobicContact CG2-CG2 3.58Å; V349-L461 HydrophobicContact CG1-CD2 3.82Å; V349-L461 HydrophobicContact CG2-CD2 4.49Å; V349-I510 HydrophobicContact CB-CD1 4.24Å; V349-I510 HydrophobicContact CG1-CD1 3.8Å; V349-I510 HydrophobicContact CG1-CG1 3.83Å; V349-I510 HydrophobicContact CG1-CG2 4.13Å
350	N	88.2	Confident	85.1	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-65.4	-38.7	176.7	175.1	49.8	0	0	0	111.8	Y346 T347 L353 R354	Y346-N350 WeakPolarHBondContact O-CB 3.17Å; Y346-N350 PolarHBondContact O-N 3.05Å; T347-N350 PolarHBondContact O-N 3.43Å; N350-L353 PolarHBondContact O-N 3.4Å; N350-R354 PolarHBondContact ND2-NE 2.97Å; N350-R354 PolarHBondContact ND2-NH2 3.4Å; N350-R354 WeakPolarHBondContact O-CB 3.25Å; N350-R354 WeakPolarHBondContact O-CG 3.5Å; N350-R354 PolarHBondContact O-N 3.3Å; N350-R354 PolarHBondContact OD1-NE 3.36Å
351	A	86.7	Confident	85.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-49	173.3	0	0	0	0	0	111.5	T347 V348 L353 R354 F355 M438 I441	T347-A351 WeakPolarHBondContact O-CB 3.25Å; T347-A351 PolarHBondContact O-N 2.9Å; V348-A351 PolarHBondContact O-N 3.47Å; A351-L353 VanDerWaalsContact C-N 3.35Å; A351-L353 PolarHBondContact O-N 3.43Å; A351-R354 PolarHBondContact O-N 2.82Å; A351-F355 WeakPolarHBondContact O-CB 3.47Å; A351-F355 PolarHBondContact O-N 3.08Å; A351-M438 HydrophobicContact CB-CG 4.44Å; A351-I441 HydrophobicContact CB-CB 4.37Å; A351-I441 HydrophobicContact CB-CG2 3.69Å
352	I	90	Very high	86.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.7	-44.1	176.2	-68	165.9	0	0	0	111.8	V348 V349 F355 M356 L384 L445 I453 L456 L457 I460	V348-I352 HydrophobicContact CG1-CD1 3.81Å; V348-I352 VanDerWaalsContact O-CG1 3.31Å; V348-I352 WeakPolarHBondContact O-CG1 3.44Å; V348-I352 PolarHBondContact O-N 3.38Å; V349-I352 PolarHBondContact O-N 3.09Å; I352-F355 PolarHBondContact O-N 3.01Å; I352-M356 WeakPolarHBondContact O-CG 3.19Å; I352-M356 PolarHBondContact O-N 3.35Å; I352-L384 HydrophobicContact CD1-CD1 4.36Å; I352-L445 HydrophobicContact CG1-CD1 3.89Å; I352-L445 HydrophobicContact CG1-CD2 3.97Å; I352-I453 HydrophobicContact CG2-CG2 3.67Å; I352-L456 HydrophobicContact CD1-CD2 4.3Å; I352-L457 HydrophobicContact CG2-CB 3.93Å; I352-L457 HydrophobicContact CG2-CD1 4.01Å; I352-L457 HydrophobicContact CG2-CD2 4.33Å; I352-L457 HydrophobicContact CG2-CG 4.3Å; I352-I460 HydrophobicContact CD1-CD1 3.75Å
353	L	90.5	Very high	86.4	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-44	177.3	-75	165.8	0	0	0	111.8	V349 N350 A351 M356 L357 L457 I510 P513 L514 L517	V349-L353 HydrophobicContact CG1-CD1 3.81Å; V349-L353 HydrophobicContact CG1-CG 4.47Å; V349-L353 WeakPolarHBondContact O-CB 3.42Å; V349-L353 VanDerWaalsContact O-CG 3.3Å; V349-L353 WeakPolarHBondContact O-CG 3.33Å; V349-L353 PolarHBondContact O-N 2.95Å; N350-L353 PolarHBondContact O-N 3.4Å; A351-L353 VanDerWaalsContact C-N 3.35Å; A351-L353 PolarHBondContact O-N 3.43Å; L353-M356 PolarHBondContact O-N 2.68Å; L353-L357 WeakPolarHBondContact O-CB 3.38Å; L353-L357 VanDerWaalsContact O-CG 3.3Å; L353-L357 WeakPolarHBondContact O-CG 3.45Å; L353-L357 PolarHBondContact O-N 2.94Å; L353-L357 VanDerWaalsContact O-N 3.08Å; L353-L457 HydrophobicContact CD2-CD1 4.22Å; L353-L457 HydrophobicContact CD2-CD2 3.68Å; L353-L457 HydrophobicContact CG-CD1 4.14Å; L353-L457 HydrophobicContact CG-CD2 4.37Å; L353-I510 HydrophobicContact CD1-CG2 4.34Å; L353-P513 HydrophobicContact CB-CB 4.11Å; L353-P513 HydrophobicContact CD1-CB 4.21Å; L353-L514 HydrophobicContact CD2-CB 4.17Å; L353-L514 HydrophobicContact CD2-CD1 4.1Å; L353-L517 HydrophobicContact CD2-CD2 3.82Å
354	R	88.6	Confident	86.6	Confident	118 Å²	118	36.8 Å²	36.8	45%	0.445	16%	0.16	S	C	.	.	H	α-helix	trans	-65.1	-44.7	175.9	-72.5	172	-175.6	-155.9	-6.9	112	N350 A351 M356 L357 R358 M438	N350-R354 PolarHBondContact ND2-NE 2.97Å; N350-R354 PolarHBondContact ND2-NH2 3.4Å; N350-R354 WeakPolarHBondContact O-CB 3.25Å; N350-R354 WeakPolarHBondContact O-CG 3.5Å; N350-R354 PolarHBondContact O-N 3.3Å; N350-R354 PolarHBondContact OD1-NE 3.36Å; A351-R354 PolarHBondContact O-N 2.82Å; R354-M356 VanDerWaalsContact C-N 3.31Å; R354-M356 PolarHBondContact O-N 2.84Å; R354-L357 PolarHBondContact O-N 3.46Å; R354-L357 VanDerWaalsContact O-N 3.13Å; R354-R358 VanDerWaalsContact O-CB 3.24Å; R354-R358 WeakPolarHBondContact O-CB 3.47Å; R354-R358 PolarHBondContact O-N 3.04Å; R354-M438 HydrophobicContact CB-CE 4.43Å
355	F	88.7	Confident	86.8	Confident	11 Å²	11	42.1 Å²	42.1	5%	0.048	18%	0.18	C	C	.	.	H	α-helix	trans	-57.5	-43.8	175.7	175.8	-87.7	0	0	0	111.8	A351 I352 N361 L445 H446 I453	A351-F355 WeakPolarHBondContact O-CB 3.47Å; A351-F355 PolarHBondContact O-N 3.08Å; I352-F355 PolarHBondContact O-N 3.01Å; F355-N361 HydrophobicContact CE1-CB 4.24Å; F355-N361 VanDerWaalsContact CE1-ND2 3.35Å; F355-N361 WeakPolarHBondContact CE1-ND2 3.21Å; F355-N361 WeakPolarHBondContact CZ-ND2 3.25Å; F355-N361 PolarHBondContact O-ND2 2.87Å; F355-L445 HydrophobicContact CB-CD1 3.79Å; F355-L445 HydrophobicContact CD1-CB 4.2Å; F355-L445 HydrophobicContact CD2-CB 3.65Å; F355-L445 HydrophobicContact CD2-CD1 4.32Å; F355-L445 HydrophobicContact CE1-CB 4.32Å; F355-L445 HydrophobicContact CE2-CB 3.76Å; F355-L445 HydrophobicContact CG-CB 3.88Å; F355-L445 HydrophobicContact CG-CD1 3.96Å; F355-L445 HydrophobicContact CZ-CB 4.1Å; F355-L445 WeakPolarHBondContact CZ-O 3.45Å; F355-H446 HydrophobicContact CE2-CB 4.38Å; F355-H446 AromaticContact CE2-CD2 3.8Å; F355-H446 AromaticContact CE2-CE1 3.82Å; F355-H446 AromaticContact CE2-CG 3.74Å; F355-H446 AromaticContact CE2-ND1 3.76Å; F355-H446 AromaticContact CE2-NE2 3.86Å; F355-I453 HydrophobicContact CD1-CD1 4Å; F355-I453 HydrophobicContact CD1-CG2 4.44Å; F355-I453 HydrophobicContact CE1-CD1 3.39Å; F355-I453 HydrophobicContact CZ-CD1 3.99Å
356	M	88.8	Confident	86.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.9	-41.4	175.5	-75.9	-165.7	74.3	0	0	112	I352 L353 R354 N361 Y362 I367 F368 I453 A454 L457 L517	I352-M356 WeakPolarHBondContact O-CG 3.19Å; I352-M356 PolarHBondContact O-N 3.35Å; L353-M356 PolarHBondContact O-N 2.68Å; R354-M356 VanDerWaalsContact C-N 3.31Å; R354-M356 PolarHBondContact O-N 2.84Å; M356-N361 PolarHBondContact O-N 3.18Å; M356-Y362 WeakPolarHBondContact O-CD1 3.5Å; M356-I367 HydrophobicContact CE-CD1 4.04Å; M356-I367 HydrophobicContact CE-CG1 4.19Å; M356-F368 HydrophobicContact CE-CE1 4.45Å; M356-F368 HydrophobicContact CE-CE2 4.18Å; M356-F368 HydrophobicContact CE-CZ 3.7Å; M356-F368 HydrophobicContact SD-CZ 4.06Å; M356-I453 HydrophobicContact CG-CG2 4.32Å; M356-A454 HydrophobicContact CE-CB 3.93Å; M356-A454 HydrophobicContact SD-CB 4.34Å; M356-L457 HydrophobicContact SD-CD2 3.9Å; M356-L517 HydrophobicContact CB-CD1 4.15Å; M356-L517 HydrophobicContact CB-CD2 4.16Å; M356-L517 HydrophobicContact CE-CD1 4.18Å; M356-L517 HydrophobicContact CE-CD2 4.15Å; M356-L517 HydrophobicContact SD-CD2 3.84Å
357	L	89.4	Confident	86.7	Confident	25 Å²	25	42.5 Å²	42.5	13%	0.131	18%	0.183	C	C	.	.	H	α-helix	trans	-78.1	-33.8	-176.9	-72.1	168.8	0	0	0	114.8	L353 R354 P513 E516 L517 K520	L353-L357 WeakPolarHBondContact O-CB 3.38Å; L353-L357 VanDerWaalsContact O-CG 3.3Å; L353-L357 WeakPolarHBondContact O-CG 3.45Å; L353-L357 PolarHBondContact O-N 2.94Å; L353-L357 VanDerWaalsContact O-N 3.08Å; R354-L357 PolarHBondContact O-N 3.46Å; R354-L357 VanDerWaalsContact O-N 3.13Å; L357-P513 HydrophobicContact CD1-CB 4.17Å; L357-E516 HydrophobicContact CD2-CG 4.27Å; L357-L517 HydrophobicContact CD2-CB 4.04Å; L357-L517 HydrophobicContact CD2-CD1 4.19Å; L357-L517 HydrophobicContact CG-CB 4.45Å; L357-K520 HydrophobicContact CD2-CD 3.66Å
358	R	83.7	Confident	86.8	Confident	186 Å²	186	42.9 Å²	42.9	70%	0.702	18%	0.184	S	C	*	.	H	α-helix	trans	-68.3	-42.5	-165.8	-173.3	-176.9	-179	170	-0.2	114.1	R354	R354-R358 VanDerWaalsContact O-CB 3.24Å; R354-R358 WeakPolarHBondContact O-CB 3.47Å; R354-R358 PolarHBondContact O-N 3.04Å
359	N	75.9	Confident	86.7	Confident	85 Å²	85	46.8 Å²	46.8	46%	0.455	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	21.9	-176.4	-59.3	-4.4	0	0	0	111.9	N361	N359-N361 PolarHBondContact O-N 3.37Å; N359-N361 VanDerWaalsContact O-N 3.08Å
360	E	84.2	Confident	86.4	Confident	92 Å²	92	53.1 Å²	53.1	43%	0.43	22%	0.222	S	C	.	.			trans	54.8	26	-174.3	-50	-172.6	126.5	0	0	114.6	Y362 K363	E360-Y362 HydrophobicContact CB-CE1 4.1Å; E360-Y362 HydrophobicContact CG-CE1 4.39Å; E360-Y362 PolarHBondContact O-N 3.45Å; E360-K363 HydrophobicContact CB-CD 3.91Å; E360-K363 HydrophobicContact CB-CG 4.19Å; E360-K363 WeakPolarHBondContact O-CB 3.13Å; E360-K363 PolarHBondContact O-N 2.9Å; E360-K363 IonicContact OE1-NZ 3Å; E360-K363 PolarHBondContact OE1-NZ 2.7Å; E360-K363 WeakPolarHBondContact OE2-CE 3.31Å; E360-K363 IonicContact OE2-NZ 2.68Å; E360-K363 PolarHBondContact OE2-NZ 3.05Å
361	N	84.8	Confident	86	Confident	32 Å²	32	57.6 Å²	57.6	17%	0.171	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-1.6	178.2	-69.5	-36.3	0	0	0	114	F355 M356 N359 H364 P450	F355-N361 HydrophobicContact CE1-CB 4.24Å; F355-N361 VanDerWaalsContact CE1-ND2 3.35Å; F355-N361 WeakPolarHBondContact CE1-ND2 3.21Å; F355-N361 WeakPolarHBondContact CZ-ND2 3.25Å; F355-N361 PolarHBondContact O-ND2 2.87Å; M356-N361 PolarHBondContact O-N 3.18Å; N359-N361 PolarHBondContact O-N 3.37Å; N359-N361 VanDerWaalsContact O-N 3.08Å; N361-H364 PolarHBondContact O-CD2 3.33Å; N361-P450 HydrophobicContact CB-CB 4.27Å; N361-P450 HydrophobicContact CB-CG 4.18Å; N361-P450 WeakPolarHBondContact O-CB 3.31Å
362	Y	87.2	Confident	85.6	Confident	5 Å²	5	58.1 Å²	58.1	2%	0.02	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-12	170.2	64.2	-97.5	0	0	0	114	M356 E360 H364 L517 K520 V521 E524 C527	M356-Y362 WeakPolarHBondContact O-CD1 3.5Å; E360-Y362 HydrophobicContact CB-CE1 4.1Å; E360-Y362 HydrophobicContact CG-CE1 4.39Å; E360-Y362 PolarHBondContact O-N 3.45Å; Y362-H364 PolarHBondContact O-N 3.37Å; Y362-L517 HydrophobicContact CD1-CD1 4.01Å; Y362-L517 HydrophobicContact CG-CD1 3.96Å; Y362-K520 HydrophobicContact CD2-CB 4.48Å; Y362-K520 HydrophobicContact CE1-CB 4.25Å; Y362-K520 HydrophobicContact CE1-CD 4Å; Y362-K520 HydrophobicContact CE2-CB 3.83Å; Y362-V521 HydrophobicContact CD2-CG2 3.8Å; Y362-V521 HydrophobicContact CG-CG2 4.1Å; Y362-E524 HydrophobicContact CD2-CG 4.47Å; Y362-E524 HydrophobicContact CE2-CG 3.62Å; Y362-C527 PolarHBondContact O-SG 2.96Å; Y362-C527 VanDerWaalsContact O-SG 3.33Å
363	K	87	Confident	85.5	Confident	60 Å²	60	62.4 Å²	62.4	26%	0.261	28%	0.281	S	S	.	.			trans	-72.6	58.7	178.8	-71.7	-176	173.7	175.7	0	112.8	E360 E524	E360-K363 HydrophobicContact CB-CD 3.91Å; E360-K363 HydrophobicContact CB-CG 4.19Å; E360-K363 WeakPolarHBondContact O-CB 3.13Å; E360-K363 PolarHBondContact O-N 2.9Å; E360-K363 IonicContact OE1-NZ 3Å; E360-K363 PolarHBondContact OE1-NZ 2.7Å; E360-K363 WeakPolarHBondContact OE2-CE 3.31Å; E360-K363 IonicContact OE2-NZ 2.68Å; E360-K363 PolarHBondContact OE2-NZ 3.05Å; K363-E524 VanDerWaalsContact CE-CD 3.45Å; K363-E524 WeakPolarHBondContact CE-OE1 3.25Å; K363-E524 HydrophobicContact CG-CG 4.31Å; K363-E524 IonicContact NZ-OE1 3.5Å
364	H	85.8	Confident	85.3	Confident	74 Å²	74	66.5 Å²	66.5	34%	0.343	30%	0.299	S	S	.	.	S	Bend	trans	-121.6	136	170.9	-72.7	-83.4	0	0	0	111.1	N361 Y362 F366 I367 P450	N361-H364 PolarHBondContact O-CD2 3.33Å; Y362-H364 PolarHBondContact O-N 3.37Å; H364-F366 PolarHBondContact O-N 2.82Å; H364-I367 HydrophobicContact CB-CD1 4.02Å; H364-I367 WeakPolarHBondContact O-CB 3.48Å; H364-I367 PolarHBondContact O-N 3.48Å; H364-P450 WeakPolarHBondContact NE2-CG 3.42Å
365	R	87	Confident	85.3	Confident	135 Å²	135	64.3 Å²	64.3	51%	0.509	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	122.6	177.4	-166.1	-173	175.4	166.9	13	111.3	E526 E528	R365-E526 WeakPolarHBondContact CA-O 3.47Å; R365-E528 HydrophobicContact CG-CB 4.46Å; R365-E528 HydrophobicContact CG-CG 4.26Å; R365-E528 IonicContact CZ-OE1 3.72Å; R365-E528 IonicContact CZ-OE2 2.72Å; R365-E528 IonicContact NE-OE1 2.67Å; R365-E528 PolarHBondContact NE-OE1 3.11Å; R365-E528 VanDerWaalsContact NE-OE1 3.08Å; R365-E528 IonicContact NE-OE2 3.95Å; R365-E528 PolarHBondContact NE-OE2 3.08Å; R365-E528 VanDerWaalsContact NH2-CD 3.28Å; R365-E528 IonicContact NH2-OE1 2.78Å; R365-E528 PolarHBondContact NH2-OE1 3.33Å; R365-E528 IonicContact NH2-OE2 3.14Å; R365-E528 PolarHBondContact NH2-OE2 2.8Å
366	F	86.5	Confident	85.2	Confident	50 Å²	50	66.4 Å²	66.4	22%	0.219	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	34.8	-174.8	-53.9	-65.6	0	0	0	115.1	H364 R369 R370 C527 E528	H364-F366 PolarHBondContact O-N 2.82Å; F366-R369 HydrophobicContact CB-CB 4.08Å; F366-R369 WeakPolarHBondContact O-CB 3.29Å; F366-R369 PolarHBondContact O-N 3Å; F366-R369 VanDerWaalsContact O-N 3.15Å; F366-R370 HydrophobicContact CB-CG 3.8Å; F366-R370 PolarHBondContact O-N 3Å; F366-C527 WeakPolarHBondContact CA-O 3.49Å; F366-C527 PolarHBondContact N-O 3.29Å; F366-E528 HydrophobicContact CD1-CB 4.07Å; F366-E528 HydrophobicContact CE1-CB 3.76Å; F366-E528 WeakPolarHBondContact CE1-OE2 3.44Å; F366-E528 WeakPolarHBondContact CE2-OE2 3.39Å; F366-E528 HydrophobicContact CZ-CB 4.23Å; F366-E528 WeakPolarHBondContact CZ-OE2 3.36Å
367	I	86	Confident	85.2	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	141.8	167.9	-165.6	101.8	0	0	0	110.8	M356 H364 R369 A454 V521 C527 V529	M356-I367 HydrophobicContact CE-CD1 4.04Å; M356-I367 HydrophobicContact CE-CG1 4.19Å; H364-I367 HydrophobicContact CB-CD1 4.02Å; H364-I367 WeakPolarHBondContact O-CB 3.48Å; H364-I367 PolarHBondContact O-N 3.48Å; I367-R369 PolarHBondContact O-N 2.84Å; I367-A454 HydrophobicContact CD1-CB 3.81Å; I367-A454 HydrophobicContact CG1-CB 3.81Å; I367-V521 HydrophobicContact CG2-CG1 3.61Å; I367-V521 HydrophobicContact CG2-CG2 4.03Å; I367-C527 HydrophobicContact CG2-CB 4.32Å; I367-V529 HydrophobicContact CG2-CG2 4.46Å
368	F	88	Confident	85.1	Confident	20 Å²	20	67.9 Å²	67.9	9%	0.088	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	-27.5	-170.6	-55.2	-70.5	0	0	0	117.4	M356 A454 L457 L517 V521 L534 L537 F538	M356-F368 HydrophobicContact CE-CE1 4.45Å; M356-F368 HydrophobicContact CE-CE2 4.18Å; M356-F368 HydrophobicContact CE-CZ 3.7Å; M356-F368 HydrophobicContact SD-CZ 4.06Å; F368-A454 HydrophobicContact CD1-CB 3.79Å; F368-A454 HydrophobicContact CE1-CB 3.61Å; F368-A454 WeakPolarHBondContact CE1-O 3.37Å; F368-A454 HydrophobicContact CG-CB 4.44Å; F368-A454 HydrophobicContact CZ-CB 4.13Å; F368-L457 HydrophobicContact CE1-CD2 4.17Å; F368-L457 HydrophobicContact CZ-CD2 4.24Å; F368-L517 HydrophobicContact CE2-CD2 4.46Å; F368-L517 HydrophobicContact CE2-CG 4.48Å; F368-L517 HydrophobicContact CZ-CD2 3.94Å; F368-L517 HydrophobicContact CZ-CG 4.43Å; F368-V521 HydrophobicContact CE2-CG2 4.42Å; F368-L534 HydrophobicContact CD2-CD2 4.35Å; F368-L537 HydrophobicContact CB-CD1 4.01Å; F368-F538 HydrophobicContact CB-CE2 4.22Å; F368-F538 HydrophobicContact CD1-CE2 4.08Å; F368-F538 AromaticContact CD1-CZ 3.7Å; F368-F538 HydrophobicContact CD1-CZ 3.7Å; F368-F538 HydrophobicContact CD2-CE2 4.06Å; F368-F538 HydrophobicContact CD2-CZ 4.22Å; F368-F538 HydrophobicContact CE1-CE2 4.47Å; F368-F538 AromaticContact CE1-CZ 3.74Å; F368-F538 HydrophobicContact CE1-CZ 3.74Å; F368-F538 HydrophobicContact CE2-CE2 4.45Å; F368-F538 HydrophobicContact CE2-CZ 4.25Å; F368-F538 AromaticContact CG-CE2 3.86Å; F368-F538 HydrophobicContact CG-CE2 3.86Å; F368-F538 AromaticContact CG-CZ 3.95Å; F368-F538 HydrophobicContact CG-CZ 3.95Å; F368-F538 HydrophobicContact CZ-CZ 4.01Å
369	R	85.5	Confident	85.3	Confident	82 Å²	82	62.9 Å²	62.9	31%	0.309	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-42.8	172.9	-81.8	178.7	162	170.8	-7.9	111.5	F366 I367 E528 V529 D530 S533 L537	F366-R369 HydrophobicContact CB-CB 4.08Å; F366-R369 WeakPolarHBondContact O-CB 3.29Å; F366-R369 PolarHBondContact O-N 3Å; F366-R369 VanDerWaalsContact O-N 3.15Å; I367-R369 PolarHBondContact O-N 2.84Å; R369-E528 PolarHBondContact NH1-O 2.81Å; R369-V529 HydrophobicContact CG-CG1 4.46Å; R369-D530 IonicContact CZ-OD1 2.89Å; R369-D530 IonicContact NH1-OD1 3.89Å; R369-D530 IonicContact NH2-OD1 2.8Å; R369-D530 PolarHBondContact NH2-OD1 3.19Å; R369-S533 VanDerWaalsContact NH2-CB 3.27Å; R369-S533 PolarHBondContact NH2-OG 3.33Å; R369-L537 HydrophobicContact CG-CD1 3.81Å
370	R	82.4	Confident	85.9	Confident	132 Å²	132	58.8 Å²	58.8	50%	0.498	29%	0.288	S	S	.	.	S	Bend	trans	-77.8	129	177.3	-75.6	177	176.5	-162.5	-0.1	110.8	F366	F366-R370 HydrophobicContact CB-CG 3.8Å; F366-R370 PolarHBondContact O-N 3Å
371	P	79.5	Confident	86	Confident	102 Å²	102	55 Å²	55	66%	0.662	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-69	130.9	167.7	29.4	-32.1	0	0	0	109.4
372	G	78.7	Confident	86.1	Confident	11 Å²	11	59.3 Å²	59.3	11%	0.113	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-70.1	163.6	169.5	0	0	0	0	0	111.5	Q374	G372-Q374 PolarHBondContact O-N 3.29Å
373	N	87.1	Confident	86	Confident	90 Å²	90	61.6 Å²	61.6	48%	0.481	30%	0.299	S	S	.	.			trans	-55.5	110.4	176.3	177	-10.4	0	0	0	110.2	S375 N376 V377	N373-S375 PolarHBondContact O-N 3.29Å; N373-S375 VanDerWaalsContact O-N 3.11Å; N373-S375 PolarHBondContact OD1-N 3.17Å; N373-S375 VanDerWaalsContact OD1-N 3.15Å; N373-N376 HydrophobicContact CB-CB 4.29Å; N373-N376 PolarHBondContact ND2-OD1 3.31Å; N373-N376 PolarHBondContact O-N 3.11Å; N373-V377 WeakPolarHBondContact O-CG2 3.19Å; N373-V377 PolarHBondContact O-N 2.92Å
374	Q	86	Confident	85.9	Confident	85 Å²	85	58.9 Å²	58.9	40%	0.397	29%	0.287	S	S	.	.	H	α-helix	trans	-57.4	-32.6	-170.2	-176.6	60.4	27.2	0	0	113.3	G372 N378	G372-Q374 PolarHBondContact O-N 3.29Å; Q374-N378 PolarHBondContact NE2-OD1 2.95Å; Q374-N378 VanDerWaalsContact O-CB 3.3Å; Q374-N378 WeakPolarHBondContact O-CB 3.26Å; Q374-N378 PolarHBondContact O-N 2.89Å; Q374-N378 PolarHBondContact O-ND2 3.4Å
375	S	88.3	Confident	85.7	Confident	72 Å²	72	58.6 Å²	58.6	50%	0.503	29%	0.285	S	S	.	.	H	α-helix	trans	-64.5	-47.3	175.8	-61	0	0	0	0	111	N373 N378 N379	N373-S375 PolarHBondContact O-N 3.29Å; N373-S375 VanDerWaalsContact O-N 3.11Å; N373-S375 PolarHBondContact OD1-N 3.17Å; N373-S375 VanDerWaalsContact OD1-N 3.15Å; S375-N378 PolarHBondContact O-N 3.49Å; S375-N379 WeakPolarHBondContact O-CB 3.46Å; S375-N379 VanDerWaalsContact O-CG 3.25Å; S375-N379 PolarHBondContact O-N 3.19Å
376	N	88.4	Confident	84.9	Confident	55 Å²	55	58.4 Å²	58.4	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-64.6	-43.1	177.4	-62.2	9.5	0	0	0	110.5	N373 N378 N379 L380 V452	N373-N376 HydrophobicContact CB-CB 4.29Å; N373-N376 PolarHBondContact ND2-OD1 3.31Å; N373-N376 PolarHBondContact O-N 3.11Å; N376-N378 VanDerWaalsContact C-N 3.33Å; N376-N378 PolarHBondContact O-N 3.01Å; N376-N379 PolarHBondContact O-N 3.45Å; N376-L380 WeakPolarHBondContact O-CB 3.36Å; N376-L380 PolarHBondContact O-N 3.31Å; N376-V452 HydrophobicContact CB-CG1 3.98Å; N376-V452 HydrophobicContact CB-CG2 3.99Å
377	V	87.9	Confident	83.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-39.6	176.7	-162.9	0	0	0	0	111.3	N373 E381 V452 C455 L456 R459	N373-V377 WeakPolarHBondContact O-CG2 3.19Å; N373-V377 PolarHBondContact O-N 2.92Å; V377-E381 VanDerWaalsContact O-CB 3.25Å; V377-E381 WeakPolarHBondContact O-CB 3.46Å; V377-E381 PolarHBondContact O-N 3.44Å; V377-V452 HydrophobicContact CB-CG1 4.38Å; V377-V452 HydrophobicContact CG2-CB 4.42Å; V377-V452 HydrophobicContact CG2-CG1 3.9Å; V377-C455 HydrophobicContact CG2-CB 4.12Å; V377-L456 HydrophobicContact CG1-CB 3.78Å; V377-L456 HydrophobicContact CG1-CD1 3.9Å; V377-L456 HydrophobicContact CG1-CG 4.41Å; V377-R459 VanDerWaalsContact CG1-NH1 3.27Å
378	N	87.6	Confident	81	Confident	57 Å²	57	66.2 Å²	66.2	31%	0.305	34%	0.338	S	S	.	.	H	α-helix	trans	-67.1	-38.2	176.6	-75.4	-17.9	0	0	0	112.3	Q374 S375 N376 K382 R459	Q374-N378 PolarHBondContact NE2-OD1 2.95Å; Q374-N378 VanDerWaalsContact O-CB 3.3Å; Q374-N378 WeakPolarHBondContact O-CB 3.26Å; Q374-N378 PolarHBondContact O-N 2.89Å; Q374-N378 PolarHBondContact O-ND2 3.4Å; S375-N378 PolarHBondContact O-N 3.49Å; N376-N378 VanDerWaalsContact C-N 3.33Å; N376-N378 PolarHBondContact O-N 3.01Å; N378-K382 WeakPolarHBondContact O-CG 3.31Å; N378-K382 PolarHBondContact O-N 3.12Å; N378-R459 PolarHBondContact OD1-NH1 3.15Å
379	N	87.8	Confident	78.7	Confident	80 Å²	80	66.8 Å²	66.8	43%	0.428	35%	0.35	S	S	.	.	H	α-helix	trans	-70.3	-46.5	179.2	-71.5	-12.7	0	0	0	110.9	S375 N376 E381 K382 I383	S375-N379 WeakPolarHBondContact O-CB 3.46Å; S375-N379 VanDerWaalsContact O-CG 3.25Å; S375-N379 PolarHBondContact O-N 3.19Å; N376-N379 PolarHBondContact O-N 3.45Å; N379-E381 VanDerWaalsContact C-N 3.31Å; N379-E381 PolarHBondContact O-N 3.18Å; N379-K382 WeakPolarHBondContact O-CB 3.38Å; N379-K382 PolarHBondContact O-N 3.11Å; N379-K382 VanDerWaalsContact O-N 3.11Å; N379-I383 WeakPolarHBondContact O-CG1 3.34Å; N379-I383 PolarHBondContact O-N 3.11Å
380	L	88.5	Confident	76.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-60	-39.7	174.2	-175.6	58.7	0	0	0	111.9	N376 K382 I383 L384 I444 L445 H448 V452 I453 L456	N376-L380 WeakPolarHBondContact O-CB 3.36Å; N376-L380 PolarHBondContact O-N 3.31Å; L380-K382 PolarHBondContact O-N 3.43Å; L380-I383 PolarHBondContact O-N 2.81Å; L380-L384 HydrophobicContact CD1-CD1 4.01Å; L380-L384 HydrophobicContact CD1-CG 4.26Å; L380-L384 HydrophobicContact CG-CD1 4.01Å; L380-L384 WeakPolarHBondContact O-CB 3.39Å; L380-L384 WeakPolarHBondContact O-CG 3.48Å; L380-L384 PolarHBondContact O-N 3.35Å; L380-I444 HydrophobicContact CD1-CG2 3.59Å; L380-L445 HydrophobicContact CD2-CD2 4.36Å; L380-H448 HydrophobicContact CD2-CB 4.2Å; L380-V452 HydrophobicContact CD2-CG1 4.32Å; L380-I453 HydrophobicContact CD2-CG1 4.09Å; L380-L456 HydrophobicContact CB-CD2 4.26Å; L380-L456 HydrophobicContact CD2-CD2 3.55Å; L380-L456 HydrophobicContact CG-CD2 3.57Å
381	E	86.8	Confident	74.7	Confident	13 Å²	13	61.9 Å²	61.9	6%	0.061	35%	0.345	C	S	.	.	H	α-helix	trans	-65.4	-34.5	174.7	-169.3	167.5	-157	0	0	113.1	V377 N379 F385 L456 R459 R463	V377-E381 VanDerWaalsContact O-CB 3.25Å; V377-E381 WeakPolarHBondContact O-CB 3.46Å; V377-E381 PolarHBondContact O-N 3.44Å; N379-E381 VanDerWaalsContact C-N 3.31Å; N379-E381 PolarHBondContact O-N 3.18Å; E381-F385 HydrophobicContact CG-CD2 4.17Å; E381-F385 PolarHBondContact O-N 2.94Å; E381-F385 VanDerWaalsContact O-N 3.09Å; E381-L456 HydrophobicContact CB-CD1 3.74Å; E381-L456 HydrophobicContact CG-CD1 4.05Å; E381-R459 WeakPolarHBondContact OE2-CD 3.25Å; E381-R459 IonicContact OE2-NH1 3.66Å; E381-R463 VanDerWaalsContact CD-CZ 3.45Å; E381-R463 WeakPolarHBondContact OE1-CD 3.45Å; E381-R463 IonicContact OE1-CZ 3.21Å; E381-R463 IonicContact OE1-NE 3.17Å; E381-R463 PolarHBondContact OE1-NE 3Å; E381-R463 IonicContact OE1-NH1 3.82Å; E381-R463 PolarHBondContact OE1-NH1 3.39Å; E381-R463 IonicContact OE1-NH2 3.18Å; E381-R463 IonicContact OE2-CZ 2.77Å; E381-R463 IonicContact OE2-NE 3.08Å; E381-R463 IonicContact OE2-NH1 3.37Å; E381-R463 PolarHBondContact OE2-NH1 2.98Å; E381-R463 VanDerWaalsContact OE2-NH1 3.12Å; E381-R463 IonicContact OE2-NH2 2.68Å; E381-R463 PolarHBondContact OE2-NH2 2.89Å
382	K	86.1	Confident	72.4	Confident	122 Å²	122	60.6 Å²	60.6	53%	0.53	34%	0.338	S	S	.	.	H	α-helix	trans	-69.1	-45.7	171.8	-74.3	169.9	-178.9	177	0	111.8	N378 N379 L380 L384 H386	N378-K382 WeakPolarHBondContact O-CG 3.31Å; N378-K382 PolarHBondContact O-N 3.12Å; N379-K382 WeakPolarHBondContact O-CB 3.38Å; N379-K382 PolarHBondContact O-N 3.11Å; N379-K382 VanDerWaalsContact O-N 3.11Å; L380-K382 PolarHBondContact O-N 3.43Å; K382-L384 VanDerWaalsContact C-N 3.32Å; K382-L384 PolarHBondContact O-N 3.2Å; K382-H386 WeakPolarHBondContact O-CA 3.21Å; K382-H386 VanDerWaalsContact O-CB 3.28Å; K382-H386 WeakPolarHBondContact O-CB 3.46Å; K382-H386 PolarHBondContact O-N 3.21Å
383	I	85.1	Confident	70.3	Confident	52 Å²	52	64.8 Å²	64.8	27%	0.267	36%	0.362	S	S	.	.	H	α-helix	trans	-57.7	-48.4	179	-68.9	162.6	0	0	0	109.6	N379 L380 Q387 I444	N379-I383 WeakPolarHBondContact O-CG1 3.34Å; N379-I383 PolarHBondContact O-N 3.11Å; L380-I383 PolarHBondContact O-N 2.81Å; I383-Q387 WeakPolarHBondContact O-CG 3.1Å; I383-I444 HydrophobicContact CG2-CD1 3.91Å; I383-I444 HydrophobicContact CG2-CG1 4.46Å; I383-I444 HydrophobicContact CG2-CG2 3.86Å
384	L	84.6	Confident	67.4	Low	4 Å²	4	64.8 Å²	64.8	2%	0.021	37%	0.369	C	S	.	.	H	α-helix	trans	-70.5	-42.9	-177.6	-67.9	167.8	0	0	0	113.4	Y344 V348 I352 L380 K382 I441 L456	Y344-L384 WeakPolarHBondContact CE1-O 3.27Å; Y344-L384 VanDerWaalsContact CZ-O 3.29Å; Y344-L384 PolarHBondContact OH-O 3.38Å; V348-L384 HydrophobicContact CG1-CB 4.44Å; V348-L384 HydrophobicContact CG1-CD1 4.12Å; V348-L384 HydrophobicContact CG1-CD2 4.46Å; I352-L384 HydrophobicContact CD1-CD1 4.36Å; L380-L384 HydrophobicContact CD1-CD1 4.01Å; L380-L384 HydrophobicContact CD1-CG 4.26Å; L380-L384 HydrophobicContact CG-CD1 4.01Å; L380-L384 WeakPolarHBondContact O-CB 3.39Å; L380-L384 WeakPolarHBondContact O-CG 3.48Å; L380-L384 PolarHBondContact O-N 3.35Å; K382-L384 VanDerWaalsContact C-N 3.32Å; K382-L384 PolarHBondContact O-N 3.2Å; L384-I441 HydrophobicContact CD2-CG1 4.19Å; L384-I441 HydrophobicContact CD2-CG2 4.02Å; L384-L456 HydrophobicContact CD1-CD2 3.76Å
385	F	82.2	Confident	64.8	Low	68 Å²	68	68.3 Å²	68.3	30%	0.298	38%	0.383	S	S	.	.	H	α-helix	trans	-106.9	-11.4	-171.8	-67.5	-78.4	0	0	0	116.3	Y344 W345 V348 E381 I460	Y344-F385 HydrophobicContact CD1-CD1 4.35Å; Y344-F385 HydrophobicContact CD1-CE1 4.42Å; Y344-F385 HydrophobicContact CE1-CD1 4.19Å; Y344-F385 HydrophobicContact CE1-CE1 4.43Å; W345-F385 HydrophobicContact CB-CE1 4.49Å; V348-F385 HydrophobicContact CB-CZ 4.28Å; V348-F385 HydrophobicContact CG1-CE2 4.26Å; V348-F385 HydrophobicContact CG1-CZ 3.9Å; E381-F385 HydrophobicContact CG-CD2 4.17Å; E381-F385 PolarHBondContact O-N 2.94Å; E381-F385 VanDerWaalsContact O-N 3.09Å; F385-I460 HydrophobicContact CE2-CD1 3.61Å; F385-I460 HydrophobicContact CE2-CG1 3.87Å; F385-I460 HydrophobicContact CE2-CG2 4.49Å; F385-I460 HydrophobicContact CZ-CD1 4.03Å; F385-I460 HydrophobicContact CZ-CG1 4.31Å; F385-I460 HydrophobicContact CZ-CG2 4.1Å
386	H	69.2	Low	62	Low	131 Å²	131	70.5 Å²	70.5	61%	0.606	39%	0.394	S	S	*	.	H	α-helix	trans	-121.4	3.3	-172.4	-59.4	68.2	0	0	0	114.1	K382 P388	K382-H386 WeakPolarHBondContact O-CA 3.21Å; K382-H386 VanDerWaalsContact O-CB 3.28Å; K382-H386 WeakPolarHBondContact O-CB 3.46Å; K382-H386 PolarHBondContact O-N 3.21Å; H386-P388 VanDerWaalsContact O-CD 3.3Å; H386-P388 WeakPolarHBondContact O-CD 3.19Å
387	Q	54.1	Low	59.1	Low	90 Å²	90	73.6 Å²	73.6	42%	0.421	42%	0.419	S	S	.	.			trans	-70.7	120.5	170.1	-82	-169.1	-4.7	0	0	110.6	I383 G389 L390	I383-Q387 WeakPolarHBondContact O-CG 3.1Å; Q387-G389 PolarHBondContact O-N 3.01Å; Q387-L390 HydrophobicContact CB-CD1 4.04Å; Q387-L390 VanDerWaalsContact OE1-CD1 3.22Å
388	P	38	Very low	56.3	Low	124 Å²	124	78.9 Å²	78.9	81%	0.805	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	16.7	-175.7	-19.6	34.2	0	0	0	116.2	H386	H386-P388 VanDerWaalsContact O-CD 3.3Å; H386-P388 WeakPolarHBondContact O-CD 3.19Å
389	G	39.9	Very low	53.5	Low	33 Å²	33	83.2 Å²	83.2	34%	0.34	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-17	-169.6	0	0	0	0	0	116.6	Q387	Q387-G389 PolarHBondContact O-N 3.01Å
390	L	47.8	Very low	50.9	Low	39 Å²	39	88 Å²	88	20%	0.204	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-29.4	179.9	-74.3	99.6	0	0	0	113.8	Y344 Q387	Y344-L390 HydrophobicContact CE2-CB 4.28Å; Q387-L390 HydrophobicContact CB-CD1 4.04Å; Q387-L390 VanDerWaalsContact OE1-CD1 3.22Å
391	S	36.2	Very low	48.2	Very low	71 Å²	71	94.4 Å²	94.4	50%	0.497	53%	0.534	S	S	.	.	S	Bend	trans	-87.2	-7.4	-177.3	51.7	0	0	0	0	114.2
392	S	31.2	Very low	45.5	Very low	76 Å²	76	100 Å²	100	53%	0.531	57%	0.57	S	S	.	*	S	Bend	trans	-166.1	103.9	177.5	56	0	0	0	0	111.7
393	T	34	Very low	43	Very low	99 Å²	99	99.9 Å²	99.9	61%	0.607	58%	0.584	S	S	*	*			trans	179.6	145.5	133.2	22.9	0	0	0	0	112	F395	T393-F395 PolarHBondContact O-N 3.4Å
394	S	27	Very low	40.5	Very low	89 Å²	89	104.4 Å²	104.4	62%	0.622	61%	0.609	S	S	*	*			trans	-63	116.6	160.4	46	0	0	0	0	110.2	T396	S394-T396 PolarHBondContact O-N 3.31Å
395	F	29.5	Very low	38.1	Very low	160 Å²	160	110.9 Å²	110.9	70%	0.702	64%	0.643	S	S	*	*			trans	-72.7	78.6	165.5	-62.8	-73.4	0	0	0	109.8	T393 S397	T393-F395 PolarHBondContact O-N 3.4Å; F395-S397 PolarHBondContact O-N 2.96Å
396	T	29.8	Very low	35.9	Very low	118 Å²	118	113.2 Å²	113.2	72%	0.724	66%	0.663	S	S	*	*			trans	-60.9	117.8	161.4	16.3	0	0	0	0	108.2	S394 S398	S394-T396 PolarHBondContact O-N 3.31Å; T396-S398 PolarHBondContact O-N 3.37Å
397	S	27.4	Very low	34	Very low	119 Å²	119	112.2 Å²	112.2	83%	0.832	67%	0.671	S	S	*	*			trans	-59	119.9	179	-46.8	0	0	0	0	110.4	F395	F395-S397 PolarHBondContact O-N 2.96Å
398	S	30.5	Very low	33.1	Very low	111 Å²	111	113.6 Å²	113.6	78%	0.776	69%	0.69	S	S	*	*			trans	-140.1	81.7	167.9	-71.5	0	0	0	0	109.1	T396 M400	T396-S398 PolarHBondContact O-N 3.37Å; S398-M400 PolarHBondContact O-N 2.93Å
399	N	28.3	Very low	32.8	Very low	149 Å²	149	112.8 Å²	112.8	80%	0.797	69%	0.688	S	S	*	*			trans	-66.1	114.6	158.6	-75	-17.1	0	0	0	108.2
400	M	32.5	Very low	32.5	Very low	179 Å²	179	117.2 Å²	117.2	88%	0.882	71%	0.714	S	S	*	*			trans	-136.7	107.5	148	-72	-166.1	175.8	0	0	105.2	S398	S398-M400 PolarHBondContact O-N 2.93Å
401	I	33.1	Very low	31.7	Very low	136 Å²	136	120 Å²	120	70%	0.697	74%	0.737	S	S	*	*				53.8	86.6	58.8	-49.8	-177.3	0	0	0	110.1
402	T	29.6	Very low	31.4	Very low	131 Å²	131	124.7 Å²	124.7	80%	0.804	76%	0.755	S	S	*	*			trans	2.2	115.6	143	50.5	0	0	0	0	117.6
403	S	33.1	Very low	31.4	Very low	119 Å²	119	126.1 Å²	126.1	83%	0.832	77%	0.765	S	S	*	*			trans	-164.6	145.5	136.3	50.3	0	0	0	0	112.1
404	N	32.5	Very low	31.1	Very low	147 Å²	147	131.4 Å²	131.4	79%	0.786	78%	0.78	S	S	*	*			trans	-70.2	162	-174.3	-64.8	-34.1	0	0	0	115
405	N	33.7	Very low	31.5	Very low	140 Å²	140	133 Å²	133	75%	0.749	79%	0.788	S	S	*	*			trans	81.2	133.3	143	-69.5	-7.2	0	0	0	122.5
406	T	35.8	Very low	31.4	Very low	117 Å²	117	133.3 Å²	133.3	72%	0.718	80%	0.795	S	S	*	*			trans	61.8	91.7	143.6	52.5	0	0	0	0	119.8
407	S	30.9	Very low	31.5	Very low	109 Å²	109	133 Å²	133	76%	0.762	80%	0.799	S	S	*	*				21.5	106.3	122.8	58.1	0	0	0	0	118.6
408	S	35.5	Very low	31.8	Very low	119 Å²	119	132.3 Å²	132.3	83%	0.832	79%	0.794	S	S	*	*				-175	158.8	118.3	42.1	0	0	0	0	112.1
409	S	30.2	Very low	31.7	Very low	108 Å²	108	135.3 Å²	135.3	76%	0.755	80%	0.801	S	S	*	*			trans	-51	140.2	176.5	49.1	0	0	0	0	116
410	S	35.1	Very low	31.9	Very low	125 Å²	125	133.4 Å²	133.4	87%	0.874	80%	0.799	S	S	*	*				-177	169.9	115.5	40.5	0	0	0	0	112.4
411	S	29.6	Very low	32	Very low	99 Å²	99	132.7 Å²	132.7	69%	0.692	80%	0.798	S	S	*	*			trans	-91.5	-177.8	-167.4	48.5	0	0	0	0	114.1
412	L	30.9	Very low	32.1	Very low	168 Å²	168	134 Å²	134	88%	0.88	80%	0.801	S	S	*	*			trans	82.7	144	172.2	-48.7	162.1	0	0	0	113.2
413	S	30	Very low	32.4	Very low	106 Å²	106	137.7 Å²	137.7	74%	0.741	81%	0.806	S	S	*	*			cis	-154.8	156.6	3.8	46.8	0	0	0	0	110.6
414	F	29.2	Very low	32.4	Very low	210 Å²	210	141.7 Å²	141.7	92%	0.921	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-96.2	126.2	171.2	-73.2	-82.1	0	0	0	111.1
415	P	33.4	Very low	32.6	Very low	122 Å²	122	140 Å²	140	79%	0.792	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-92.8	129.7	165.1	32.9	-28.7	0	0	0	111.7
416	I	28.6	Very low	32.9	Very low	167 Å²	167	136.1 Å²	136.1	86%	0.856	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-90.2	116.3	168.8	-62.8	167.4	0	0	0	108.4
417	S	31.8	Very low	32.9	Very low	113 Å²	113	133.1 Å²	133.1	79%	0.79	76%	0.759	S	S	*	*			trans	178.2	147.4	162.3	-83.5	0	0	0	0	109.1
418	S	33.8	Very low	33.1	Very low	104 Å²	104	137.2 Å²	137.2	73%	0.727	76%	0.757	S	S	*	*			cis	-159.3	136.8	-15	48	0	0	0	0	108.3	S420	S418-S420 PolarHBondContact O-N 3.06Å
419	N	28.7	Very low	33	Very low	174 Å²	174	136.8 Å²	136.8	93%	0.93	74%	0.742	S	S	*	*			trans	-75.6	117.4	-180	-81.2	-35.7	0	0	0	110.8
420	S	31.2	Very low	33.4	Very low	108 Å²	108	138.4 Å²	138.4	76%	0.755	73%	0.733	S	S	*	*	S	Bend	trans	-169	5	155.7	47.4	0	0	0	0	119.1	S418	S418-S420 PolarHBondContact O-N 3.06Å
421	L	35.9	Very low	33.6	Very low	165 Å²	165	139.4 Å²	139.4	86%	0.864	72%	0.723	S	S	*	*	S	Bend	trans	-147.7	25.6	-173.4	-140.9	74.1	0	0	0	120.4
422	E	35.5	Very low	34.1	Very low	163 Å²	163	139.3 Å²	139.3	76%	0.762	72%	0.715	S	S	*	*			trans	-104.2	-5	-172.9	-67.5	-157.8	133.8	0	0	117.7	Y424 N425	E422-Y424 PolarHBondContact O-N 3.02Å; E422-N425 PolarHBondContact O-N 3Å
423	K	35	Very low	34.9	Very low	208 Å²	208	134.1 Å²	134.1	90%	0.904	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-6.4	-167.7	-127.8	174.9	-174.2	178	0	116.4
424	Y	34	Very low	36	Very low	204 Å²	204	133 Å²	133	80%	0.8	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-19	178.9	-113.3	-88.8	0	0	0	114.3	E422	E422-Y424 PolarHBondContact O-N 3.02Å
425	N	37	Very low	37.5	Very low	110 Å²	110	126 Å²	126	59%	0.588	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-18.5	-174.7	-79.8	-23.3	0	0	0	114.2	E422 N427 H429	E422-N425 PolarHBondContact O-N 3Å; N425-N427 PolarHBondContact O-N 3.09Å; N425-H429 PolarHBondContact O-N 2.89Å
426	S	39.9	Very low	38.8	Very low	59 Å²	59	123.6 Å²	123.6	41%	0.413	63%	0.626	S	S	.	*	H	α-helix	trans	-63	-37.7	-175.8	-47.1	0	0	0	0	113.6	H429 Y430	S426-H429 WeakPolarHBondContact O-CB 3.29Å; S426-H429 PolarHBondContact O-N 3.49Å; S426-Y430 VanDerWaalsContact O-CD2 3.24Å; S426-Y430 WeakPolarHBondContact O-CD2 3.34Å; S426-Y430 PolarHBondContact O-N 3.06Å
427	N	34.8	Very low	40.5	Very low	54 Å²	54	118.2 Å²	118.2	29%	0.289	60%	0.597	S	S	.	*	H	α-helix	trans	-73.7	-36.2	-173.6	-82.6	19.7	0	0	0	113.6	I277 T281 N425 H429 Y430 E431	I277-N427 PolarHBondContact O-ND2 3.35Å; I277-N427 VanDerWaalsContact O-ND2 3.07Å; T281-N427 WeakPolarHBondContact CG2-ND2 3.43Å; N425-N427 PolarHBondContact O-N 3.09Å; N427-H429 VanDerWaalsContact C-N 3.25Å; N427-H429 PolarHBondContact O-N 3.47Å; N427-Y430 PolarHBondContact O-N 2.93Å; N427-E431 PolarHBondContact O-N 3.33Å
428	R	34.5	Very low	42.3	Very low	196 Å²	196	114.2 Å²	114.2	74%	0.74	57%	0.566	S	S	*	*	H	α-helix	trans	-64.5	-33	169.7	-76.3	-170.6	179	-175.8	1.5	111.7	N432	R428-N432 VanDerWaalsContact O-CB 3.22Å; R428-N432 WeakPolarHBondContact O-CB 3.33Å; R428-N432 VanDerWaalsContact O-CG 3.23Å; R428-N432 PolarHBondContact O-N 3.15Å; R428-N432 PolarHBondContact O-ND2 2.91Å
429	H	33.9	Very low	44.2	Very low	109 Å²	109	113.5 Å²	113.5	51%	0.505	55%	0.554	S	S	.	*	H	α-helix	trans	-63.7	-40.3	177.7	-110.3	-74.8	0	0	0	112.8	N425 S426 N427 Q433	N425-H429 PolarHBondContact O-N 2.89Å; S426-H429 WeakPolarHBondContact O-CB 3.29Å; S426-H429 PolarHBondContact O-N 3.49Å; N427-H429 VanDerWaalsContact C-N 3.25Å; N427-H429 PolarHBondContact O-N 3.47Å; H429-Q433 VanDerWaalsContact O-CB 3.25Å; H429-Q433 WeakPolarHBondContact O-CB 3.32Å; H429-Q433 WeakPolarHBondContact O-CG 3.22Å; H429-Q433 PolarHBondContact O-N 3.18Å
430	Y	38.2	Very low	46.6	Very low	143 Å²	143	108.3 Å²	108.3	56%	0.561	53%	0.527	S	S	*	.	H	α-helix	trans	-71.7	-40.6	179.5	-77.4	-66.9	0	0	0	113.8	S426 N427 Q433 F434	S426-Y430 VanDerWaalsContact O-CD2 3.24Å; S426-Y430 WeakPolarHBondContact O-CD2 3.34Å; S426-Y430 PolarHBondContact O-N 3.06Å; N427-Y430 PolarHBondContact O-N 2.93Å; Y430-Q433 PolarHBondContact O-N 3.06Å; Y430-F434 PolarHBondContact O-N 3.25Å
431	E	40.2	Very low	49	Very low	145 Å²	145	103.2 Å²	103.2	68%	0.678	49%	0.491	S	S	*	.	H	α-helix	trans	-70.5	-37.7	178.3	-164.6	167.2	-152.6	0	0	111.5	N427 T435	N427-E431 PolarHBondContact O-N 3.33Å; E431-T435 WeakPolarHBondContact O-CG2 3.42Å; E431-T435 PolarHBondContact O-N 3.25Å; E431-T435 VanDerWaalsContact O-N 3.11Å; E431-T435 PolarHBondContact O-OG1 2.59Å
432	N	39	Very low	51.1	Low	98 Å²	98	96.1 Å²	96.1	52%	0.524	45%	0.454	S	S	.	.	H	α-helix	trans	-68.2	-35.2	170.6	-71.2	-14.7	0	0	0	112.5	R428 T435 T436	R428-N432 VanDerWaalsContact O-CB 3.22Å; R428-N432 WeakPolarHBondContact O-CB 3.33Å; R428-N432 VanDerWaalsContact O-CG 3.23Å; R428-N432 PolarHBondContact O-N 3.15Å; R428-N432 PolarHBondContact O-ND2 2.91Å; N432-T435 WeakPolarHBondContact CA-OG1 3.14Å; N432-T435 PolarHBondContact O-OG1 3.42Å; N432-T435 VanDerWaalsContact O-OG1 3.1Å; N432-T436 WeakPolarHBondContact O-CB 3.45Å; N432-T436 PolarHBondContact O-N 2.82Å; N432-T436 PolarHBondContact O-OG1 3.45Å
433	Q	47.8	Very low	53.3	Low	58 Å²	58	96.9 Å²	96.9	27%	0.271	45%	0.45	S	S	.	.	H	α-helix	trans	-64.4	-49.6	173.8	-83.9	166.8	0.1	0	0	111.4	H429 Y430 T435 T436 E437	H429-Q433 VanDerWaalsContact O-CB 3.25Å; H429-Q433 WeakPolarHBondContact O-CB 3.32Å; H429-Q433 WeakPolarHBondContact O-CG 3.22Å; H429-Q433 PolarHBondContact O-N 3.18Å; Y430-Q433 PolarHBondContact O-N 3.06Å; Q433-T435 VanDerWaalsContact C-N 3.33Å; Q433-T435 PolarHBondContact O-N 2.72Å; Q433-T436 PolarHBondContact O-N 3.11Å; Q433-T436 VanDerWaalsContact O-N 3.15Å; Q433-E437 WeakPolarHBondContact O-CB 3.42Å; Q433-E437 WeakPolarHBondContact O-CG 3.43Å; Q433-E437 PolarHBondContact O-N 2.89Å
434	F	54	Low	55.7	Low	84 Å²	84	88.4 Å²	88.4	37%	0.368	41%	0.414	S	S	.	.	H	α-helix	trans	-61.4	-41	-179.6	-174.5	-96.6	0	0	0	112.5	T347 Y430 M438	T347-F434 HydrophobicContact CG2-CD2 4.42Å; T347-F434 HydrophobicContact CG2-CE2 3.86Å; T347-F434 HydrophobicContact CG2-CZ 4.36Å; Y430-F434 PolarHBondContact O-N 3.25Å; F434-M438 WeakPolarHBondContact O-CB 3.33Å; F434-M438 PolarHBondContact O-N 3.3Å
435	T	60.3	Low	58.1	Low	62 Å²	62	78.7 Å²	78.7	38%	0.38	38%	0.376	S	S	.	.	H	α-helix	trans	-69.9	-37.1	174.9	50.6	0	0	0	0	112.4	E431 N432 Q433 M438 N439	E431-T435 WeakPolarHBondContact O-CG2 3.42Å; E431-T435 PolarHBondContact O-N 3.25Å; E431-T435 VanDerWaalsContact O-N 3.11Å; E431-T435 PolarHBondContact O-OG1 2.59Å; N432-T435 WeakPolarHBondContact CA-OG1 3.14Å; N432-T435 PolarHBondContact O-OG1 3.42Å; N432-T435 VanDerWaalsContact O-OG1 3.1Å; Q433-T435 VanDerWaalsContact C-N 3.33Å; Q433-T435 PolarHBondContact O-N 2.72Å; T435-M438 PolarHBondContact O-N 2.94Å; T435-N439 WeakPolarHBondContact O-CB 3.4Å; T435-N439 PolarHBondContact O-N 3.43Å; T435-N439 PolarHBondContact O-ND2 2.82Å; T435-N439 VanDerWaalsContact O-ND2 3.09Å
436	T	60.7	Low	60.4	Low	72 Å²	72	79 Å²	79	44%	0.442	37%	0.374	S	S	.	.	H	α-helix	trans	-68.7	-44.2	176.9	-59	0	0	0	0	112.1	N432 Q433 N439 N440	N432-T436 WeakPolarHBondContact O-CB 3.45Å; N432-T436 PolarHBondContact O-N 2.82Å; N432-T436 PolarHBondContact O-OG1 3.45Å; Q433-T436 PolarHBondContact O-N 3.11Å; Q433-T436 VanDerWaalsContact O-N 3.15Å; T436-N439 PolarHBondContact O-N 3.42Å; T436-N440 WeakPolarHBondContact O-CB 3.46Å; T436-N440 VanDerWaalsContact O-CG 3.23Å; T436-N440 PolarHBondContact O-N 2.81Å; T436-N440 PolarHBondContact O-ND2 3.38Å
437	E	65.1	Low	62.6	Low	53 Å²	53	83.7 Å²	83.7	25%	0.248	39%	0.389	C	S	.	.	H	α-helix	trans	-58	-47.5	172.3	-76.3	176	-153.3	0	0	111.1	Q433 N439 N440 I441	Q433-E437 WeakPolarHBondContact O-CB 3.42Å; Q433-E437 WeakPolarHBondContact O-CG 3.43Å; Q433-E437 PolarHBondContact O-N 2.89Å; E437-N439 PolarHBondContact O-N 2.83Å; E437-N440 PolarHBondContact O-N 3.26Å; E437-I441 VanDerWaalsContact O-CG1 3.32Å; E437-I441 WeakPolarHBondContact O-CG1 3.47Å; E437-I441 PolarHBondContact O-N 3.4Å
438	M	69.2	Low	65	Low	29 Å²	29	82.9 Å²	82.9	14%	0.143	38%	0.383	C	S	.	.	H	α-helix	trans	-62.8	-42.7	178.3	-174.4	174	163.8	0	0	112	A351 R354 F434 T435 N440 I441 D442	A351-M438 HydrophobicContact CB-CG 4.44Å; R354-M438 HydrophobicContact CB-CE 4.43Å; F434-M438 WeakPolarHBondContact O-CB 3.33Å; F434-M438 PolarHBondContact O-N 3.3Å; T435-M438 PolarHBondContact O-N 2.94Å; M438-N440 VanDerWaalsContact C-N 3.33Å; M438-N440 PolarHBondContact O-N 3.38Å; M438-I441 PolarHBondContact O-N 2.83Å; M438-D442 WeakPolarHBondContact O-CB 3.34Å; M438-D442 PolarHBondContact O-N 3.46Å
439	N	72.9	Confident	67.5	Low	89 Å²	89	78.2 Å²	78.2	48%	0.476	37%	0.373	S	S	.	.	H	α-helix	trans	-63.9	-36.2	175.9	-73.5	-30.9	0	0	0	112.7	T435 T436 E437 R443	T435-N439 WeakPolarHBondContact O-CB 3.4Å; T435-N439 PolarHBondContact O-N 3.43Å; T435-N439 PolarHBondContact O-ND2 2.82Å; T435-N439 VanDerWaalsContact O-ND2 3.09Å; T436-N439 PolarHBondContact O-N 3.42Å; E437-N439 PolarHBondContact O-N 2.83Å; N439-R443 WeakPolarHBondContact O-CG 3.19Å; N439-R443 PolarHBondContact O-N 2.78Å; N439-R443 VanDerWaalsContact O-N 3.08Å
440	N	79.2	Confident	70	Confident	65 Å²	65	74 Å²	74	35%	0.348	36%	0.355	S	S	.	.	H	α-helix	trans	-68.5	-42	175.5	-72.1	-22	0	0	0	111.5	T436 E437 M438 R443 I444	T436-N440 WeakPolarHBondContact O-CB 3.46Å; T436-N440 VanDerWaalsContact O-CG 3.23Å; T436-N440 PolarHBondContact O-N 2.81Å; T436-N440 PolarHBondContact O-ND2 3.38Å; E437-N440 PolarHBondContact O-N 3.26Å; M438-N440 VanDerWaalsContact C-N 3.33Å; M438-N440 PolarHBondContact O-N 3.38Å; N440-R443 PolarHBondContact O-N 3.24Å; N440-I444 WeakPolarHBondContact O-CD1 3.45Å; N440-I444 WeakPolarHBondContact O-CG1 3.33Å; N440-I444 PolarHBondContact O-N 3.45Å
441	I	81.5	Confident	72.4	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-47.1	173.9	-66.6	161.2	0	0	0	110.3	T347 V348 A351 L384 E437 M438 R443 I444 L445	T347-I441 HydrophobicContact CG2-CD1 4.32Å; V348-I441 HydrophobicContact CG2-CD1 3.97Å; A351-I441 HydrophobicContact CB-CB 4.37Å; A351-I441 HydrophobicContact CB-CG2 3.69Å; L384-I441 HydrophobicContact CD2-CG1 4.19Å; L384-I441 HydrophobicContact CD2-CG2 4.02Å; E437-I441 VanDerWaalsContact O-CG1 3.32Å; E437-I441 WeakPolarHBondContact O-CG1 3.47Å; E437-I441 PolarHBondContact O-N 3.4Å; M438-I441 PolarHBondContact O-N 2.83Å; I441-R443 VanDerWaalsContact C-N 3.3Å; I441-R443 PolarHBondContact O-N 3.32Å; I441-I444 PolarHBondContact O-N 2.92Å; I441-I444 VanDerWaalsContact O-N 3.14Å; I441-L445 HydrophobicContact CG2-CD1 3.82Å; I441-L445 HydrophobicContact CG2-CG 4.17Å; I441-L445 VanDerWaalsContact O-CG 3.31Å; I441-L445 WeakPolarHBondContact O-CG 3.18Å; I441-L445 PolarHBondContact O-N 2.79Å
442	D	80.7	Confident	74.8	Confident	16 Å²	16	62 Å²	62	9%	0.086	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-40.3	179	-79.8	-4.3	0	0	0	111.6	M438 L445 H446	M438-D442 WeakPolarHBondContact O-CB 3.34Å; M438-D442 PolarHBondContact O-N 3.46Å; D442-L445 PolarHBondContact O-N 2.81Å; D442-H446 PolarHBondContact O-CD2 3.02Å; D442-H446 PolarHBondContact O-N 3.16Å
443	R	82.4	Confident	77.3	Confident	179 Å²	179	57.3 Å²	57.3	68%	0.675	28%	0.283	S	S	*	.	H	α-helix	trans	-60	-48.4	173.5	-75.6	173.6	178.1	-169	-1.1	112.5	N439 N440 I441 L445 H446	N439-R443 WeakPolarHBondContact O-CG 3.19Å; N439-R443 PolarHBondContact O-N 2.78Å; N439-R443 VanDerWaalsContact O-N 3.08Å; N440-R443 PolarHBondContact O-N 3.24Å; I441-R443 VanDerWaalsContact C-N 3.3Å; I441-R443 PolarHBondContact O-N 3.32Å; R443-L445 VanDerWaalsContact C-N 3.28Å; R443-L445 PolarHBondContact O-N 3.34Å; R443-H446 WeakPolarHBondContact O-CB 3.41Å; R443-H446 PolarHBondContact O-N 3.2Å
444	I	83.5	Confident	79.3	Confident	31 Å²	31	54.6 Å²	54.6	16%	0.159	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-37.4	178.3	-65.1	160.7	0	0	0	111	L380 I383 N440 I441 E447 H448	L380-I444 HydrophobicContact CD1-CG2 3.59Å; I383-I444 HydrophobicContact CG2-CD1 3.91Å; I383-I444 HydrophobicContact CG2-CG1 4.46Å; I383-I444 HydrophobicContact CG2-CG2 3.86Å; N440-I444 WeakPolarHBondContact O-CD1 3.45Å; N440-I444 WeakPolarHBondContact O-CG1 3.33Å; N440-I444 PolarHBondContact O-N 3.45Å; I441-I444 PolarHBondContact O-N 2.92Å; I441-I444 VanDerWaalsContact O-N 3.14Å; I444-E447 PolarHBondContact O-N 3.15Å; I444-H448 PolarHBondContact O-ND1 3.49Å
445	L	85.3	Confident	81	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.7	-34.2	177	-67.3	175.3	0	0	0	112.4	I352 F355 L380 I441 D442 R443 E447 H448 I453	I352-L445 HydrophobicContact CG1-CD1 3.89Å; I352-L445 HydrophobicContact CG1-CD2 3.97Å; F355-L445 HydrophobicContact CB-CD1 3.79Å; F355-L445 HydrophobicContact CD1-CB 4.2Å; F355-L445 HydrophobicContact CD2-CB 3.65Å; F355-L445 HydrophobicContact CD2-CD1 4.32Å; F355-L445 HydrophobicContact CE1-CB 4.32Å; F355-L445 HydrophobicContact CE2-CB 3.76Å; F355-L445 HydrophobicContact CG-CB 3.88Å; F355-L445 HydrophobicContact CG-CD1 3.96Å; F355-L445 HydrophobicContact CZ-CB 4.1Å; F355-L445 WeakPolarHBondContact CZ-O 3.45Å; L380-L445 HydrophobicContact CD2-CD2 4.36Å; I441-L445 HydrophobicContact CG2-CD1 3.82Å; I441-L445 HydrophobicContact CG2-CG 4.17Å; I441-L445 VanDerWaalsContact O-CG 3.31Å; I441-L445 WeakPolarHBondContact O-CG 3.18Å; I441-L445 PolarHBondContact O-N 2.79Å; D442-L445 PolarHBondContact O-N 2.81Å; R443-L445 VanDerWaalsContact C-N 3.28Å; R443-L445 PolarHBondContact O-N 3.34Å; L445-E447 PolarHBondContact O-N 3.45Å; L445-H448 PolarHBondContact O-N 2.79Å; L445-I453 HydrophobicContact CB-CD1 4.27Å; L445-I453 HydrophobicContact CD2-CD1 4.17Å; L445-I453 HydrophobicContact CD2-CG1 4.21Å; L445-I453 HydrophobicContact CD2-CG2 4.26Å; L445-I453 VanDerWaalsContact O-CD1 3.3Å; L445-I453 WeakPolarHBondContact O-CD1 3.35Å
446	H	84.5	Confident	82.5	Confident	116 Å²	116	48.8 Å²	48.8	54%	0.537	24%	0.243	S	C	.	.	H	α-helix	trans	-62.8	-22.9	175.8	-90.1	-68.6	0	0	0	114.3	F355 D442 R443 H448	F355-H446 HydrophobicContact CE2-CB 4.38Å; F355-H446 AromaticContact CE2-CD2 3.8Å; F355-H446 AromaticContact CE2-CE1 3.82Å; F355-H446 AromaticContact CE2-CG 3.74Å; F355-H446 AromaticContact CE2-ND1 3.76Å; F355-H446 AromaticContact CE2-NE2 3.86Å; D442-H446 PolarHBondContact O-CD2 3.02Å; D442-H446 PolarHBondContact O-N 3.16Å; R443-H446 WeakPolarHBondContact O-CB 3.41Å; R443-H446 PolarHBondContact O-N 3.2Å; H446-H448 VanDerWaalsContact C-N 3.34Å
447	E	86.1	Confident	83.9	Confident	157 Å²	157	45.4 Å²	45.4	73%	0.734	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-7	178.8	-63.9	174.6	174.4	0	0	114.1	I444 L445	I444-E447 PolarHBondContact O-N 3.15Å; L445-E447 PolarHBondContact O-N 3.45Å
448	H	86.7	Confident	85.1	Confident	37 Å²	37	43.8 Å²	43.8	17%	0.171	22%	0.218	C	C	.	.	S	Bend	trans	-120.3	142.7	-169.1	-69.9	76.6	0	0	0	113	L380 I444 L445 H446 I453	L380-H448 HydrophobicContact CD2-CB 4.2Å; I444-H448 PolarHBondContact O-ND1 3.49Å; L445-H448 PolarHBondContact O-N 2.79Å; H446-H448 VanDerWaalsContact C-N 3.34Å; H448-I453 HydrophobicContact CB-CD1 4.12Å; H448-I453 HydrophobicContact CB-CG1 4.11Å; H448-I453 WeakPolarHBondContact O-CD1 3.32Å
449	D	87	Confident	85.9	Confident	99 Å²	99	43.6 Å²	43.6	53%	0.529	22%	0.216	S	C	.	.			trans	-55	134.4	176.3	-62.2	-50.1	0	0	0	111.8	S451 V452 I453	D449-S451 PolarHBondContact O-N 2.92Å; D449-V452 HydrophobicContact CB-CB 4.32Å; D449-V452 HydrophobicContact CB-CG2 4.09Å; D449-V452 WeakPolarHBondContact O-CA 3.23Å; D449-V452 VanDerWaalsContact O-CB 3.32Å; D449-V452 WeakPolarHBondContact O-CB 3.35Å; D449-V452 PolarHBondContact O-N 3.16Å; D449-I453 PolarHBondContact O-N 2.81Å; D449-I453 VanDerWaalsContact O-N 3.1Å
450	P	86.6	Confident	86.5	Confident	20 Å²	20	39.5 Å²	39.5	13%	0.13	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-21.6	178.6	-25.8	36	0	0	0	114.2	N361 H364 I453 A454	N361-P450 HydrophobicContact CB-CB 4.27Å; N361-P450 HydrophobicContact CB-CG 4.18Å; N361-P450 WeakPolarHBondContact O-CB 3.31Å; H364-P450 WeakPolarHBondContact NE2-CG 3.42Å; P450-I453 PolarHBondContact O-N 2.84Å; P450-A454 VanDerWaalsContact O-CB 3.26Å; P450-A454 WeakPolarHBondContact O-CB 3.37Å; P450-A454 PolarHBondContact O-N 3.48Å
451	S	88	Confident	86.9	Confident	34 Å²	34	36.5 Å²	36.5	24%	0.238	18%	0.177	C	C	.	.	H	α-helix	trans	-67.8	-35.4	169.6	-66.9	0	0	0	0	113.2	D449 C455	D449-S451 PolarHBondContact O-N 2.92Å; S451-C455 WeakPolarHBondContact O-CB 3.44Å; S451-C455 PolarHBondContact O-N 2.98Å; S451-C455 VanDerWaalsContact O-N 3.12Å
452	V	90.3	Very high	86.9	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-68.1	-43.2	173.2	167.7	0	0	0	0	109.6	N376 V377 L380 D449 C455 L456	N376-V452 HydrophobicContact CB-CG1 3.98Å; N376-V452 HydrophobicContact CB-CG2 3.99Å; V377-V452 HydrophobicContact CB-CG1 4.38Å; V377-V452 HydrophobicContact CG2-CB 4.42Å; V377-V452 HydrophobicContact CG2-CG1 3.9Å; L380-V452 HydrophobicContact CD2-CG1 4.32Å; D449-V452 HydrophobicContact CB-CB 4.32Å; D449-V452 HydrophobicContact CB-CG2 4.09Å; D449-V452 WeakPolarHBondContact O-CA 3.23Å; D449-V452 VanDerWaalsContact O-CB 3.32Å; D449-V452 WeakPolarHBondContact O-CB 3.35Å; D449-V452 PolarHBondContact O-N 3.16Å; V452-C455 PolarHBondContact O-N 3.35Å; V452-L456 WeakPolarHBondContact O-CB 3.5Å; V452-L456 PolarHBondContact O-N 2.89Å
453	I	90.8	Very high	86.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-44.3	179.1	-62	170.4	0	0	0	111.6	I352 F355 M356 L380 L445 H448 D449 P450 C455 L456 L457	I352-I453 HydrophobicContact CG2-CG2 3.67Å; F355-I453 HydrophobicContact CD1-CD1 4Å; F355-I453 HydrophobicContact CD1-CG2 4.44Å; F355-I453 HydrophobicContact CE1-CD1 3.39Å; F355-I453 HydrophobicContact CZ-CD1 3.99Å; M356-I453 HydrophobicContact CG-CG2 4.32Å; L380-I453 HydrophobicContact CD2-CG1 4.09Å; L445-I453 HydrophobicContact CB-CD1 4.27Å; L445-I453 HydrophobicContact CD2-CD1 4.17Å; L445-I453 HydrophobicContact CD2-CG1 4.21Å; L445-I453 HydrophobicContact CD2-CG2 4.26Å; L445-I453 VanDerWaalsContact O-CD1 3.3Å; L445-I453 WeakPolarHBondContact O-CD1 3.35Å; H448-I453 HydrophobicContact CB-CD1 4.12Å; H448-I453 HydrophobicContact CB-CG1 4.11Å; H448-I453 WeakPolarHBondContact O-CD1 3.32Å; D449-I453 PolarHBondContact O-N 2.81Å; D449-I453 VanDerWaalsContact O-N 3.1Å; P450-I453 PolarHBondContact O-N 2.84Å; I453-C455 VanDerWaalsContact C-N 3.34Å; I453-C455 PolarHBondContact O-N 3.46Å; I453-L456 WeakPolarHBondContact O-CB 3.49Å; I453-L456 PolarHBondContact O-N 2.96Å; I453-L456 VanDerWaalsContact O-N 3.14Å; I453-L457 PolarHBondContact O-N 2.93Å
454	A	90.7	Very high	86.1	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-41.1	174.8	0	0	0	0	0	112.1	M356 I367 F368 P450 L456 L457 A458	M356-A454 HydrophobicContact CE-CB 3.93Å; M356-A454 HydrophobicContact SD-CB 4.34Å; I367-A454 HydrophobicContact CD1-CB 3.81Å; I367-A454 HydrophobicContact CG1-CB 3.81Å; F368-A454 HydrophobicContact CD1-CB 3.79Å; F368-A454 HydrophobicContact CE1-CB 3.61Å; F368-A454 WeakPolarHBondContact CE1-O 3.37Å; F368-A454 HydrophobicContact CG-CB 4.44Å; F368-A454 HydrophobicContact CZ-CB 4.13Å; P450-A454 VanDerWaalsContact O-CB 3.26Å; P450-A454 WeakPolarHBondContact O-CB 3.37Å; P450-A454 PolarHBondContact O-N 3.48Å; A454-L456 VanDerWaalsContact C-N 3.32Å; A454-L457 PolarHBondContact O-N 3.37Å; A454-A458 PolarHBondContact O-N 2.76Å; A454-A458 VanDerWaalsContact O-N 3.16Å
455	C	90.4	Very high	85	Confident	24 Å²	24	38 Å²	38	16%	0.162	19%	0.188	C	C	.	.	H	α-helix	trans	-66.2	-34.5	174.2	-172.5	0	0	0	0	112.2	V377 S451 V452 I453 R459	V377-C455 HydrophobicContact CG2-CB 4.12Å; S451-C455 WeakPolarHBondContact O-CB 3.44Å; S451-C455 PolarHBondContact O-N 2.98Å; S451-C455 VanDerWaalsContact O-N 3.12Å; V452-C455 PolarHBondContact O-N 3.35Å; I453-C455 VanDerWaalsContact C-N 3.34Å; I453-C455 PolarHBondContact O-N 3.46Å; C455-R459 WeakPolarHBondContact O-CB 3.17Å; C455-R459 PolarHBondContact O-N 3.26Å
456	L	90.4	Very high	84.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-48.2	173.8	-176.7	59.2	0	0	0	111.4	I352 V377 L380 E381 L384 V452 I453 A454 A458 R459 I460	I352-L456 HydrophobicContact CD1-CD2 4.3Å; V377-L456 HydrophobicContact CG1-CB 3.78Å; V377-L456 HydrophobicContact CG1-CD1 3.9Å; V377-L456 HydrophobicContact CG1-CG 4.41Å; L380-L456 HydrophobicContact CB-CD2 4.26Å; L380-L456 HydrophobicContact CD2-CD2 3.55Å; L380-L456 HydrophobicContact CG-CD2 3.57Å; E381-L456 HydrophobicContact CB-CD1 3.74Å; E381-L456 HydrophobicContact CG-CD1 4.05Å; L384-L456 HydrophobicContact CD1-CD2 3.76Å; V452-L456 WeakPolarHBondContact O-CB 3.5Å; V452-L456 PolarHBondContact O-N 2.89Å; I453-L456 WeakPolarHBondContact O-CB 3.49Å; I453-L456 PolarHBondContact O-N 2.96Å; I453-L456 VanDerWaalsContact O-N 3.14Å; A454-L456 VanDerWaalsContact C-N 3.32Å; L456-A458 PolarHBondContact O-N 3.22Å; L456-R459 CarbonylContact O-C 3.39Å; L456-R459 WeakPolarHBondContact O-CA 3.26Å; L456-R459 WeakPolarHBondContact O-CB 3.43Å; L456-R459 PolarHBondContact O-N 2.64Å; L456-I460 HydrophobicContact CD1-CD1 3.81Å; L456-I460 HydrophobicContact CD1-CG1 3.83Å; L456-I460 HydrophobicContact CD2-CD1 4.05Å; L456-I460 HydrophobicContact CG-CD1 3.55Å; L456-I460 HydrophobicContact CG-CG1 4.04Å; L456-I460 WeakPolarHBondContact O-CG1 3.5Å; L456-I460 PolarHBondContact O-N 2.87Å
457	L	91.3	Very high	83.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-54.6	-52.8	179.1	178.4	60.8	0	0	0	111.2	V349 I352 L353 M356 F368 I453 A454 R459 I460 L461 L517	V349-L457 HydrophobicContact CG1-CD1 4.22Å; I352-L457 HydrophobicContact CG2-CB 3.93Å; I352-L457 HydrophobicContact CG2-CD1 4.01Å; I352-L457 HydrophobicContact CG2-CD2 4.33Å; I352-L457 HydrophobicContact CG2-CG 4.3Å; L353-L457 HydrophobicContact CD2-CD1 4.22Å; L353-L457 HydrophobicContact CD2-CD2 3.68Å; L353-L457 HydrophobicContact CG-CD1 4.14Å; L353-L457 HydrophobicContact CG-CD2 4.37Å; M356-L457 HydrophobicContact SD-CD2 3.9Å; F368-L457 HydrophobicContact CE1-CD2 4.17Å; F368-L457 HydrophobicContact CZ-CD2 4.24Å; I453-L457 PolarHBondContact O-N 2.93Å; A454-L457 PolarHBondContact O-N 3.37Å; L457-R459 PolarHBondContact O-N 3.46Å; L457-I460 PolarHBondContact O-N 3.42Å; L457-L461 HydrophobicContact CD1-CD1 3.83Å; L457-L461 HydrophobicContact CD1-CG 4.1Å; L457-L461 HydrophobicContact CG-CD1 3.96Å; L457-L461 WeakPolarHBondContact O-CB 3.45Å; L457-L461 VanDerWaalsContact O-CG 3.25Å; L457-L461 WeakPolarHBondContact O-CG 3.21Å; L457-L461 PolarHBondContact O-N 2.67Å; L457-L517 HydrophobicContact CD2-CD2 3.98Å
458	A	88.8	Confident	83.8	Confident	20 Å²	20	30.7 Å²	30.7	17%	0.165	16%	0.158	C	C	.	.	H	α-helix	trans	-59.6	-30.8	177.8	0	0	0	0	0	112.7	A454 L456 R462 I541	A454-A458 PolarHBondContact O-N 2.76Å; A454-A458 VanDerWaalsContact O-N 3.16Å; L456-A458 PolarHBondContact O-N 3.22Å; A458-R462 VanDerWaalsContact O-CB 3.26Å; A458-R462 WeakPolarHBondContact O-CB 3.43Å; A458-R462 PolarHBondContact O-N 2.92Å; A458-I541 HydrophobicContact CB-CD1 4.12Å; A458-I541 WeakPolarHBondContact O-CD1 3.25Å
459	R	86.6	Confident	83.8	Confident	25 Å²	25	29.2 Å²	29.2	9%	0.094	15%	0.151	C	C	.	.	H	α-helix	trans	-77.3	-45.8	177.6	-179.5	-174.7	-52.3	-175.7	3.2	113	V377 N378 E381 C455 L456 L457 R462 R463	V377-R459 VanDerWaalsContact CG1-NH1 3.27Å; N378-R459 PolarHBondContact OD1-NH1 3.15Å; E381-R459 WeakPolarHBondContact OE2-CD 3.25Å; E381-R459 IonicContact OE2-NH1 3.66Å; C455-R459 WeakPolarHBondContact O-CB 3.17Å; C455-R459 PolarHBondContact O-N 3.26Å; L456-R459 CarbonylContact O-C 3.39Å; L456-R459 WeakPolarHBondContact O-CA 3.26Å; L456-R459 WeakPolarHBondContact O-CB 3.43Å; L456-R459 PolarHBondContact O-N 2.64Å; L457-R459 PolarHBondContact O-N 3.46Å; R459-R462 CarbonylContact O-C 3.41Å; R459-R462 PolarHBondContact O-N 2.97Å; R459-R463 HydrophobicContact CG-CG 4.39Å; R459-R463 VanDerWaalsContact O-CB 3.29Å; R459-R463 WeakPolarHBondContact O-CB 3.37Å; R459-R463 VanDerWaalsContact O-CG 3.3Å; R459-R463 WeakPolarHBondContact O-CG 3.47Å; R459-R463 PolarHBondContact O-N 2.9Å
460	I	86.8	Confident	83.7	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-48.9	178	-68.5	170.2	0	0	0	109.4	V348 V349 I352 F385 L456 L457 R462 R463 Q464	V348-I460 HydrophobicContact CG1-CD1 4.43Å; V349-I460 HydrophobicContact CG2-CG2 3.58Å; I352-I460 HydrophobicContact CD1-CD1 3.75Å; F385-I460 HydrophobicContact CE2-CD1 3.61Å; F385-I460 HydrophobicContact CE2-CG1 3.87Å; F385-I460 HydrophobicContact CE2-CG2 4.49Å; F385-I460 HydrophobicContact CZ-CD1 4.03Å; F385-I460 HydrophobicContact CZ-CG1 4.31Å; F385-I460 HydrophobicContact CZ-CG2 4.1Å; L456-I460 HydrophobicContact CD1-CD1 3.81Å; L456-I460 HydrophobicContact CD1-CG1 3.83Å; L456-I460 HydrophobicContact CD2-CD1 4.05Å; L456-I460 HydrophobicContact CG-CD1 3.55Å; L456-I460 HydrophobicContact CG-CG1 4.04Å; L456-I460 WeakPolarHBondContact O-CG1 3.5Å; L456-I460 PolarHBondContact O-N 2.87Å; L457-I460 PolarHBondContact O-N 3.42Å; I460-R462 VanDerWaalsContact C-N 3.3Å; I460-R462 PolarHBondContact O-N 2.88Å; I460-R463 WeakPolarHBondContact O-CB 3.48Å; I460-R463 PolarHBondContact O-N 3.34Å; I460-Q464 PolarHBondContact O-N 3.25Å
461	L	86.8	Confident	83.7	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-59.7	-40.8	177.5	-64.5	170.9	0	0	0	111.5	W345 V349 L457 R463 L468 I510 L514 I541	W345-L461 HydrophobicContact CZ2-CD2 4.36Å; V349-L461 HydrophobicContact CG1-CD2 3.82Å; V349-L461 HydrophobicContact CG2-CD2 4.49Å; L457-L461 HydrophobicContact CD1-CD1 3.83Å; L457-L461 HydrophobicContact CD1-CG 4.1Å; L457-L461 HydrophobicContact CG-CD1 3.96Å; L457-L461 WeakPolarHBondContact O-CB 3.45Å; L457-L461 VanDerWaalsContact O-CG 3.25Å; L457-L461 WeakPolarHBondContact O-CG 3.21Å; L457-L461 PolarHBondContact O-N 2.67Å; L461-R463 VanDerWaalsContact C-N 3.31Å; L461-R463 PolarHBondContact O-N 3.41Å; L461-L468 HydrophobicContact CD2-CD1 4.45Å; L461-L468 HydrophobicContact CD2-CD2 4.23Å; L461-I510 HydrophobicContact CD2-CG2 3.82Å; L461-L514 HydrophobicContact CD1-CD1 4.44Å; L461-L514 HydrophobicContact CD1-CD2 3.98Å; L461-I541 HydrophobicContact CB-CG2 3.49Å; L461-I541 VanDerWaalsContact CB-CG2 3.49Å; L461-I541 HydrophobicContact CD1-CG2 4.35Å
462	R	81.3	Confident	83.5	Confident	62 Å²	62	26.7 Å²	26.7	23%	0.234	14%	0.136	C	C	.	.	H	α-helix	trans	-74.5	-14.5	174.2	-160.8	-178.2	-67.4	-177.5	-2.8	113.6	F113 A458 R459 I460 L537 I541 R546	F113-R462 PolarHBondContact O-NH1 3.35Å; A458-R462 VanDerWaalsContact O-CB 3.26Å; A458-R462 WeakPolarHBondContact O-CB 3.43Å; A458-R462 PolarHBondContact O-N 2.92Å; R459-R462 CarbonylContact O-C 3.41Å; R459-R462 PolarHBondContact O-N 2.97Å; I460-R462 VanDerWaalsContact C-N 3.3Å; I460-R462 PolarHBondContact O-N 2.88Å; R462-L537 PolarHBondContact NH2-O 2.98Å; R462-I541 HydrophobicContact CB-CG1 4.21Å; R462-R546 VanDerWaalsContact O-CZ 3.25Å; R462-R546 PolarHBondContact O-NE 2.68Å; R462-R546 PolarHBondContact O-NH2 2.91Å
463	R	75.5	Confident	83.4	Confident	108 Å²	108	26.7 Å²	26.7	41%	0.408	14%	0.136	S	C	.	.	H	α-helix	trans	-84.4	-30.1	-177.9	-90.5	-179.6	177.5	-151.6	3.6	113.6	E381 R459 I460 L461 G465	E381-R463 VanDerWaalsContact CD-CZ 3.45Å; E381-R463 WeakPolarHBondContact OE1-CD 3.45Å; E381-R463 IonicContact OE1-CZ 3.21Å; E381-R463 IonicContact OE1-NE 3.17Å; E381-R463 PolarHBondContact OE1-NE 3Å; E381-R463 IonicContact OE1-NH1 3.82Å; E381-R463 PolarHBondContact OE1-NH1 3.39Å; E381-R463 IonicContact OE1-NH2 3.18Å; E381-R463 IonicContact OE2-CZ 2.77Å; E381-R463 IonicContact OE2-NE 3.08Å; E381-R463 IonicContact OE2-NH1 3.37Å; E381-R463 PolarHBondContact OE2-NH1 2.98Å; E381-R463 VanDerWaalsContact OE2-NH1 3.12Å; E381-R463 IonicContact OE2-NH2 2.68Å; E381-R463 PolarHBondContact OE2-NH2 2.89Å; R459-R463 HydrophobicContact CG-CG 4.39Å; R459-R463 VanDerWaalsContact O-CB 3.29Å; R459-R463 WeakPolarHBondContact O-CB 3.37Å; R459-R463 VanDerWaalsContact O-CG 3.3Å; R459-R463 WeakPolarHBondContact O-CG 3.47Å; R459-R463 PolarHBondContact O-N 2.9Å; I460-R463 WeakPolarHBondContact O-CB 3.48Å; I460-R463 PolarHBondContact O-N 3.34Å; L461-R463 VanDerWaalsContact C-N 3.31Å; L461-R463 PolarHBondContact O-N 3.41Å; R463-G465 PolarHBondContact O-N 3.42Å
464	Q	71.6	Confident	83.2	Confident	71 Å²	71	27.8 Å²	27.8	33%	0.332	14%	0.14	S	C	.	.	S	Bend	trans	-56.6	-22.1	175.1	-162	62.7	3.6	0	0	113.1	W345 I460 I466	W345-Q464 HydrophobicContact CH2-CB 4.43Å; W345-Q464 HydrophobicContact CH2-CG 4.2Å; W345-Q464 HydrophobicContact CZ2-CB 3.79Å; W345-Q464 HydrophobicContact CZ2-CG 3.94Å; I460-Q464 PolarHBondContact O-N 3.25Å; Q464-I466 PolarHBondContact O-N 3.39Å
465	G	60.5	Low	83	Confident	17 Å²	17	32.3 Å²	32.3	18%	0.175	16%	0.157	C	C	.	.	S	Bend	trans	76.6	-11.7	165.9	0	0	0	0	0	115.5	R463 D545 R546	R463-G465 PolarHBondContact O-N 3.42Å; G465-D545 VanDerWaalsContact O-CA 3.24Å; G465-D545 WeakPolarHBondContact O-CA 3.31Å; G465-D545 WeakPolarHBondContact O-CB 3.3Å; G465-R546 PolarHBondContact O-N 3.02Å
466	I	69	Low	82.9	Confident	109 Å²	109	31.1 Å²	31.1	56%	0.559	15%	0.149	S	C	*	.	S	Bend	trans	-102.8	120.5	166.4	-54.1	166.2	0	0	0	106	Q464 D545	Q464-I466 PolarHBondContact O-N 3.39Å; I466-D545 WeakPolarHBondContact CA-OD1 3.36Å
467	G	76	Confident	82.8	Confident	5 Å²	5	31.2 Å²	31.2	5%	0.052	15%	0.149	C	C	.	.			trans	-62.1	144.7	176.6	0	0	0	0	0	111.9	I469 R474 I541 F542 D545	G467-I469 CarbonylContact O-C 3.49Å; G467-I469 PolarHBondContact O-N 3.08Å; G467-I469 VanDerWaalsContact O-O 3.14Å; G467-R474 VanDerWaalsContact CA-NH2 3.29Å; G467-R474 VanDerWaalsContact N-NH2 3.15Å; G467-R474 PolarHBondContact O-NH2 3Å; G467-I541 WeakPolarHBondContact CA-O 3.25Å; G467-F542 CarbonylContact C-O 3.59Å; G467-D545 PolarHBondContact N-OD1 3.47Å
468	L	85.6	Confident	82.5	Confident	7 Å²	7	33 Å²	33	4%	0.037	16%	0.158	C	C	.	.	S	Bend	trans	-57	-23.5	-172.2	-61.8	175.7	0	0	0	114.5	L461 L506 I510 L514 I541 F542	L461-L468 HydrophobicContact CD2-CD1 4.45Å; L461-L468 HydrophobicContact CD2-CD2 4.23Å; L468-L506 HydrophobicContact CD2-CD1 4.14Å; L468-L506 WeakPolarHBondContact O-CD2 3.48Å; L468-I510 HydrophobicContact CD1-CG2 4.48Å; L468-I510 HydrophobicContact CD2-CG2 4.31Å; L468-L514 HydrophobicContact CD1-CD2 3.79Å; L468-I541 HydrophobicContact CD1-CG2 3.87Å; L468-I541 HydrophobicContact CG-CG2 4.16Å; L468-I541 PolarHBondContact N-O 3.27Å; L468-F542 HydrophobicContact CB-CD1 4.05Å; L468-F542 HydrophobicContact CB-CE1 4.43Å; L468-F542 HydrophobicContact CB-CG 4.37Å; L468-F542 HydrophobicContact CD1-CD1 4.35Å; L468-F542 HydrophobicContact CD1-CD2 4.29Å; L468-F542 HydrophobicContact CD1-CE1 4.18Å; L468-F542 HydrophobicContact CD1-CE2 4.13Å; L468-F542 HydrophobicContact CD1-CG 4.42Å; L468-F542 HydrophobicContact CD1-CZ 4.08Å; L468-F542 PolarHBondContact N-O 2.82Å
469	I	86.9	Confident	82.4	Confident	5 Å²	5	33.1 Å²	33.1	3%	0.026	16%	0.156	C	C	.	.	S	Bend	trans	-91.6	120.2	167.9	-65	168.6	0	0	0	108.2	G467 L473 R474 F477 M511 F542 F543	G467-I469 CarbonylContact O-C 3.49Å; G467-I469 PolarHBondContact O-N 3.08Å; G467-I469 VanDerWaalsContact O-O 3.14Å; I469-L473 HydrophobicContact CG2-CB 3.89Å; I469-R474 HydrophobicContact CB-CG 4.22Å; I469-R474 HydrophobicContact CG2-CG 3.77Å; I469-R474 PolarHBondContact O-NE 3.13Å; I469-R474 PolarHBondContact O-NH2 2.9Å; I469-F477 HydrophobicContact CD1-CD2 4.09Å; I469-F477 HydrophobicContact CD1-CE2 4.23Å; I469-F477 HydrophobicContact CD1-CG 4.24Å; I469-F477 HydrophobicContact CG1-CE2 4.4Å; I469-F477 HydrophobicContact CG2-CD2 3.64Å; I469-F477 HydrophobicContact CG2-CE2 3.89Å; I469-M511 HydrophobicContact CG1-CE 4.13Å; I469-F542 HydrophobicContact CD1-CB 4.23Å; I469-F542 HydrophobicContact CD1-CD1 4.13Å; I469-F542 HydrophobicContact CG1-CB 4.48Å; I469-F542 HydrophobicContact CG1-CD1 4.1Å; I469-F542 PolarHBondContact N-O 3.28Å; I469-F543 HydrophobicContact CD1-CD1 4.41Å; I469-F543 HydrophobicContact CD1-CD2 4.42Å; I469-F543 HydrophobicContact CD1-CE1 3.78Å; I469-F543 HydrophobicContact CD1-CE2 3.8Å; I469-F543 HydrophobicContact CD1-CZ 3.43Å; I469-F543 VanDerWaalsContact CD1-CZ 3.43Å
470	P	84.7	Confident	82.3	Confident	15 Å²	15	32 Å²	32	10%	0.097	15%	0.151	C	C	.	.			trans	-53.8	139.9	175.2	-26.1	32.7	0	0	0	113	I263 P472 L473 R474	I263-P470 HydrophobicContact CD1-CB 3.9Å; P470-P472 VanDerWaalsContact O-N 3.16Å; P470-L473 HydrophobicContact CB-CD1 4.39Å; P470-L473 HydrophobicContact CG-CD1 4.22Å; P470-L473 WeakPolarHBondContact O-CB 3.27Å; P470-L473 PolarHBondContact O-N 3.43Å; P470-R474 PolarHBondContact O-N 3.4Å
471	N	84.9	Confident	82.1	Confident	76 Å²	76	34.4 Å²	34.4	41%	0.406	16%	0.164	S	C	.	.	H	α-helix	trans	-47.7	-45.4	-173.3	-63.4	16.9	0	0	0	114.9	L473 R474 D545	N471-L473 PolarHBondContact O-N 3.28Å; N471-R474 PolarHBondContact O-N 2.71Å; N471-R474 PolarHBondContact OD1-NH1 3.37Å; N471-R474 PolarHBondContact OD1-NH2 2.94Å; N471-D545 VanDerWaalsContact CG-OD2 3.27Å; N471-D545 PolarHBondContact ND2-OD2 3.36Å; N471-D545 PolarHBondContact OD1-OD1 2.86Å; N471-D545 PolarHBondContact OD1-OD2 2.94Å; N471-D545 VanDerWaalsContact OD1-OD2 3.09Å
472	P	84.6	Confident	81.6	Confident	10 Å²	10	38.2 Å²	38.2	7%	0.065	19%	0.19	C	C	.	.	H	α-helix	trans	-62.2	-28.2	179.6	-23.3	35.4	0	0	0	113.7	E256 Q259 I260 I263 P470	E256-P472 HydrophobicContact CG-CB 4.44Å; Q259-P472 HydrophobicContact CB-CB 4.18Å; Q259-P472 HydrophobicContact CB-CG 3.54Å; Q259-P472 HydrophobicContact CG-CG 4.46Å; I260-P472 HydrophobicContact CD1-CB 4.25Å; I260-P472 HydrophobicContact CG1-CB 3.69Å; I260-P472 HydrophobicContact CG1-CG 4.5Å; I263-P472 HydrophobicContact CD1-CG 3.9Å; P470-P472 VanDerWaalsContact O-N 3.16Å
473	L	88.2	Confident	80.8	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-83.7	-22.1	-178.1	-59.2	178.1	0	0	0	112.3	I260 I469 P470 N471 R475 L476 F477 L501 C502	I260-L473 HydrophobicContact CD1-CD2 3.56Å; I260-L473 HydrophobicContact CG1-CD2 3.81Å; I260-L473 HydrophobicContact CG1-CG 4.47Å; I469-L473 HydrophobicContact CG2-CB 3.89Å; P470-L473 HydrophobicContact CB-CD1 4.39Å; P470-L473 HydrophobicContact CG-CD1 4.22Å; P470-L473 WeakPolarHBondContact O-CB 3.27Å; P470-L473 PolarHBondContact O-N 3.43Å; N471-L473 PolarHBondContact O-N 3.28Å; L473-R475 VanDerWaalsContact C-N 3.31Å; L473-R475 PolarHBondContact O-N 3.08Å; L473-L476 HydrophobicContact CD2-CD1 3.94Å; L473-L476 WeakPolarHBondContact O-CB 3.3Å; L473-L476 PolarHBondContact O-N 2.89Å; L473-L476 VanDerWaalsContact O-N 3.08Å; L473-F477 HydrophobicContact CB-CD2 4.17Å; L473-F477 HydrophobicContact CB-CE2 4.31Å; L473-F477 WeakPolarHBondContact O-CD2 3.48Å; L473-F477 PolarHBondContact O-N 3.21Å; L473-L501 HydrophobicContact CD1-CB 3.79Å; L473-L501 HydrophobicContact CD2-CB 3.71Å; L473-L501 HydrophobicContact CD2-CD1 3.74Å; L473-L501 HydrophobicContact CD2-CG 4.39Å; L473-L501 HydrophobicContact CG-CB 4.42Å; L473-C502 VanDerWaalsContact CD1-SG 3.6Å
474	R	87.2	Confident	80.1	Confident	23 Å²	23	34.3 Å²	34.3	9%	0.087	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-39.6	-175.6	-65.8	-174	-173.5	149.4	15.5	112.7	G467 I469 P470 N471 F477 I478 F543 D545	G467-R474 VanDerWaalsContact CA-NH2 3.29Å; G467-R474 VanDerWaalsContact N-NH2 3.15Å; G467-R474 PolarHBondContact O-NH2 3Å; I469-R474 HydrophobicContact CB-CG 4.22Å; I469-R474 HydrophobicContact CG2-CG 3.77Å; I469-R474 PolarHBondContact O-NE 3.13Å; I469-R474 PolarHBondContact O-NH2 2.9Å; P470-R474 PolarHBondContact O-N 3.4Å; N471-R474 PolarHBondContact O-N 2.71Å; N471-R474 PolarHBondContact OD1-NH1 3.37Å; N471-R474 PolarHBondContact OD1-NH2 2.94Å; R474-F477 PolarHBondContact O-N 2.94Å; R474-I478 VanDerWaalsContact O-CG1 3.28Å; R474-I478 WeakPolarHBondContact O-CG1 3.45Å; R474-I478 PolarHBondContact O-N 3.44Å; R474-F543 HydrophobicContact CB-CD1 4.1Å; R474-F543 HydrophobicContact CB-CE1 4.45Å; R474-F543 VanDerWaalsContact CD-O 3.25Å; R474-F543 WeakPolarHBondContact CD-O 3.24Å; R474-F543 HydrophobicContact CG-CD1 3.91Å; R474-F543 HydrophobicContact CG-CE1 4.45Å; R474-F543 VanDerWaalsContact CZ-O 3.28Å; R474-F543 PolarHBondContact NE-O 2.68Å; R474-F543 PolarHBondContact NH1-O 3.41Å; R474-D545 IonicContact CZ-OD1 3.01Å; R474-D545 IonicContact CZ-OD2 3.9Å; R474-D545 IonicContact NH1-OD1 3.12Å; R474-D545 PolarHBondContact NH1-OD1 3.11Å; R474-D545 VanDerWaalsContact NH1-OD1 3.14Å; R474-D545 IonicContact NH1-OD2 3.87Å; R474-D545 PolarHBondContact NH1-OD2 3.04Å; R474-D545 IonicContact NH2-OD1 3.7Å; R474-D545 PolarHBondContact NH2-OD1 3.07Å; R474-D545 IonicContact NH2-OD2 3.27Å
475	R	86.1	Confident	79.4	Confident	96 Å²	96	40 Å²	40	36%	0.362	21%	0.211	S	C	.	.	H	α-helix	trans	-66.7	-39.2	177	-164.8	179.5	65.5	92.1	17.7	111.8	V251 E256 L473 I478 Q479	V251-R475 PolarHBondContact O-NH2 3.22Å; E256-R475 IonicContact OE1-CZ 2.68Å; E256-R475 VanDerWaalsContact OE1-CZ 3.27Å; E256-R475 IonicContact OE1-NE 2.7Å; E256-R475 PolarHBondContact OE1-NE 2.94Å; E256-R475 IonicContact OE1-NH2 2.82Å; E256-R475 PolarHBondContact OE1-NH2 3.18Å; E256-R475 IonicContact OE2-CZ 3.66Å; E256-R475 IonicContact OE2-NE 3.69Å; E256-R475 IonicContact OE2-NH2 3.18Å; E256-R475 PolarHBondContact OE2-NH2 3.2Å; L473-R475 VanDerWaalsContact C-N 3.31Å; L473-R475 PolarHBondContact O-N 3.08Å; R475-I478 PolarHBondContact O-N 3.38Å; R475-Q479 VanDerWaalsContact CZ-NE2 3.3Å; R475-Q479 WeakPolarHBondContact O-CG 3.36Å; R475-Q479 PolarHBondContact O-N 2.95Å
476	L	87.3	Confident	79.3	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.6	-42.5	176.1	-56.9	173.5	0	0	0	111.5	F252 I260 L473 I478 Q479 L480 L498	F252-L476 HydrophobicContact CD1-CD1 3.68Å; F252-L476 HydrophobicContact CD1-CD2 3.87Å; F252-L476 HydrophobicContact CD1-CG 4.43Å; F252-L476 HydrophobicContact CE1-CD1 3.34Å; F252-L476 HydrophobicContact CE1-CD2 4.02Å; F252-L476 HydrophobicContact CE1-CG 4.33Å; F252-L476 HydrophobicContact CG-CD2 4.13Å; F252-L476 HydrophobicContact CZ-CD1 4.12Å; F252-L476 HydrophobicContact CZ-CD2 4.38Å; I260-L476 HydrophobicContact CD1-CD1 4.24Å; L473-L476 HydrophobicContact CD2-CD1 3.94Å; L473-L476 WeakPolarHBondContact O-CB 3.3Å; L473-L476 PolarHBondContact O-N 2.89Å; L473-L476 VanDerWaalsContact O-N 3.08Å; L476-I478 VanDerWaalsContact C-N 3.34Å; L476-I478 PolarHBondContact O-N 3.41Å; L476-Q479 WeakPolarHBondContact O-CB 3.3Å; L476-Q479 PolarHBondContact O-N 2.8Å; L476-L480 PolarHBondContact O-N 3.45Å; L476-L498 HydrophobicContact CB-CD2 3.93Å; L476-L498 HydrophobicContact CD1-CD2 3.95Å
477	F	88.2	Confident	79.5	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-40.3	172.9	-90.9	-73.8	0	0	0	112.3	I469 L473 R474 L480 L498 F499 F543 V562	I469-F477 HydrophobicContact CD1-CD2 4.09Å; I469-F477 HydrophobicContact CD1-CE2 4.23Å; I469-F477 HydrophobicContact CD1-CG 4.24Å; I469-F477 HydrophobicContact CG1-CE2 4.4Å; I469-F477 HydrophobicContact CG2-CD2 3.64Å; I469-F477 HydrophobicContact CG2-CE2 3.89Å; L473-F477 HydrophobicContact CB-CD2 4.17Å; L473-F477 HydrophobicContact CB-CE2 4.31Å; L473-F477 WeakPolarHBondContact O-CD2 3.48Å; L473-F477 PolarHBondContact O-N 3.21Å; R474-F477 PolarHBondContact O-N 2.94Å; F477-L480 HydrophobicContact CD1-CD1 3.91Å; F477-L480 VanDerWaalsContact O-CB 3.3Å; F477-L480 WeakPolarHBondContact O-CB 3.06Å; F477-L480 VanDerWaalsContact O-CG 3.27Å; F477-L480 WeakPolarHBondContact O-CG 3.24Å; F477-L480 PolarHBondContact O-N 3.23Å; F477-L498 HydrophobicContact CD1-CD1 4.22Å; F477-L498 HydrophobicContact CD2-CD1 4.39Å; F477-L498 HydrophobicContact CE1-CB 4.23Å; F477-L498 HydrophobicContact CE1-CD1 4.23Å; F477-L498 HydrophobicContact CE2-CB 3.87Å; F477-L498 HydrophobicContact CE2-CD1 4.4Å; F477-L498 HydrophobicContact CG-CD1 4.3Å; F477-L498 HydrophobicContact CZ-CB 3.64Å; F477-L498 HydrophobicContact CZ-CD1 4.32Å; F477-F499 HydrophobicContact CE1-CE1 4.29Å; F477-F499 HydrophobicContact CE1-CZ 4.49Å; F477-F499 AromaticContact CZ-CD1 3.99Å; F477-F499 HydrophobicContact CZ-CD1 3.99Å; F477-F499 AromaticContact CZ-CE1 3.84Å; F477-F499 HydrophobicContact CZ-CE1 3.84Å; F477-F499 HydrophobicContact CZ-CZ 4.45Å; F477-F543 HydrophobicContact CB-CE1 3.95Å; F477-F543 HydrophobicContact CB-CZ 4.18Å; F477-V562 HydrophobicContact CB-CG1 4.13Å; F477-V562 HydrophobicContact CD1-CG1 3.9Å; F477-V562 HydrophobicContact CG-CG1 4.47Å; F477-V562 WeakPolarHBondContact O-CG2 3.32Å
478	I	86.4	Confident	79.5	Confident	37 Å²	37	49.9 Å²	49.9	19%	0.19	25%	0.251	C	S	.	.	H	α-helix	trans	-68	-38.1	175.4	-68.7	168.2	0	0	0	111.8	R474 R475 L476 L480 I481 S482 L558 P559	R474-I478 VanDerWaalsContact O-CG1 3.28Å; R474-I478 WeakPolarHBondContact O-CG1 3.45Å; R474-I478 PolarHBondContact O-N 3.44Å; R475-I478 PolarHBondContact O-N 3.38Å; L476-I478 VanDerWaalsContact C-N 3.34Å; L476-I478 PolarHBondContact O-N 3.41Å; I478-L480 PolarHBondContact O-N 3.41Å; I478-L480 VanDerWaalsContact O-N 3.16Å; I478-I481 PolarHBondContact O-N 3.46Å; I478-I481 VanDerWaalsContact O-N 3.17Å; I478-S482 PolarHBondContact O-N 3.24Å; I478-S482 PolarHBondContact O-OG 3.46Å; I478-L558 HydrophobicContact CG2-CB 4.06Å; I478-L558 HydrophobicContact CG2-CD1 3.85Å; I478-P559 HydrophobicContact CD1-CG 4.39Å
479	Q	85.2	Confident	79.2	Confident	24 Å²	24	53.1 Å²	53.1	11%	0.112	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-29.1	176.1	-76.9	177.6	20.4	0	0	113.2	L250 V251 R475 L476 I481 S482 S483	L250-Q479 HydrophobicContact CD2-CB 4.09Å; V251-Q479 PolarHBondContact O-NE2 2.9Å; R475-Q479 VanDerWaalsContact CZ-NE2 3.3Å; R475-Q479 WeakPolarHBondContact O-CG 3.36Å; R475-Q479 PolarHBondContact O-N 2.95Å; L476-Q479 WeakPolarHBondContact O-CB 3.3Å; L476-Q479 PolarHBondContact O-N 2.8Å; Q479-I481 PolarHBondContact O-N 3.25Å; Q479-I481 VanDerWaalsContact O-N 3.1Å; Q479-S482 PolarHBondContact O-N 3.19Å; Q479-S483 WeakPolarHBondContact O-CB 3.44Å; Q479-S483 PolarHBondContact O-N 3.08Å; Q479-S483 PolarHBondContact O-OG 3.33Å
480	L	84.5	Confident	78.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-53.7	-31.5	178.2	-59	-179.3	0	0	0	113.4	L250 L476 F477 I478 I484 Q491 A494 I495 L498	L250-L480 HydrophobicContact CD1-CD2 4.14Å; L250-L480 HydrophobicContact CD2-CD2 4.07Å; L476-L480 PolarHBondContact O-N 3.45Å; F477-L480 HydrophobicContact CD1-CD1 3.91Å; F477-L480 VanDerWaalsContact O-CB 3.3Å; F477-L480 WeakPolarHBondContact O-CB 3.06Å; F477-L480 VanDerWaalsContact O-CG 3.27Å; F477-L480 WeakPolarHBondContact O-CG 3.24Å; F477-L480 PolarHBondContact O-N 3.23Å; I478-L480 PolarHBondContact O-N 3.41Å; I478-L480 VanDerWaalsContact O-N 3.16Å; L480-I484 HydrophobicContact CD2-CD1 4.12Å; L480-Q491 PolarHBondContact O-NE2 2.94Å; L480-A494 HydrophobicContact CD2-CB 3.31Å; L480-I495 HydrophobicContact CD1-CD1 4.36Å; L480-I495 HydrophobicContact CD1-CG1 3.69Å; L480-L498 HydrophobicContact CD1-CD1 4.07Å; L480-L498 HydrophobicContact CD2-CD1 4.06Å; L480-L498 HydrophobicContact CG-CD1 4.32Å
481	I	83.3	Confident	78.8	Confident	54 Å²	54	56.4 Å²	56.4	28%	0.277	28%	0.279	S	S	.	.	H	α-helix	trans	-98.6	-35.3	-177.7	-62.3	-165	0	0	0	111.2	I478 Q479 H561 V562 L565	I478-I481 PolarHBondContact O-N 3.46Å; I478-I481 VanDerWaalsContact O-N 3.17Å; Q479-I481 PolarHBondContact O-N 3.25Å; Q479-I481 VanDerWaalsContact O-N 3.1Å; I481-H561 HydrophobicContact CD1-CB 3.45Å; I481-H561 VanDerWaalsContact CD1-CB 3.45Å; I481-H561 WeakPolarHBondContact CD1-O 3.39Å; I481-V562 HydrophobicContact CD1-CB 4.25Å; I481-V562 HydrophobicContact CD1-CG2 3.72Å; I481-V562 VanDerWaalsContact CD1-N 3.25Å; I481-V562 HydrophobicContact CG1-CG2 4.04Å; I481-L565 HydrophobicContact CG1-CD2 4.48Å
482	S	77.2	Confident	78.7	Confident	81 Å²	81	55.4 Å²	55.4	57%	0.566	27%	0.27	S	S	*	.	H	α-helix	trans	-79.3	-26.1	-178.2	-52.7	0	0	0	0	114.8	I478 Q479	I478-S482 PolarHBondContact O-N 3.24Å; I478-S482 PolarHBondContact O-OG 3.46Å; Q479-S482 PolarHBondContact O-N 3.19Å
483	S	63.5	Low	78.6	Confident	66 Å²	66	55.6 Å²	55.6	46%	0.462	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-25.5	-169.4	67.5	0	0	0	0	115.4	Q479	Q479-S483 WeakPolarHBondContact O-CB 3.44Å; Q479-S483 PolarHBondContact O-N 3.08Å; Q479-S483 PolarHBondContact O-OG 3.33Å
484	I	61.2	Low	78.5	Confident	23 Å²	23	55.5 Å²	55.5	12%	0.118	27%	0.269	C	S	.	.	S	Bend	trans	-95.3	111.5	-172.9	-50.7	177.7	0	0	0	108.7	F249 L250 L480 Q486 N487 Q491	F249-I484 HydrophobicContact CD2-CD1 3.8Å; F249-I484 HydrophobicContact CD2-CG1 4.26Å; F249-I484 HydrophobicContact CE2-CD1 3.63Å; L250-I484 HydrophobicContact CD2-CD1 4.48Å; L480-I484 HydrophobicContact CD2-CD1 4.12Å; I484-Q486 VanDerWaalsContact C-N 3.34Å; I484-Q486 PolarHBondContact O-N 3.43Å; I484-N487 HydrophobicContact CG2-CB 4.4Å; I484-Q491 HydrophobicContact CB-CG 4.47Å; I484-Q491 HydrophobicContact CD1-CG 4.05Å; I484-Q491 HydrophobicContact CG2-CG 4.35Å
485	K	56.3	Low	78.6	Confident	190 Å²	190	54.4 Å²	54.4	83%	0.826	27%	0.265	S	S	*	.			trans	-57	92.1	169.8	-70.8	-173.4	175.5	-171	0	110.2	N487	K485-N487 WeakPolarHBondContact O-CB 3.35Å; K485-N487 VanDerWaalsContact O-CG 3.3Å; K485-N487 PolarHBondContact O-N 2.95Å
486	Q	59.5	Low	78.8	Confident	185 Å²	185	50.4 Å²	50.4	86%	0.864	25%	0.25	S	C	*	.	S	Bend	trans	35.8	10.1	168.8	-66.7	-172	-3.7	0	0	120.1	I484 E488	I484-Q486 VanDerWaalsContact C-N 3.34Å; I484-Q486 PolarHBondContact O-N 3.43Å; Q486-E488 PolarHBondContact O-N 2.86Å
487	N	71.9	Confident	78.8	Confident	90 Å²	90	50.4 Å²	50.4	48%	0.481	25%	0.25	S	C	.	.			trans	-80.7	89.2	-177	-78.4	-26.8	0	0	0	109.3	I484 K485 I489 Y490 Q491	I484-N487 HydrophobicContact CG2-CB 4.4Å; K485-N487 WeakPolarHBondContact O-CB 3.35Å; K485-N487 VanDerWaalsContact O-CG 3.3Å; K485-N487 PolarHBondContact O-N 2.95Å; N487-I489 PolarHBondContact O-N 3.39Å; N487-I489 VanDerWaalsContact O-N 3.08Å; N487-Y490 HydrophobicContact CB-CD2 3.51Å; N487-Y490 HydrophobicContact CB-CE2 4.15Å; N487-Y490 HydrophobicContact CB-CG 4.44Å; N487-Y490 PolarHBondContact O-N 2.98Å; N487-Q491 PolarHBondContact O-N 3.42Å
488	E	76.9	Confident	78.9	Confident	63 Å²	63	50.4 Å²	50.4	29%	0.294	25%	0.25	S	C	.	.	H	α-helix	trans	-52.5	-32.2	-178.3	-161.7	-173.3	129.9	0	0	112.7	Q486 Q491 R492 L569	Q486-E488 PolarHBondContact O-N 2.86Å; E488-Q491 CarbonylContact O-C 3.6Å; E488-Q491 PolarHBondContact O-N 3.38Å; E488-R492 HydrophobicContact CG-CG 4.47Å; E488-R492 WeakPolarHBondContact O-CB 3.39Å; E488-R492 WeakPolarHBondContact O-CG 3.3Å; E488-R492 PolarHBondContact O-N 2.87Å; E488-R492 IonicContact OE1-CZ 3.53Å; E488-R492 IonicContact OE1-NE 3.81Å; E488-R492 PolarHBondContact OE1-NE 2.88Å; E488-R492 IonicContact OE1-NH2 3.74Å; E488-R492 PolarHBondContact OE1-NH2 2.94Å; E488-L569 HydrophobicContact CG-CD2 4.17Å; E488-L569 VanDerWaalsContact OE1-CD2 3.32Å; E488-L569 WeakPolarHBondContact OE1-CD2 3.45Å
489	I	78.4	Confident	79.2	Confident	75 Å²	75	48.9 Å²	48.9	39%	0.385	24%	0.242	S	C	.	.	H	α-helix	trans	-59.3	-49.8	175.8	-58.8	176.7	0	0	0	111.4	T215 D218 N487 Q491 R492 R493	T215-I489 HydrophobicContact CG2-CD1 3.71Å; D218-I489 HydrophobicContact CB-CG2 4.14Å; N487-I489 PolarHBondContact O-N 3.39Å; N487-I489 VanDerWaalsContact O-N 3.08Å; I489-Q491 VanDerWaalsContact C-N 3.29Å; I489-Q491 PolarHBondContact O-N 3.49Å; I489-R492 PolarHBondContact O-N 3Å; I489-R493 PolarHBondContact O-N 3Å
490	Y	79	Confident	79.3	Confident	71 Å²	71	48.4 Å²	48.4	28%	0.278	24%	0.24	S	C	.	.	H	α-helix	trans	-65.4	-34.3	177	-67.1	-55.8	0	0	0	111.8	S214 N487 A494	S214-Y490 WeakPolarHBondContact CB-OH 3.21Å; S214-Y490 PolarHBondContact OG-OH 3.27Å; N487-Y490 HydrophobicContact CB-CD2 3.51Å; N487-Y490 HydrophobicContact CB-CE2 4.15Å; N487-Y490 HydrophobicContact CB-CG 4.44Å; N487-Y490 PolarHBondContact O-N 2.98Å; Y490-A494 VanDerWaalsContact O-CB 3.25Å; Y490-A494 WeakPolarHBondContact O-CB 3.36Å; Y490-A494 PolarHBondContact O-N 3.23Å
491	Q	84.6	Confident	79.6	Confident	18 Å²	18	48.4 Å²	48.4	8%	0.084	24%	0.24	C	C	.	.	H	α-helix	trans	-67.9	-46.1	175.5	-69.7	176	-23.8	0	0	111.8	L480 I484 N487 E488 I489 R493 A494 I495 L565	L480-Q491 PolarHBondContact O-NE2 2.94Å; I484-Q491 HydrophobicContact CB-CG 4.47Å; I484-Q491 HydrophobicContact CD1-CG 4.05Å; I484-Q491 HydrophobicContact CG2-CG 4.35Å; N487-Q491 PolarHBondContact O-N 3.42Å; E488-Q491 CarbonylContact O-C 3.6Å; E488-Q491 PolarHBondContact O-N 3.38Å; I489-Q491 VanDerWaalsContact C-N 3.29Å; I489-Q491 PolarHBondContact O-N 3.49Å; Q491-R493 PolarHBondContact O-N 3.34Å; Q491-A494 WeakPolarHBondContact O-CB 3.47Å; Q491-A494 PolarHBondContact O-N 2.87Å; Q491-I495 WeakPolarHBondContact O-CB 3.25Å; Q491-I495 WeakPolarHBondContact O-CD1 3.19Å; Q491-I495 VanDerWaalsContact O-CG1 3.25Å; Q491-I495 WeakPolarHBondContact O-CG1 3.48Å; Q491-I495 PolarHBondContact O-N 3.31Å; Q491-L565 HydrophobicContact CB-CD2 4.12Å; Q491-L565 HydrophobicContact CG-CD2 4.29Å
492	R	83.8	Confident	79.8	Confident	56 Å²	56	45.9 Å²	45.9	21%	0.211	23%	0.227	C	C	.	.	H	α-helix	trans	-54.9	-49.7	173	-76.7	179.1	-175.2	-120.6	3.3	110.6	E488 I489 A494 I495 R496 L569 E573	E488-R492 HydrophobicContact CG-CG 4.47Å; E488-R492 WeakPolarHBondContact O-CB 3.39Å; E488-R492 WeakPolarHBondContact O-CG 3.3Å; E488-R492 PolarHBondContact O-N 2.87Å; E488-R492 IonicContact OE1-CZ 3.53Å; E488-R492 IonicContact OE1-NE 3.81Å; E488-R492 PolarHBondContact OE1-NE 2.88Å; E488-R492 IonicContact OE1-NH2 3.74Å; E488-R492 PolarHBondContact OE1-NH2 2.94Å; I489-R492 PolarHBondContact O-N 3Å; R492-A494 VanDerWaalsContact C-N 3.35Å; R492-A494 PolarHBondContact O-N 3.18Å; R492-I495 PolarHBondContact O-N 3.45Å; R492-R496 VanDerWaalsContact O-CG 3.31Å; R492-R496 WeakPolarHBondContact O-CG 3.45Å; R492-R496 PolarHBondContact O-N 3.26Å; R492-L569 HydrophobicContact CG-CD1 3.85Å; R492-L569 HydrophobicContact CG-CD2 3.5Å; R492-L569 HydrophobicContact CG-CG 4.3Å; R492-L569 VanDerWaalsContact CZ-CD2 3.42Å; R492-E573 IonicContact NH1-OE1 2.65Å; R492-E573 PolarHBondContact NH1-OE1 3.1Å
493	R	82.4	Confident	80.3	Confident	13 Å²	13	43.2 Å²	43.2	5%	0.049	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-43.7	176.2	-167.7	171.7	70.2	-141.5	10.9	112.6	S214 D218 I489 Q491 L497 P587	S214-R493 PolarHBondContact O-NH1 3.4Å; D218-R493 VanDerWaalsContact OD1-CB 3.24Å; D218-R493 WeakPolarHBondContact OD1-CB 3.49Å; D218-R493 WeakPolarHBondContact OD1-CD 3.47Å; D218-R493 VanDerWaalsContact OD1-CG 3.23Å; D218-R493 WeakPolarHBondContact OD1-CG 3.26Å; D218-R493 WeakPolarHBondContact OD2-CD 3.34Å; D218-R493 IonicContact OD2-NH1 3.75Å; D218-R493 PolarHBondContact OD2-NH1 3.04Å; I489-R493 PolarHBondContact O-N 3Å; Q491-R493 PolarHBondContact O-N 3.34Å; R493-L497 HydrophobicContact CG-CD1 4.13Å; R493-L497 WeakPolarHBondContact O-CG 3.35Å; R493-L497 PolarHBondContact O-N 3.47Å; R493-L497 VanDerWaalsContact O-N 3.11Å; R493-P587 HydrophobicContact CG-CG 4.23Å
494	A	86.4	Confident	81.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-46.2	179.4	0	0	0	0	0	111.9	L247 F249 L480 Y490 Q491 R492 L497 L498	L247-A494 HydrophobicContact CD2-CB 4.14Å; F249-A494 HydrophobicContact CE2-CB 3.9Å; F249-A494 HydrophobicContact CZ-CB 3.78Å; L480-A494 HydrophobicContact CD2-CB 3.31Å; Y490-A494 VanDerWaalsContact O-CB 3.25Å; Y490-A494 WeakPolarHBondContact O-CB 3.36Å; Y490-A494 PolarHBondContact O-N 3.23Å; Q491-A494 WeakPolarHBondContact O-CB 3.47Å; Q491-A494 PolarHBondContact O-N 2.87Å; R492-A494 VanDerWaalsContact C-N 3.35Å; R492-A494 PolarHBondContact O-N 3.18Å; A494-L497 PolarHBondContact O-N 3.26Å; A494-L498 VanDerWaalsContact O-CB 3.26Å; A494-L498 WeakPolarHBondContact O-CB 3.36Å; A494-L498 WeakPolarHBondContact O-CG 3.31Å; A494-L498 PolarHBondContact O-N 3.24Å
495	I	88.9	Confident	82.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-47.8	179.6	-69.4	163.3	0	0	0	110.5	L480 Q491 R492 L497 L498 F499 L565 L569 L583	L480-I495 HydrophobicContact CD1-CD1 4.36Å; L480-I495 HydrophobicContact CD1-CG1 3.69Å; Q491-I495 WeakPolarHBondContact O-CB 3.25Å; Q491-I495 WeakPolarHBondContact O-CD1 3.19Å; Q491-I495 VanDerWaalsContact O-CG1 3.25Å; Q491-I495 WeakPolarHBondContact O-CG1 3.48Å; Q491-I495 PolarHBondContact O-N 3.31Å; R492-I495 PolarHBondContact O-N 3.45Å; I495-L497 VanDerWaalsContact C-N 3.35Å; I495-L497 PolarHBondContact O-N 3.08Å; I495-L498 PolarHBondContact O-N 3.47Å; I495-F499 HydrophobicContact CG2-CD2 3.81Å; I495-F499 HydrophobicContact CG2-CE2 3.32Å; I495-F499 HydrophobicContact CG2-CZ 4.05Å; I495-F499 VanDerWaalsContact O-CD2 3.29Å; I495-F499 WeakPolarHBondContact O-CD2 3.46Å; I495-F499 PolarHBondContact O-N 2.98Å; I495-F499 VanDerWaalsContact O-N 3.08Å; I495-L565 HydrophobicContact CD1-CD2 4.1Å; I495-L565 HydrophobicContact CD1-CG 4.12Å; I495-L569 HydrophobicContact CD1-CD1 3.55Å; I495-L583 HydrophobicContact CG2-CD1 3.83Å; I495-L583 HydrophobicContact CG2-CG 4.49Å
496	R	88.9	Confident	84.2	Confident	12 Å²	12	33.1 Å²	33.1	5%	0.045	16%	0.155	C	C	.	.	H	α-helix	trans	-51.9	-50.5	174.9	-74.1	169.9	176.4	156.8	2.7	111.7	D218 R492 E573 R582 L583 Q585	D218-R496 IonicContact OD1-NH1 4Å; R492-R496 VanDerWaalsContact O-CG 3.31Å; R492-R496 WeakPolarHBondContact O-CG 3.45Å; R492-R496 PolarHBondContact O-N 3.26Å; R496-E573 IonicContact NH2-OE1 2.74Å; R496-E573 PolarHBondContact NH2-OE1 2.86Å; R496-R582 PolarHBondContact NE-O 2.79Å; R496-R582 PolarHBondContact NH2-O 2.7Å; R496-L583 WeakPolarHBondContact CG-O 3.26Å; R496-Q585 WeakPolarHBondContact CB-O 3.48Å; R496-Q585 VanDerWaalsContact CD-O 3.25Å; R496-Q585 WeakPolarHBondContact CD-O 3.37Å; R496-Q585 WeakPolarHBondContact CG-O 3.3Å
497	L	88.3	Confident	85.5	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-75.5	-33.6	-178.4	-67.3	175	0	0	0	113.9	V243 Y246 L247 R493 A494 I495 L500 I586 F590	V243-L497 HydrophobicContact CG1-CB 4.45Å; Y246-L497 HydrophobicContact CG-CD1 4.5Å; L247-L497 HydrophobicContact CD1-CB 4.1Å; L247-L497 HydrophobicContact CD2-CB 4.05Å; L247-L497 HydrophobicContact CD2-CD1 3.78Å; L247-L497 HydrophobicContact CG-CB 4.23Å; L247-L497 HydrophobicContact CG-CD1 4.12Å; R493-L497 HydrophobicContact CG-CD1 4.13Å; R493-L497 WeakPolarHBondContact O-CG 3.35Å; R493-L497 PolarHBondContact O-N 3.47Å; R493-L497 VanDerWaalsContact O-N 3.11Å; A494-L497 PolarHBondContact O-N 3.26Å; I495-L497 VanDerWaalsContact C-N 3.35Å; I495-L497 PolarHBondContact O-N 3.08Å; L497-L500 HydrophobicContact CD2-CD1 3.81Å; L497-L500 VanDerWaalsContact O-CB 3.29Å; L497-L500 WeakPolarHBondContact O-CB 3.32Å; L497-L500 PolarHBondContact O-N 2.68Å; L497-L500 VanDerWaalsContact O-N 3.11Å; L497-I586 HydrophobicContact CD2-CG2 4.01Å; L497-F590 HydrophobicContact CD2-CD1 4.15Å; L497-F590 HydrophobicContact CD2-CD2 4.01Å; L497-F590 HydrophobicContact CD2-CE1 4.27Å; L497-F590 HydrophobicContact CD2-CE2 4.15Å; L497-F590 HydrophobicContact CD2-CG 4.01Å; L497-F590 HydrophobicContact CD2-CZ 4.28Å
498	L	91.1	Very high	86.3	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-68	-34.9	177.7	-76.3	170.9	0	0	0	111.9	L247 L250 L476 F477 L480 A494 I495 L500 L501	L247-L498 HydrophobicContact CD1-CD2 3.9Å; L247-L498 HydrophobicContact CD1-CG 4.04Å; L250-L498 HydrophobicContact CD1-CD1 4.19Å; L250-L498 HydrophobicContact CD1-CD2 4.43Å; L476-L498 HydrophobicContact CB-CD2 3.93Å; L476-L498 HydrophobicContact CD1-CD2 3.95Å; F477-L498 HydrophobicContact CD1-CD1 4.22Å; F477-L498 HydrophobicContact CD2-CD1 4.39Å; F477-L498 HydrophobicContact CE1-CB 4.23Å; F477-L498 HydrophobicContact CE1-CD1 4.23Å; F477-L498 HydrophobicContact CE2-CB 3.87Å; F477-L498 HydrophobicContact CE2-CD1 4.4Å; F477-L498 HydrophobicContact CG-CD1 4.3Å; F477-L498 HydrophobicContact CZ-CB 3.64Å; F477-L498 HydrophobicContact CZ-CD1 4.32Å; L480-L498 HydrophobicContact CD1-CD1 4.07Å; L480-L498 HydrophobicContact CD2-CD1 4.06Å; L480-L498 HydrophobicContact CG-CD1 4.32Å; A494-L498 VanDerWaalsContact O-CB 3.26Å; A494-L498 WeakPolarHBondContact O-CB 3.36Å; A494-L498 WeakPolarHBondContact O-CG 3.31Å; A494-L498 PolarHBondContact O-N 3.24Å; I495-L498 PolarHBondContact O-N 3.47Å; L498-L500 PolarHBondContact O-N 2.8Å; L498-L501 HydrophobicContact CD2-CD1 4.28Å; L498-L501 WeakPolarHBondContact O-CB 3.44Å; L498-L501 PolarHBondContact O-N 2.88Å
499	F	91.2	Very high	86.7	Confident	5 Å²	5	25.2 Å²	25.2	2%	0.022	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-23.8	171.2	-71.3	-45.8	0	0	0	112.7	F477 I495 L501 C502 M511 F515 L583 F584	F477-F499 HydrophobicContact CE1-CE1 4.29Å; F477-F499 HydrophobicContact CE1-CZ 4.49Å; F477-F499 AromaticContact CZ-CD1 3.99Å; F477-F499 HydrophobicContact CZ-CD1 3.99Å; F477-F499 AromaticContact CZ-CE1 3.84Å; F477-F499 HydrophobicContact CZ-CE1 3.84Å; F477-F499 HydrophobicContact CZ-CZ 4.45Å; I495-F499 HydrophobicContact CG2-CD2 3.81Å; I495-F499 HydrophobicContact CG2-CE2 3.32Å; I495-F499 HydrophobicContact CG2-CZ 4.05Å; I495-F499 VanDerWaalsContact O-CD2 3.29Å; I495-F499 WeakPolarHBondContact O-CD2 3.46Å; I495-F499 PolarHBondContact O-N 2.98Å; I495-F499 VanDerWaalsContact O-N 3.08Å; F499-L501 PolarHBondContact O-N 3.22Å; F499-C502 WeakPolarHBondContact O-CB 3.35Å; F499-C502 PolarHBondContact O-N 3.02Å; F499-M511 HydrophobicContact CD1-CE 3.98Å; F499-M511 HydrophobicContact CE1-CE 3.57Å; F499-F515 HydrophobicContact CE1-CE2 4.19Å; F499-F515 HydrophobicContact CE2-CE2 4.5Å; F499-F515 HydrophobicContact CZ-CD2 4.46Å; F499-F515 AromaticContact CZ-CE2 3.65Å; F499-F515 HydrophobicContact CZ-CE2 3.65Å; F499-F515 HydrophobicContact CZ-CZ 4.07Å; F499-L583 HydrophobicContact CE2-CD2 4.43Å; F499-L583 HydrophobicContact CE2-CG 4.3Å; F499-F584 HydrophobicContact CB-CD1 4.34Å; F499-F584 AromaticContact CD2-CD1 3.91Å; F499-F584 HydrophobicContact CD2-CD1 3.91Å; F499-F584 AromaticContact CD2-CE1 3.66Å; F499-F584 HydrophobicContact CD2-CE1 3.66Å; F499-F584 HydrophobicContact CE2-CD1 4.5Å; F499-F584 AromaticContact CE2-CE1 3.88Å; F499-F584 HydrophobicContact CE2-CE1 3.88Å; F499-F584 HydrophobicContact CE2-CZ 4.41Å; F499-F584 HydrophobicContact CG-CD1 4.26Å; F499-F584 HydrophobicContact CG-CE1 4.02Å; F499-F584 HydrophobicContact CZ-CE1 4.45Å
500	L	89.1	Confident	87.2	Confident	14 Å²	14	21.6 Å²	21.6	7%	0.073	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-7.1	171.8	-49.4	177.7	0	0	0	114	R232 F239 L497 L498 I586 F590	R232-L500 PolarHBondContact NH1-O 2.7Å; F239-L500 HydrophobicContact CZ-CB 4.09Å; L497-L500 HydrophobicContact CD2-CD1 3.81Å; L497-L500 VanDerWaalsContact O-CB 3.29Å; L497-L500 WeakPolarHBondContact O-CB 3.32Å; L497-L500 PolarHBondContact O-N 2.68Å; L497-L500 VanDerWaalsContact O-N 3.11Å; L498-L500 PolarHBondContact O-N 2.8Å; L500-I586 HydrophobicContact CD1-CD1 3.64Å; L500-I586 HydrophobicContact CD1-CG1 3.95Å; L500-I586 HydrophobicContact CD1-CG2 3.98Å; L500-I586 HydrophobicContact CD2-CD1 3.46Å; L500-I586 VanDerWaalsContact CD2-CD1 3.46Å; L500-I586 HydrophobicContact CD2-CG1 3.95Å; L500-I586 HydrophobicContact CG-CD1 4.16Å; L500-I586 HydrophobicContact CG-CG1 4.44Å; L500-F590 HydrophobicContact CD1-CD1 4.49Å; L500-F590 HydrophobicContact CD1-CE1 3.85Å; L500-F590 HydrophobicContact CD1-CZ 4.38Å
501	L	88.9	Confident	87.7	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-12.6	171.2	-57.7	-179.1	0	0	0	112.2	F239 L240 V243 I260 L264 L473 L498 F499	F239-L501 HydrophobicContact CE1-CD2 4.27Å; L240-L501 HydrophobicContact CD1-CD1 4.24Å; L240-L501 HydrophobicContact CD1-CD2 3.79Å; V243-L501 HydrophobicContact CB-CD2 4.27Å; V243-L501 HydrophobicContact CG1-CD1 4.1Å; V243-L501 HydrophobicContact CG1-CD2 4.06Å; V243-L501 HydrophobicContact CG1-CG 4.17Å; V243-L501 HydrophobicContact CG2-CD2 4.15Å; I260-L501 HydrophobicContact CG2-CB 4.25Å; I260-L501 HydrophobicContact CG2-CD1 4.41Å; I260-L501 HydrophobicContact CG2-CD2 4.18Å; L264-L501 HydrophobicContact CD1-CD2 4.39Å; L473-L501 HydrophobicContact CD1-CB 3.79Å; L473-L501 HydrophobicContact CD2-CB 3.71Å; L473-L501 HydrophobicContact CD2-CD1 3.74Å; L473-L501 HydrophobicContact CD2-CG 4.39Å; L473-L501 HydrophobicContact CG-CB 4.42Å; L498-L501 HydrophobicContact CD2-CD1 4.28Å; L498-L501 WeakPolarHBondContact O-CB 3.44Å; L498-L501 PolarHBondContact O-N 2.88Å; F499-L501 PolarHBondContact O-N 3.22Å
502	C	89	Confident	88	Confident	0 Å²	0	21 Å²	21	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-78.1	150.6	172	-62.9	0	0	0	0	111.2	R232 L473 F499 I504 V507	R232-C502 PolarHBondContact NH1-O 3.4Å; R232-C502 PolarHBondContact NH2-O 3.31Å; L473-C502 VanDerWaalsContact CD1-SG 3.6Å; F499-C502 WeakPolarHBondContact O-CB 3.35Å; F499-C502 PolarHBondContact O-N 3.02Å; C502-I504 PolarHBondContact O-N 3.01Å; C502-V507 HydrophobicContact CB-CG2 3.57Å
503	P	87.7	Confident	88.3	Confident	25 Å²	25	19.2 Å²	19.2	16%	0.162	9%	0.092	C	C	.	.			trans	-52.1	132.5	175.6	-27.9	35.7	0	0	0	112.7	I263 D267 R505 L506 V507	I263-P503 HydrophobicContact CG2-CG 4.04Å; D267-P503 HydrophobicContact CB-CB 4.38Å; D267-P503 WeakPolarHBondContact OD1-CA 3.37Å; D267-P503 WeakPolarHBondContact OD1-CB 3.43Å; P503-R505 VanDerWaalsContact C-N 3.31Å; P503-R505 PolarHBondContact O-N 2.98Å; P503-L506 HydrophobicContact CB-CB 4.09Å; P503-L506 WeakPolarHBondContact O-CB 3.43Å; P503-L506 PolarHBondContact O-N 2.96Å; P503-L506 VanDerWaalsContact O-N 3.11Å; P503-V507 PolarHBondContact O-N 3.02Å; P503-V507 VanDerWaalsContact O-N 3.11Å
504	I	87.4	Confident	88.8	Confident	15 Å²	15	18.6 Å²	18.6	8%	0.077	9%	0.09	C	C	.	.	H	α-helix	trans	-59.8	-45.3	-169.7	-66.2	163.8	0	0	0	110.7	Y229 R232 D267 L271 C502 L506 V507 Q508	Y229-I504 HydrophobicContact CD1-CD1 3.39Å; Y229-I504 HydrophobicContact CD1-CG1 4.04Å; Y229-I504 HydrophobicContact CE1-CD1 3.81Å; Y229-I504 HydrophobicContact CE1-CG1 3.92Å; Y229-I504 HydrophobicContact CE1-CG2 4.05Å; Y229-I504 HydrophobicContact CG-CD1 4.27Å; R232-I504 VanDerWaalsContact CZ-CG1 3.45Å; D267-I504 PolarHBondContact OD1-N 3.32Å; D267-I504 PolarHBondContact OD2-N 3.11Å; D267-I504 VanDerWaalsContact OD2-N 3.08Å; L271-I504 HydrophobicContact CD1-CB 4.39Å; L271-I504 HydrophobicContact CD1-CD1 3.71Å; C502-I504 PolarHBondContact O-N 3.01Å; I504-L506 VanDerWaalsContact C-N 3.32Å; I504-L506 PolarHBondContact O-N 3.48Å; I504-V507 PolarHBondContact O-N 3.49Å; I504-Q508 HydrophobicContact CG2-CG 4.21Å; I504-Q508 WeakPolarHBondContact O-CG 3.38Å; I504-Q508 PolarHBondContact O-N 2.98Å
505	R	86	Confident	89.1	Confident	36 Å²	36	18.7 Å²	18.7	14%	0.136	9%	0.09	C	C	.	.	H	α-helix	trans	-58.6	-42.1	178.7	-173.7	-178.8	-178.1	171.6	2.5	112.5	N343 Y346 P503 Q508 Q509	N343-R505 PolarHBondContact OD1-NH1 3.47Å; N343-R505 PolarHBondContact OD1-NH2 2.85Å; Y346-R505 HydrophobicContact CD1-CG 4.32Å; Y346-R505 HydrophobicContact CE1-CG 4.24Å; P503-R505 VanDerWaalsContact C-N 3.31Å; P503-R505 PolarHBondContact O-N 2.98Å; R505-Q508 PolarHBondContact O-N 3.49Å; R505-Q509 HydrophobicContact CG-CG 4.17Å; R505-Q509 VanDerWaalsContact O-CB 3.29Å; R505-Q509 WeakPolarHBondContact O-CB 3.13Å; R505-Q509 PolarHBondContact O-N 3.33Å
506	L	88.2	Confident	89.2	Confident	16 Å²	16	21.2 Å²	21.2	8%	0.084	10%	0.102	C	C	.	.	H	α-helix	trans	-64.9	-42.4	179	-177.4	62.1	0	0	0	111.4	Y346 L468 P503 I504 I510 M511	Y346-L506 HydrophobicContact CE1-CB 4.5Å; Y346-L506 HydrophobicContact CE1-CD1 4.09Å; L468-L506 HydrophobicContact CD2-CD1 4.14Å; L468-L506 WeakPolarHBondContact O-CD2 3.48Å; P503-L506 HydrophobicContact CB-CB 4.09Å; P503-L506 WeakPolarHBondContact O-CB 3.43Å; P503-L506 PolarHBondContact O-N 2.96Å; P503-L506 VanDerWaalsContact O-N 3.11Å; I504-L506 VanDerWaalsContact C-N 3.32Å; I504-L506 PolarHBondContact O-N 3.48Å; L506-I510 HydrophobicContact CD1-CB 4.25Å; L506-I510 HydrophobicContact CD1-CD1 4.06Å; L506-I510 PolarHBondContact O-N 3.49Å; L506-M511 HydrophobicContact CG-CG 4.29Å; L506-M511 HydrophobicContact CG-SD 4.23Å; L506-M511 PolarHBondContact O-N 3.25Å
507	V	88.6	Confident	89.3	Confident	19 Å²	19	20.7 Å²	20.7	12%	0.115	10%	0.1	C	C	.	.	I	π-helix	trans	-64.9	-48.8	176.9	178.5	0	0	0	0	111	C502 P503 I504 M511 K512 F584	C502-V507 HydrophobicContact CB-CG2 3.57Å; P503-V507 PolarHBondContact O-N 3.02Å; P503-V507 VanDerWaalsContact O-N 3.11Å; I504-V507 PolarHBondContact O-N 3.49Å; V507-M511 HydrophobicContact CG2-SD 4.06Å; V507-M511 PolarHBondContact O-N 3.45Å; V507-K512 WeakPolarHBondContact O-CB 3.5Å; V507-K512 PolarHBondContact O-N 3.34Å; V507-F584 HydrophobicContact CG1-CD1 3.75Å; V507-F584 HydrophobicContact CG1-CE1 3.92Å
508	Q	86.7	Confident	89.5	Confident	99 Å²	99	20.7 Å²	20.7	46%	0.463	10%	0.1	S	C	.	.	I	π-helix	trans	-73.8	-43.9	-174.4	-70.1	177.9	-13.9	0	0	113.8	Y229 I504 R505 P513	Y229-Q508 PolarHBondContact OH-NE2 2.94Å; I504-Q508 HydrophobicContact CG2-CG 4.21Å; I504-Q508 WeakPolarHBondContact O-CG 3.38Å; I504-Q508 PolarHBondContact O-N 2.98Å; R505-Q508 PolarHBondContact O-N 3.49Å; Q508-P513 WeakPolarHBondContact O-CD 3.32Å
509	Q	86	Confident	89.5	Confident	54 Å²	54	20.7 Å²	20.7	25%	0.252	10%	0.1	S	C	.	.	I	π-helix	trans	-88.2	-22.2	-173.4	-62.5	-176.3	-17.7	0	0	113.7	Y346 R505	Y346-Q509 HydrophobicContact CD1-CB 4.34Å; R505-Q509 HydrophobicContact CG-CG 4.17Å; R505-Q509 VanDerWaalsContact O-CB 3.29Å; R505-Q509 WeakPolarHBondContact O-CB 3.13Å; R505-Q509 PolarHBondContact O-N 3.33Å
510	I	89.1	Confident	89.4	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-126.3	-59.9	-175.2	-56.5	-175.3	0	0	0	111.8	W345 Y346 V349 L353 L461 L468 L506 K512 P513 L514	W345-I510 HydrophobicContact CE3-CD1 4.17Å; W345-I510 HydrophobicContact CH2-CD1 3.4Å; W345-I510 VanDerWaalsContact CH2-CD1 3.4Å; W345-I510 HydrophobicContact CZ2-CD1 4.44Å; W345-I510 HydrophobicContact CZ3-CD1 3.24Å; Y346-I510 HydrophobicContact CD1-CD1 3.55Å; Y346-I510 HydrophobicContact CD1-CG1 3.98Å; Y346-I510 HydrophobicContact CE1-CD1 3.55Å; Y346-I510 HydrophobicContact CE1-CG1 4.11Å; V349-I510 HydrophobicContact CB-CD1 4.24Å; V349-I510 HydrophobicContact CG1-CD1 3.8Å; V349-I510 HydrophobicContact CG1-CG1 3.83Å; V349-I510 HydrophobicContact CG1-CG2 4.13Å; L353-I510 HydrophobicContact CD1-CG2 4.34Å; L461-I510 HydrophobicContact CD2-CG2 3.82Å; L468-I510 HydrophobicContact CD1-CG2 4.48Å; L468-I510 HydrophobicContact CD2-CG2 4.31Å; L506-I510 HydrophobicContact CD1-CB 4.25Å; L506-I510 HydrophobicContact CD1-CD1 4.06Å; L506-I510 PolarHBondContact O-N 3.49Å; I510-K512 PolarHBondContact O-N 2.91Å; I510-P513 WeakPolarHBondContact O-CD 3.29Å; I510-L514 WeakPolarHBondContact O-CB 3.3Å; I510-L514 PolarHBondContact O-N 3.17Å
511	M	90.3	Very high	89.5	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	I	π-helix	trans	-66.4	-44.7	-169.2	-54.3	179	80.8	0	0	112.4	I469 F499 L506 V507 L514 F515 F542	I469-M511 HydrophobicContact CG1-CE 4.13Å; F499-M511 HydrophobicContact CD1-CE 3.98Å; F499-M511 HydrophobicContact CE1-CE 3.57Å; L506-M511 HydrophobicContact CG-CG 4.29Å; L506-M511 HydrophobicContact CG-SD 4.23Å; L506-M511 PolarHBondContact O-N 3.25Å; V507-M511 HydrophobicContact CG2-SD 4.06Å; V507-M511 PolarHBondContact O-N 3.45Å; M511-L514 PolarHBondContact O-N 3.1Å; M511-F515 HydrophobicContact CB-CD2 4.46Å; M511-F515 WeakPolarHBondContact O-CB 3.29Å; M511-F515 VanDerWaalsContact O-CD2 3.24Å; M511-F515 WeakPolarHBondContact O-CD2 3.35Å; M511-F515 PolarHBondContact O-N 3.26Å; M511-F542 HydrophobicContact CE-CD1 4.11Å; M511-F542 HydrophobicContact CE-CE1 3.84Å
512	K	90.5	Very high	89.6	Confident	77 Å²	77	22.3 Å²	22.3	34%	0.335	11%	0.108	S	C	.	.	H	α-helix	trans	-62.4	-52.4	179.1	175.1	178.3	179.4	-179.2	0	112.1	V507 I510 L514 F515 E516 F584	V507-K512 WeakPolarHBondContact O-CB 3.5Å; V507-K512 PolarHBondContact O-N 3.34Å; I510-K512 PolarHBondContact O-N 2.91Å; K512-L514 VanDerWaalsContact C-N 3.32Å; K512-L514 PolarHBondContact O-N 2.93Å; K512-F515 PolarHBondContact O-N 3.35Å; K512-E516 PolarHBondContact O-N 2.77Å; K512-F584 HydrophobicContact CB-CD2 4.07Å; K512-F584 HydrophobicContact CB-CE1 4.5Å; K512-F584 HydrophobicContact CB-CE2 3.77Å; K512-F584 HydrophobicContact CB-CZ 4Å; K512-F584 HydrophobicContact CD-CD2 4.25Å; K512-F584 HydrophobicContact CG-CD2 3.89Å; K512-F584 HydrophobicContact CG-CE2 3.87Å
513	P	90.6	Very high	89.6	Confident	18 Å²	18	25.2 Å²	25.2	12%	0.117	12%	0.123	C	C	.	.	H	α-helix	trans	-63.4	-33.4	174.5	-22	32.8	0	0	0	113.6	L353 L357 Q508 I510 E516 L517	L353-P513 HydrophobicContact CB-CB 4.11Å; L353-P513 HydrophobicContact CD1-CB 4.21Å; L357-P513 HydrophobicContact CD1-CB 4.17Å; Q508-P513 WeakPolarHBondContact O-CD 3.32Å; I510-P513 WeakPolarHBondContact O-CD 3.29Å; P513-E516 PolarHBondContact O-N 2.94Å; P513-L517 WeakPolarHBondContact O-CB 3.44Å; P513-L517 PolarHBondContact O-N 3.32Å
514	L	92.4	Very high	89.6	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.5	-42.3	176.8	-179.5	59.9	0	0	0	112.1	L353 L461 L468 I510 M511 K512 E516 L517 M518 F538 F542	L353-L514 HydrophobicContact CD2-CB 4.17Å; L353-L514 HydrophobicContact CD2-CD1 4.1Å; L461-L514 HydrophobicContact CD1-CD1 4.44Å; L461-L514 HydrophobicContact CD1-CD2 3.98Å; L468-L514 HydrophobicContact CD1-CD2 3.79Å; I510-L514 WeakPolarHBondContact O-CB 3.3Å; I510-L514 PolarHBondContact O-N 3.17Å; M511-L514 PolarHBondContact O-N 3.1Å; K512-L514 VanDerWaalsContact C-N 3.32Å; K512-L514 PolarHBondContact O-N 2.93Å; L514-E516 VanDerWaalsContact C-N 3.34Å; L514-L517 PolarHBondContact O-N 3.06Å; L514-M518 HydrophobicContact CD1-CG 4.38Å; L514-M518 HydrophobicContact CD1-SD 4.4Å; L514-M518 HydrophobicContact CG-SD 4.17Å; L514-M518 WeakPolarHBondContact O-CB 3.39Å; L514-M518 VanDerWaalsContact O-CG 3.24Å; L514-M518 WeakPolarHBondContact O-CG 3.35Å; L514-M518 PolarHBondContact O-N 3.4Å; L514-F538 HydrophobicContact CD1-CD1 4.35Å; L514-F538 HydrophobicContact CD1-CE1 3.75Å; L514-F538 HydrophobicContact CD1-CZ 4.31Å; L514-F538 HydrophobicContact CD2-CD1 4.47Å; L514-F542 HydrophobicContact CD2-CE2 3.81Å; L514-F542 HydrophobicContact CD2-CZ 3.7Å; L514-F542 HydrophobicContact CG-CZ 4.37Å
515	F	93	Very high	89.5	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.009	16%	0.155	C	C	.	.	H	α-helix	trans	-67.7	-33.4	173.5	-84.8	-68.2	0	0	0	112.3	F499 M511 K512 A519 F542 L563 C566 V567 A570 V580 F584	F499-F515 HydrophobicContact CE1-CE2 4.19Å; F499-F515 HydrophobicContact CE2-CE2 4.5Å; F499-F515 HydrophobicContact CZ-CD2 4.46Å; F499-F515 AromaticContact CZ-CE2 3.65Å; F499-F515 HydrophobicContact CZ-CE2 3.65Å; F499-F515 HydrophobicContact CZ-CZ 4.07Å; M511-F515 HydrophobicContact CB-CD2 4.46Å; M511-F515 WeakPolarHBondContact O-CB 3.29Å; M511-F515 VanDerWaalsContact O-CD2 3.24Å; M511-F515 WeakPolarHBondContact O-CD2 3.35Å; M511-F515 PolarHBondContact O-N 3.26Å; K512-F515 PolarHBondContact O-N 3.35Å; F515-A519 WeakPolarHBondContact O-CB 3.34Å; F515-A519 PolarHBondContact O-N 2.87Å; F515-F542 AromaticContact CE2-CE1 3.6Å; F515-F542 HydrophobicContact CE2-CE1 3.6Å; F515-F542 AromaticContact CE2-CZ 3.89Å; F515-F542 HydrophobicContact CE2-CZ 3.89Å; F515-F542 AromaticContact CZ-CE1 3.73Å; F515-F542 HydrophobicContact CZ-CE1 3.73Å; F515-F542 AromaticContact CZ-CZ 3.89Å; F515-F542 HydrophobicContact CZ-CZ 3.89Å; F515-L563 HydrophobicContact CE1-CD1 3.72Å; F515-L563 HydrophobicContact CZ-CD1 3.74Å; F515-C566 HydrophobicContact CE1-CB 3.56Å; F515-C566 HydrophobicContact CZ-CB 3.8Å; F515-V567 HydrophobicContact CD1-CG2 4.37Å; F515-V567 HydrophobicContact CE1-CG2 4.12Å; F515-A570 HydrophobicContact CD1-CB 4.46Å; F515-V580 HydrophobicContact CB-CG1 4.21Å; F515-F584 HydrophobicContact CB-CE2 4.46Å; F515-F584 HydrophobicContact CB-CZ 4.33Å; F515-F584 AromaticContact CD2-CZ 3.87Å; F515-F584 HydrophobicContact CD2-CZ 3.87Å; F515-F584 HydrophobicContact CG-CZ 4.44Å
516	E	90.8	Very high	89.5	Confident	53 Å²	53	34.2 Å²	34.2	25%	0.248	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-47	170.5	-167.7	-170.7	140.7	0	0	111.8	L357 K512 P513 L514 A519 K520 V580	L357-E516 HydrophobicContact CD2-CG 4.27Å; K512-E516 PolarHBondContact O-N 2.77Å; P513-E516 PolarHBondContact O-N 2.94Å; L514-E516 VanDerWaalsContact C-N 3.34Å; E516-A519 PolarHBondContact O-N 3.44Å; E516-K520 HydrophobicContact CG-CD 4.29Å; E516-K520 WeakPolarHBondContact O-CB 3.4Å; E516-K520 WeakPolarHBondContact O-CG 3.45Å; E516-K520 PolarHBondContact O-N 2.89Å; E516-K520 WeakPolarHBondContact OE1-CE 3.24Å; E516-K520 IonicContact OE1-NZ 3.69Å; E516-K520 PolarHBondContact OE1-NZ 2.86Å; E516-V580 HydrophobicContact CB-CG2 4.33Å; E516-V580 HydrophobicContact CG-CG2 4.36Å
517	L	91.2	Very high	89.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-44.7	176.7	178.8	58.3	0	0	0	112.1	L353 M356 L357 Y362 F368 L457 P513 L514 K520 V521	L353-L517 HydrophobicContact CD2-CD2 3.82Å; M356-L517 HydrophobicContact CB-CD1 4.15Å; M356-L517 HydrophobicContact CB-CD2 4.16Å; M356-L517 HydrophobicContact CE-CD1 4.18Å; M356-L517 HydrophobicContact CE-CD2 4.15Å; M356-L517 HydrophobicContact SD-CD2 3.84Å; L357-L517 HydrophobicContact CD2-CB 4.04Å; L357-L517 HydrophobicContact CD2-CD1 4.19Å; L357-L517 HydrophobicContact CG-CB 4.45Å; Y362-L517 HydrophobicContact CD1-CD1 4.01Å; Y362-L517 HydrophobicContact CG-CD1 3.96Å; F368-L517 HydrophobicContact CE2-CD2 4.46Å; F368-L517 HydrophobicContact CE2-CG 4.48Å; F368-L517 HydrophobicContact CZ-CD2 3.94Å; F368-L517 HydrophobicContact CZ-CG 4.43Å; L457-L517 HydrophobicContact CD2-CD2 3.98Å; P513-L517 WeakPolarHBondContact O-CB 3.44Å; P513-L517 PolarHBondContact O-N 3.32Å; L514-L517 PolarHBondContact O-N 3.06Å; L517-K520 PolarHBondContact O-N 3.16Å; L517-V521 HydrophobicContact CD1-CG2 4.22Å; L517-V521 WeakPolarHBondContact O-CB 3.02Å; L517-V521 VanDerWaalsContact O-CG2 3.29Å; L517-V521 WeakPolarHBondContact O-CG2 3.06Å; L517-V521 PolarHBondContact O-N 2.91Å
518	M	91.9	Very high	89.4	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.5	-40.7	176.2	-69.7	174.8	80.1	0	0	112	L514 A522 L534 F538 F542 L563 V567	L514-M518 HydrophobicContact CD1-CG 4.38Å; L514-M518 HydrophobicContact CD1-SD 4.4Å; L514-M518 HydrophobicContact CG-SD 4.17Å; L514-M518 WeakPolarHBondContact O-CB 3.39Å; L514-M518 VanDerWaalsContact O-CG 3.24Å; L514-M518 WeakPolarHBondContact O-CG 3.35Å; L514-M518 PolarHBondContact O-N 3.4Å; M518-A522 WeakPolarHBondContact O-CB 3.46Å; M518-A522 PolarHBondContact O-N 3.5Å; M518-L534 HydrophobicContact CB-CD1 4.19Å; M518-L534 HydrophobicContact CE-CB 3.85Å; M518-L534 VanDerWaalsContact O-CD1 3.22Å; M518-L534 WeakPolarHBondContact O-CD1 3.46Å; M518-F538 HydrophobicContact CE-CB 3.75Å; M518-F538 HydrophobicContact CE-CD2 3.77Å; M518-F538 HydrophobicContact CE-CG 3.81Å; M518-F538 HydrophobicContact SD-CB 4.4Å; M518-F538 HydrophobicContact SD-CD1 4.36Å; M518-F538 HydrophobicContact SD-CD2 4.33Å; M518-F538 HydrophobicContact SD-CG 4.12Å; M518-F542 HydrophobicContact SD-CE2 4.37Å; M518-L563 HydrophobicContact CE-CD2 4.26Å; M518-L563 HydrophobicContact CE-CG 4.41Å; M518-V567 HydrophobicContact CB-CG1 4.49Å; M518-V567 HydrophobicContact CB-CG2 4.4Å; M518-V567 HydrophobicContact CE-CG2 3.41Å; M518-V567 VanDerWaalsContact CE-CG2 3.41Å; M518-V567 HydrophobicContact SD-CG2 4.24Å
519	A	90.7	Very high	89.4	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.1	-40.9	177	0	0	0	0	0	112.2	F515 E516 A522 N523 A570 L574 V580	F515-A519 WeakPolarHBondContact O-CB 3.34Å; F515-A519 PolarHBondContact O-N 2.87Å; E516-A519 PolarHBondContact O-N 3.44Å; A519-A522 PolarHBondContact O-N 3.37Å; A519-N523 WeakPolarHBondContact O-CB 3.27Å; A519-N523 PolarHBondContact O-N 3.08Å; A519-N523 VanDerWaalsContact O-N 3.11Å; A519-A570 HydrophobicContact CB-CB 3.9Å; A519-L574 HydrophobicContact CB-CB 4.35Å; A519-L574 HydrophobicContact CB-CD2 3.78Å; A519-V580 HydrophobicContact CB-CG2 3.75Å
520	K	90.5	Very high	89.5	Confident	47 Å²	47	32.4 Å²	32.4	20%	0.204	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-50	174.2	-79.7	173.2	168.3	171.5	0	111.5	L357 Y362 E516 L517 A522 N523 E524 L574	L357-K520 HydrophobicContact CD2-CD 3.66Å; Y362-K520 HydrophobicContact CD2-CB 4.48Å; Y362-K520 HydrophobicContact CE1-CB 4.25Å; Y362-K520 HydrophobicContact CE1-CD 4Å; Y362-K520 HydrophobicContact CE2-CB 3.83Å; E516-K520 HydrophobicContact CG-CD 4.29Å; E516-K520 WeakPolarHBondContact O-CB 3.4Å; E516-K520 WeakPolarHBondContact O-CG 3.45Å; E516-K520 PolarHBondContact O-N 2.89Å; E516-K520 WeakPolarHBondContact OE1-CE 3.24Å; E516-K520 IonicContact OE1-NZ 3.69Å; E516-K520 PolarHBondContact OE1-NZ 2.86Å; L517-K520 PolarHBondContact O-N 3.16Å; K520-A522 VanDerWaalsContact C-N 3.3Å; K520-A522 PolarHBondContact O-N 3Å; K520-N523 PolarHBondContact O-N 3.28Å; K520-E524 PolarHBondContact O-N 2.68Å; K520-L574 HydrophobicContact CG-CD2 3.82Å
521	V	90.7	Very high	89.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-36.8	177.1	170.4	0	0	0	0	112.6	Y362 I367 F368 L517 N523 C527 V529 L534	Y362-V521 HydrophobicContact CD2-CG2 3.8Å; Y362-V521 HydrophobicContact CG-CG2 4.1Å; I367-V521 HydrophobicContact CG2-CG1 3.61Å; I367-V521 HydrophobicContact CG2-CG2 4.03Å; F368-V521 HydrophobicContact CE2-CG2 4.42Å; L517-V521 HydrophobicContact CD1-CG2 4.22Å; L517-V521 WeakPolarHBondContact O-CB 3.02Å; L517-V521 VanDerWaalsContact O-CG2 3.29Å; L517-V521 WeakPolarHBondContact O-CG2 3.06Å; L517-V521 PolarHBondContact O-N 2.91Å; V521-N523 VanDerWaalsContact C-N 3.28Å; V521-N523 PolarHBondContact O-N 3.24Å; V521-C527 HydrophobicContact CG1-CB 4.06Å; V521-V529 HydrophobicContact CG1-CB 4.18Å; V521-V529 HydrophobicContact CG1-CG2 4.42Å; V521-L534 HydrophobicContact CB-CD1 4.34Å; V521-L534 HydrophobicContact CG1-CD1 4.16Å; V521-L534 HydrophobicContact CG1-CD2 4.06Å
522	A	89.9	Confident	89.7	Confident	7 Å²	7	37.1 Å²	37.1	6%	0.058	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-13.4	174.8	0	0	0	0	0	114.3	M518 A519 K520 E531 L534 R571	M518-A522 WeakPolarHBondContact O-CB 3.46Å; M518-A522 PolarHBondContact O-N 3.5Å; A519-A522 PolarHBondContact O-N 3.37Å; K520-A522 VanDerWaalsContact C-N 3.3Å; K520-A522 PolarHBondContact O-N 3Å; A522-E531 HydrophobicContact CB-CG 4Å; A522-L534 HydrophobicContact CB-CD1 3.93Å; A522-R571 PolarHBondContact O-NE 3.25Å; A522-R571 PolarHBondContact O-NH2 2.98Å
523	N	88.7	Confident	89.7	Confident	62 Å²	62	34.5 Å²	34.5	33%	0.332	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-31.2	178.8	-158.6	60.9	0	0	0	112.7	A519 K520 V521 K575	A519-N523 WeakPolarHBondContact O-CB 3.27Å; A519-N523 PolarHBondContact O-N 3.08Å; A519-N523 VanDerWaalsContact O-N 3.11Å; K520-N523 PolarHBondContact O-N 3.28Å; V521-N523 VanDerWaalsContact C-N 3.28Å; V521-N523 PolarHBondContact O-N 3.24Å; N523-K575 WeakPolarHBondContact OD1-CE 3.39Å
524	E	88.1	Confident	89.8	Confident	46 Å²	46	33.7 Å²	33.7	22%	0.215	18%	0.179	C	C	.	.			trans	-74.7	126.7	176.9	-65.7	-54.5	160.4	0	0	112.7	Y362 K363 K520 E526	Y362-E524 HydrophobicContact CD2-CG 4.47Å; Y362-E524 HydrophobicContact CE2-CG 3.62Å; K363-E524 VanDerWaalsContact CE-CD 3.45Å; K363-E524 WeakPolarHBondContact CE-OE1 3.25Å; K363-E524 HydrophobicContact CG-CG 4.31Å; K363-E524 IonicContact NZ-OE1 3.5Å; K520-E524 PolarHBondContact O-N 2.68Å; E524-E526 VanDerWaalsContact C-N 3.33Å; E524-E526 PolarHBondContact O-N 2.89Å
525	P	84.7	Confident	89.7	Confident	105 Å²	105	33.7 Å²	33.7	68%	0.682	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-68.4	-31.8	176.9	28	-33.4	0	0	0	112.5	C527 E528	P525-C527 PolarHBondContact O-N 3.02Å; P525-E528 PolarHBondContact O-N 3.04Å
526	E	86.6	Confident	89.6	Confident	114 Å²	114	37.1 Å²	37.1	53%	0.533	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-61.2	-27.6	-177.8	-61.5	-179.3	168.1	0	0	113.4	R365 E524 E528	R365-E526 WeakPolarHBondContact CA-O 3.47Å; E524-E526 VanDerWaalsContact C-N 3.33Å; E524-E526 PolarHBondContact O-N 2.89Å; E526-E528 VanDerWaalsContact C-N 3.33Å; E526-E528 PolarHBondContact O-N 2.98Å
527	C	87	Confident	89.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-71.5	-26.2	-179.8	-69.2	0	0	0	0	112.7	Y362 F366 I367 V521 P525 V529	Y362-C527 PolarHBondContact O-SG 2.96Å; Y362-C527 VanDerWaalsContact O-SG 3.33Å; F366-C527 WeakPolarHBondContact CA-O 3.49Å; F366-C527 PolarHBondContact N-O 3.29Å; I367-C527 HydrophobicContact CG2-CB 4.32Å; V521-C527 HydrophobicContact CG1-CB 4.06Å; P525-C527 PolarHBondContact O-N 3.02Å; C527-V529 HydrophobicContact CB-CG2 4.44Å; C527-V529 VanDerWaalsContact O-CG2 3.29Å; C527-V529 WeakPolarHBondContact O-CG2 3.39Å; C527-V529 PolarHBondContact O-N 3.01Å
528	E	87.4	Confident	89.5	Confident	81 Å²	81	35.9 Å²	35.9	38%	0.379	19%	0.194	S	C	.	.			trans	48.8	39.7	-171.7	-63.2	-177.1	-174.2	0	0	113.3	R365 F366 R369 P525 E526	R365-E528 HydrophobicContact CG-CB 4.46Å; R365-E528 HydrophobicContact CG-CG 4.26Å; R365-E528 IonicContact CZ-OE1 3.72Å; R365-E528 IonicContact CZ-OE2 2.72Å; R365-E528 IonicContact NE-OE1 2.67Å; R365-E528 PolarHBondContact NE-OE1 3.11Å; R365-E528 VanDerWaalsContact NE-OE1 3.08Å; R365-E528 IonicContact NE-OE2 3.95Å; R365-E528 PolarHBondContact NE-OE2 3.08Å; R365-E528 VanDerWaalsContact NH2-CD 3.28Å; R365-E528 IonicContact NH2-OE1 2.78Å; R365-E528 PolarHBondContact NH2-OE1 3.33Å; R365-E528 IonicContact NH2-OE2 3.14Å; R365-E528 PolarHBondContact NH2-OE2 2.8Å; F366-E528 HydrophobicContact CD1-CB 4.07Å; F366-E528 HydrophobicContact CE1-CB 3.76Å; F366-E528 WeakPolarHBondContact CE1-OE2 3.44Å; F366-E528 WeakPolarHBondContact CE2-OE2 3.39Å; F366-E528 HydrophobicContact CZ-CB 4.23Å; F366-E528 WeakPolarHBondContact CZ-OE2 3.36Å; R369-E528 PolarHBondContact NH1-O 2.81Å; P525-E528 PolarHBondContact O-N 3.04Å; E526-E528 VanDerWaalsContact C-N 3.33Å; E526-E528 PolarHBondContact O-N 2.98Å
529	V	87.8	Confident	89.4	Confident	9 Å²	9	36.3 Å²	36.3	6%	0.055	20%	0.197	C	C	.	.			trans	-128.7	121.8	175.6	-161.9	0	0	0	0	111.3	I367 R369 V521 C527 L534	I367-V529 HydrophobicContact CG2-CG2 4.46Å; R369-V529 HydrophobicContact CG-CG1 4.46Å; V521-V529 HydrophobicContact CG1-CB 4.18Å; V521-V529 HydrophobicContact CG1-CG2 4.42Å; C527-V529 HydrophobicContact CB-CG2 4.44Å; C527-V529 VanDerWaalsContact O-CG2 3.29Å; C527-V529 WeakPolarHBondContact O-CG2 3.39Å; C527-V529 PolarHBondContact O-N 3.01Å; V529-L534 HydrophobicContact CG1-CD2 3.85Å; V529-L534 HydrophobicContact CG1-CG 3.83Å
530	D	88.5	Confident	89.3	Confident	59 Å²	59	37.6 Å²	37.6	32%	0.316	21%	0.206	S	C	.	.			trans	-85.5	161.2	176.8	57.6	-71.6	0	0	0	113.2	R369 T532 S533 L534	R369-D530 IonicContact CZ-OD1 2.89Å; R369-D530 IonicContact NH1-OD1 3.89Å; R369-D530 IonicContact NH2-OD1 2.8Å; R369-D530 PolarHBondContact NH2-OD1 3.19Å; D530-T532 VanDerWaalsContact C-N 3.27Å; D530-T532 PolarHBondContact O-N 3.39Å; D530-T532 WeakPolarHBondContact OD2-CB 3.44Å; D530-T532 PolarHBondContact OD2-N 3.33Å; D530-S533 VanDerWaalsContact CG-OG 3.24Å; D530-S533 PolarHBondContact O-N 3.26Å; D530-S533 VanDerWaalsContact O-N 3.11Å; D530-S533 VanDerWaalsContact OD1-CB 3.25Å; D530-S533 WeakPolarHBondContact OD1-CB 3.22Å; D530-S533 PolarHBondContact OD1-OG 2.72Å; D530-S533 WeakPolarHBondContact OD2-CB 3.29Å; D530-S533 PolarHBondContact OD2-N 3.23Å; D530-S533 PolarHBondContact OD2-OG 2.86Å; D530-L534 PolarHBondContact O-N 3.21Å
531	E	90.5	Very high	89.1	Confident	32 Å²	32	35.5 Å²	35.5	15%	0.15	20%	0.197	C	C	.	.	H	α-helix	trans	-57.1	-40	179.8	-59.1	93.9	142.5	0	0	112.3	A522 S533 L534 A535 N564 V567 R571	A522-E531 HydrophobicContact CB-CG 4Å; E531-S533 VanDerWaalsContact C-N 3.29Å; E531-S533 PolarHBondContact O-N 3Å; E531-L534 PolarHBondContact O-N 3.41Å; E531-A535 VanDerWaalsContact O-CB 3.31Å; E531-A535 WeakPolarHBondContact O-CB 3.45Å; E531-A535 PolarHBondContact O-N 2.86Å; E531-N564 WeakPolarHBondContact CB-OD1 3.22Å; E531-V567 HydrophobicContact CB-CG1 3.96Å; E531-V567 HydrophobicContact CG-CG1 3.99Å; E531-R571 WeakPolarHBondContact OE1-CD 3.45Å; E531-R571 IonicContact OE1-CZ 2.84Å; E531-R571 IonicContact OE1-NE 2.7Å; E531-R571 IonicContact OE1-NH1 2.59Å; E531-R571 PolarHBondContact OE1-NH1 3.32Å; E531-R571 IonicContact OE2-NH1 2.67Å
532	T	91.5	Very high	89	Confident	68 Å²	68	35.6 Å²	35.6	42%	0.417	20%	0.197	S	C	.	.	H	α-helix	trans	-63.7	-38.8	-179.7	-53.9	0	0	0	0	110.6	D530 A535 V536 N564	D530-T532 VanDerWaalsContact C-N 3.27Å; D530-T532 PolarHBondContact O-N 3.39Å; D530-T532 WeakPolarHBondContact OD2-CB 3.44Å; D530-T532 PolarHBondContact OD2-N 3.33Å; T532-A535 WeakPolarHBondContact O-CB 3.4Å; T532-A535 PolarHBondContact O-N 3.35Å; T532-V536 WeakPolarHBondContact O-CG2 3.28Å; T532-V536 PolarHBondContact O-N 3.14Å; T532-N564 PolarHBondContact OG1-ND2 3.45Å
533	S	91.1	Very high	88.8	Confident	22 Å²	22	35.8 Å²	35.8	15%	0.154	20%	0.197	C	C	.	.	H	α-helix	trans	-75.6	-36.6	179.2	-65.8	0	0	0	0	113.8	R369 D530 E531 A535 V536 L537	R369-S533 VanDerWaalsContact NH2-CB 3.27Å; R369-S533 PolarHBondContact NH2-OG 3.33Å; D530-S533 VanDerWaalsContact CG-OG 3.24Å; D530-S533 PolarHBondContact O-N 3.26Å; D530-S533 VanDerWaalsContact O-N 3.11Å; D530-S533 VanDerWaalsContact OD1-CB 3.25Å; D530-S533 WeakPolarHBondContact OD1-CB 3.22Å; D530-S533 PolarHBondContact OD1-OG 2.72Å; D530-S533 WeakPolarHBondContact OD2-CB 3.29Å; D530-S533 PolarHBondContact OD2-N 3.23Å; D530-S533 PolarHBondContact OD2-OG 2.86Å; E531-S533 VanDerWaalsContact C-N 3.29Å; E531-S533 PolarHBondContact O-N 3Å; S533-A535 VanDerWaalsContact C-N 3.28Å; S533-V536 PolarHBondContact O-N 3.24Å; S533-L537 VanDerWaalsContact O-CG 3.32Å; S533-L537 WeakPolarHBondContact O-CG 3.46Å; S533-L537 PolarHBondContact O-N 2.92Å
534	L	92	Very high	88.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-42.4	166.7	-69.2	175.9	0	0	0	110.5	F368 M518 V521 A522 V529 D530 E531 V536 L537 F538 V567	F368-L534 HydrophobicContact CD2-CD2 4.35Å; M518-L534 HydrophobicContact CB-CD1 4.19Å; M518-L534 HydrophobicContact CE-CB 3.85Å; M518-L534 VanDerWaalsContact O-CD1 3.22Å; M518-L534 WeakPolarHBondContact O-CD1 3.46Å; V521-L534 HydrophobicContact CB-CD1 4.34Å; V521-L534 HydrophobicContact CG1-CD1 4.16Å; V521-L534 HydrophobicContact CG1-CD2 4.06Å; A522-L534 HydrophobicContact CB-CD1 3.93Å; V529-L534 HydrophobicContact CG1-CD2 3.85Å; V529-L534 HydrophobicContact CG1-CG 3.83Å; D530-L534 PolarHBondContact O-N 3.21Å; E531-L534 PolarHBondContact O-N 3.41Å; L534-V536 PolarHBondContact O-N 3.06Å; L534-L537 PolarHBondContact O-N 3.09Å; L534-F538 HydrophobicContact CD2-CE2 4.27Å; L534-F538 WeakPolarHBondContact O-CB 3.21Å; L534-F538 WeakPolarHBondContact O-CD2 3.41Å; L534-F538 PolarHBondContact O-N 3.21Å; L534-V567 HydrophobicContact CD1-CG1 4.42Å
535	A	91.7	Very high	87.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-40	176.7	0	0	0	0	0	112.8	E531 T532 S533 S539 I560 L563 N564	E531-A535 VanDerWaalsContact O-CB 3.31Å; E531-A535 WeakPolarHBondContact O-CB 3.45Å; E531-A535 PolarHBondContact O-N 2.86Å; T532-A535 WeakPolarHBondContact O-CB 3.4Å; T532-A535 PolarHBondContact O-N 3.35Å; S533-A535 VanDerWaalsContact C-N 3.28Å; A535-S539 WeakPolarHBondContact O-CA 3.24Å; A535-S539 WeakPolarHBondContact O-CB 3.42Å; A535-S539 PolarHBondContact O-N 2.76Å; A535-I560 HydrophobicContact CB-CG2 4.1Å; A535-L563 HydrophobicContact CB-CB 4.17Å; A535-L563 HydrophobicContact CB-CG 4.36Å; A535-N564 HydrophobicContact CB-CB 3.68Å
536	V	90.5	Very high	86.7	Confident	75 Å²	75	33.7 Å²	33.7	46%	0.455	17%	0.171	S	C	.	.	H	α-helix	trans	-62.9	-45.1	174.1	170.2	0	0	0	0	111.6	T532 S533 L534 P540 I560	T532-V536 WeakPolarHBondContact O-CG2 3.28Å; T532-V536 PolarHBondContact O-N 3.14Å; S533-V536 PolarHBondContact O-N 3.24Å; L534-V536 PolarHBondContact O-N 3.06Å; V536-P540 VanDerWaalsContact O-CD 3.32Å; V536-P540 WeakPolarHBondContact O-CD 3.44Å; V536-I560 HydrophobicContact CG2-CD1 4.33Å; V536-I560 HydrophobicContact CG2-CG2 3.77Å
537	L	89.2	Confident	85.6	Confident	24 Å²	24	33.4 Å²	33.4	13%	0.126	18%	0.181	C	C	.	.	H	α-helix	trans	-69.1	-40.9	-177.5	-71	170.7	0	0	0	113	F113 F368 R369 R462 S533 L534	F113-L537 HydrophobicContact CE1-CD2 4.03Å; F113-L537 HydrophobicContact CZ-CD2 4.17Å; F368-L537 HydrophobicContact CB-CD1 4.01Å; R369-L537 HydrophobicContact CG-CD1 3.81Å; R462-L537 PolarHBondContact NH2-O 2.98Å; S533-L537 VanDerWaalsContact O-CG 3.32Å; S533-L537 WeakPolarHBondContact O-CG 3.46Å; S533-L537 PolarHBondContact O-N 2.92Å; L534-L537 PolarHBondContact O-N 3.09Å
538	F	91.1	Very high	84.4	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-95.3	-18.2	-174.3	-76.3	-92.1	0	0	0	114	F368 L514 M518 L534 P540 I541 F542 L563	F368-F538 HydrophobicContact CB-CE2 4.22Å; F368-F538 HydrophobicContact CD1-CE2 4.08Å; F368-F538 AromaticContact CD1-CZ 3.7Å; F368-F538 HydrophobicContact CD1-CZ 3.7Å; F368-F538 HydrophobicContact CD2-CE2 4.06Å; F368-F538 HydrophobicContact CD2-CZ 4.22Å; F368-F538 HydrophobicContact CE1-CE2 4.47Å; F368-F538 AromaticContact CE1-CZ 3.74Å; F368-F538 HydrophobicContact CE1-CZ 3.74Å; F368-F538 HydrophobicContact CE2-CE2 4.45Å; F368-F538 HydrophobicContact CE2-CZ 4.25Å; F368-F538 AromaticContact CG-CE2 3.86Å; F368-F538 HydrophobicContact CG-CE2 3.86Å; F368-F538 AromaticContact CG-CZ 3.95Å; F368-F538 HydrophobicContact CG-CZ 3.95Å; F368-F538 HydrophobicContact CZ-CZ 4.01Å; L514-F538 HydrophobicContact CD1-CD1 4.35Å; L514-F538 HydrophobicContact CD1-CE1 3.75Å; L514-F538 HydrophobicContact CD1-CZ 4.31Å; L514-F538 HydrophobicContact CD2-CD1 4.47Å; M518-F538 HydrophobicContact CE-CB 3.75Å; M518-F538 HydrophobicContact CE-CD2 3.77Å; M518-F538 HydrophobicContact CE-CG 3.81Å; M518-F538 HydrophobicContact SD-CB 4.4Å; M518-F538 HydrophobicContact SD-CD1 4.36Å; M518-F538 HydrophobicContact SD-CD2 4.33Å; M518-F538 HydrophobicContact SD-CG 4.12Å; L534-F538 HydrophobicContact CD2-CE2 4.27Å; L534-F538 WeakPolarHBondContact O-CB 3.21Å; L534-F538 WeakPolarHBondContact O-CD2 3.41Å; L534-F538 PolarHBondContact O-N 3.21Å; F538-P540 VanDerWaalsContact C-N 3.35Å; F538-I541 HydrophobicContact CD1-CD1 3.72Å; F538-I541 HydrophobicContact CE1-CD1 4.09Å; F538-I541 HydrophobicContact CG-CD1 4.37Å; F538-I541 WeakPolarHBondContact O-CA 3.45Å; F538-I541 VanDerWaalsContact O-CB 3.27Å; F538-I541 WeakPolarHBondContact O-CB 3.35Å; F538-I541 PolarHBondContact O-N 3.09Å; F538-F542 HydrophobicContact CB-CD2 4.21Å; F538-F542 HydrophobicContact CB-CE2 4.16Å; F538-F542 HydrophobicContact CD1-CE2 4.43Å; F538-F542 WeakPolarHBondContact O-CD2 3.5Å; F538-F542 PolarHBondContact O-N 2.64Å; F538-F542 VanDerWaalsContact O-N 3.09Å; F538-L563 VanDerWaalsContact C-CD2 3.41Å; F538-L563 HydrophobicContact CB-CD2 3.56Å
539	S	89.8	Confident	83.5	Confident	9 Å²	9	35.9 Å²	35.9	6%	0.063	20%	0.202	C	C	.	.	H	α-helix	trans	-52.1	-45.7	177.1	160.3	0	0	0	0	113.1	A535 I541 F542 F543 P559 L563	A535-S539 WeakPolarHBondContact O-CA 3.24Å; A535-S539 WeakPolarHBondContact O-CB 3.42Å; A535-S539 PolarHBondContact O-N 2.76Å; S539-I541 PolarHBondContact O-N 2.89Å; S539-F542 PolarHBondContact O-N 3.46Å; S539-F543 PolarHBondContact O-N 3.21Å; S539-P559 WeakPolarHBondContact OG-CB 3.3Å; S539-L563 VanDerWaalsContact N-CD2 3.29Å
540	P	86.9	Confident	82.5	Confident	27 Å²	27	38.5 Å²	38.5	18%	0.175	22%	0.218	C	C	.	.	H	α-helix	trans	-57.1	-27.6	171.1	-29.5	37.8	0	0	0	115.4	V536 F538 L544 L554	V536-P540 VanDerWaalsContact O-CD 3.32Å; V536-P540 WeakPolarHBondContact O-CD 3.44Å; F538-P540 VanDerWaalsContact C-N 3.35Å; P540-L544 HydrophobicContact CB-CD1 4Å; P540-L544 HydrophobicContact CG-CD1 4.47Å; P540-L544 WeakPolarHBondContact O-CB 3.38Å; P540-L554 HydrophobicContact CG-CD2 4.25Å
541	I	88	Confident	81.3	Confident	4 Å²	4	40.9 Å²	40.9	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-80.5	-34.6	-179.7	-60.9	175	0	0	0	110.8	A458 L461 R462 G467 L468 F538 S539	A458-I541 HydrophobicContact CB-CD1 4.12Å; A458-I541 WeakPolarHBondContact O-CD1 3.25Å; L461-I541 HydrophobicContact CB-CG2 3.49Å; L461-I541 VanDerWaalsContact CB-CG2 3.49Å; L461-I541 HydrophobicContact CD1-CG2 4.35Å; R462-I541 HydrophobicContact CB-CG1 4.21Å; G467-I541 WeakPolarHBondContact CA-O 3.25Å; L468-I541 HydrophobicContact CD1-CG2 3.87Å; L468-I541 HydrophobicContact CG-CG2 4.16Å; L468-I541 PolarHBondContact N-O 3.27Å; F538-I541 HydrophobicContact CD1-CD1 3.72Å; F538-I541 HydrophobicContact CE1-CD1 4.09Å; F538-I541 HydrophobicContact CG-CD1 4.37Å; F538-I541 WeakPolarHBondContact O-CA 3.45Å; F538-I541 VanDerWaalsContact O-CB 3.27Å; F538-I541 WeakPolarHBondContact O-CB 3.35Å; F538-I541 PolarHBondContact O-N 3.09Å; S539-I541 PolarHBondContact O-N 2.89Å
542	F	88.5	Confident	80.3	Confident	1 Å²	1	45.8 Å²	45.8	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-82.9	-36.4	178.8	-78.7	-100.9	0	0	0	113.3	G467 L468 I469 M511 L514 F515 M518 F538 S539 L563	G467-F542 CarbonylContact C-O 3.59Å; L468-F542 HydrophobicContact CB-CD1 4.05Å; L468-F542 HydrophobicContact CB-CE1 4.43Å; L468-F542 HydrophobicContact CB-CG 4.37Å; L468-F542 HydrophobicContact CD1-CD1 4.35Å; L468-F542 HydrophobicContact CD1-CD2 4.29Å; L468-F542 HydrophobicContact CD1-CE1 4.18Å; L468-F542 HydrophobicContact CD1-CE2 4.13Å; L468-F542 HydrophobicContact CD1-CG 4.42Å; L468-F542 HydrophobicContact CD1-CZ 4.08Å; L468-F542 PolarHBondContact N-O 2.82Å; I469-F542 HydrophobicContact CD1-CB 4.23Å; I469-F542 HydrophobicContact CD1-CD1 4.13Å; I469-F542 HydrophobicContact CG1-CB 4.48Å; I469-F542 HydrophobicContact CG1-CD1 4.1Å; I469-F542 PolarHBondContact N-O 3.28Å; M511-F542 HydrophobicContact CE-CD1 4.11Å; M511-F542 HydrophobicContact CE-CE1 3.84Å; L514-F542 HydrophobicContact CD2-CE2 3.81Å; L514-F542 HydrophobicContact CD2-CZ 3.7Å; L514-F542 HydrophobicContact CG-CZ 4.37Å; F515-F542 AromaticContact CE2-CE1 3.6Å; F515-F542 HydrophobicContact CE2-CE1 3.6Å; F515-F542 AromaticContact CE2-CZ 3.89Å; F515-F542 HydrophobicContact CE2-CZ 3.89Å; F515-F542 AromaticContact CZ-CE1 3.73Å; F515-F542 HydrophobicContact CZ-CE1 3.73Å; F515-F542 AromaticContact CZ-CZ 3.89Å; F515-F542 HydrophobicContact CZ-CZ 3.89Å; M518-F542 HydrophobicContact SD-CE2 4.37Å; F538-F542 HydrophobicContact CB-CD2 4.21Å; F538-F542 HydrophobicContact CB-CE2 4.16Å; F538-F542 HydrophobicContact CD1-CE2 4.43Å; F538-F542 WeakPolarHBondContact O-CD2 3.5Å; F538-F542 PolarHBondContact O-N 2.64Å; F538-F542 VanDerWaalsContact O-N 3.09Å; S539-F542 PolarHBondContact O-N 3.46Å; F542-L563 HydrophobicContact CD1-CD1 4.4Å; F542-L563 HydrophobicContact CD2-CD1 4.01Å; F542-L563 HydrophobicContact CD2-CD2 3.77Å; F542-L563 HydrophobicContact CE1-CD1 4.39Å; F542-L563 HydrophobicContact CE2-CD1 4Å; F542-L563 HydrophobicContact CE2-CD2 4.16Å; F542-L563 HydrophobicContact CG-CD1 4.21Å; F542-L563 HydrophobicContact CG-CD2 4.4Å; F542-L563 HydrophobicContact CZ-CD1 4.19Å
543	F	85.4	Confident	79.1	Confident	11 Å²	11	44.6 Å²	44.6	5%	0.048	26%	0.257	C	S	.	.	H	α-helix	trans	-117.5	-9.9	-163.6	-73.2	-86.7	0	0	0	117.4	I469 R474 F477 S539 P559 V562	I469-F543 HydrophobicContact CD1-CD1 4.41Å; I469-F543 HydrophobicContact CD1-CD2 4.42Å; I469-F543 HydrophobicContact CD1-CE1 3.78Å; I469-F543 HydrophobicContact CD1-CE2 3.8Å; I469-F543 HydrophobicContact CD1-CZ 3.43Å; I469-F543 VanDerWaalsContact CD1-CZ 3.43Å; R474-F543 HydrophobicContact CB-CD1 4.1Å; R474-F543 HydrophobicContact CB-CE1 4.45Å; R474-F543 VanDerWaalsContact CD-O 3.25Å; R474-F543 WeakPolarHBondContact CD-O 3.24Å; R474-F543 HydrophobicContact CG-CD1 3.91Å; R474-F543 HydrophobicContact CG-CE1 4.45Å; R474-F543 VanDerWaalsContact CZ-O 3.28Å; R474-F543 PolarHBondContact NE-O 2.68Å; R474-F543 PolarHBondContact NH1-O 3.41Å; F477-F543 HydrophobicContact CB-CE1 3.95Å; F477-F543 HydrophobicContact CB-CZ 4.18Å; S539-F543 PolarHBondContact O-N 3.21Å; F543-P559 HydrophobicContact CB-CB 3.92Å; F543-P559 HydrophobicContact CB-CG 4.41Å; F543-P559 HydrophobicContact CD1-CB 4.24Å; F543-P559 HydrophobicContact CD2-CB 3.73Å; F543-P559 HydrophobicContact CE2-CB 4.26Å; F543-P559 HydrophobicContact CG-CB 3.72Å; F543-P559 HydrophobicContact CG-CG 4.43Å; F543-V562 HydrophobicContact CE2-CB 4.39Å; F543-V562 HydrophobicContact CE2-CG1 4.45Å; F543-V562 HydrophobicContact CZ-CB 3.94Å; F543-V562 HydrophobicContact CZ-CG1 3.76Å
544	L	80.7	Confident	78	Confident	29 Å²	29	46.6 Å²	46.6	15%	0.152	27%	0.266	C	S	.	.			trans	-111.6	133	-175.3	-64.2	178.9	0	0	0	112.2	P540 T549 L554	P540-L544 HydrophobicContact CB-CD1 4Å; P540-L544 HydrophobicContact CG-CD1 4.47Å; P540-L544 WeakPolarHBondContact O-CB 3.38Å; L544-T549 HydrophobicContact CD1-CG2 4.22Å; L544-L554 HydrophobicContact CD1-CD2 3.37Å; L544-L554 HydrophobicContact CD1-CG 3.74Å
545	D	72.1	Confident	77.1	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.032	30%	0.296	C	S	.	.			trans	-97.2	143.4	166.4	-47.2	-53.9	0	0	0	110.3	G465 I466 G467 N471 R474 S547 T548 T549	G465-D545 VanDerWaalsContact O-CA 3.24Å; G465-D545 WeakPolarHBondContact O-CA 3.31Å; G465-D545 WeakPolarHBondContact O-CB 3.3Å; I466-D545 WeakPolarHBondContact CA-OD1 3.36Å; G467-D545 PolarHBondContact N-OD1 3.47Å; N471-D545 VanDerWaalsContact CG-OD2 3.27Å; N471-D545 PolarHBondContact ND2-OD2 3.36Å; N471-D545 PolarHBondContact OD1-OD1 2.86Å; N471-D545 PolarHBondContact OD1-OD2 2.94Å; N471-D545 VanDerWaalsContact OD1-OD2 3.09Å; R474-D545 IonicContact CZ-OD1 3.01Å; R474-D545 IonicContact CZ-OD2 3.9Å; R474-D545 IonicContact NH1-OD1 3.12Å; R474-D545 PolarHBondContact NH1-OD1 3.11Å; R474-D545 VanDerWaalsContact NH1-OD1 3.14Å; R474-D545 IonicContact NH1-OD2 3.87Å; R474-D545 PolarHBondContact NH1-OD2 3.04Å; R474-D545 IonicContact NH2-OD1 3.7Å; R474-D545 PolarHBondContact NH2-OD1 3.07Å; R474-D545 IonicContact NH2-OD2 3.27Å; D545-S547 PolarHBondContact O-N 3.41Å; D545-S547 VanDerWaalsContact O-N 3.15Å; D545-T548 PolarHBondContact O-N 2.86Å; D545-T548 VanDerWaalsContact O-N 3.11Å; D545-T549 WeakPolarHBondContact O-CB 3.46Å; D545-T549 PolarHBondContact O-N 3.41Å; D545-T549 PolarHBondContact O-OG1 3.41Å
546	R	65.4	Low	76.5	Confident	135 Å²	135	53 Å²	53	51%	0.509	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.5	178	-72	176	173.9	-142.4	-15.7	113.4	R462 G465	R462-R546 VanDerWaalsContact O-CZ 3.25Å; R462-R546 PolarHBondContact O-NE 2.68Å; R462-R546 PolarHBondContact O-NH2 2.91Å; G465-R546 PolarHBondContact O-N 3.02Å
547	S	61.9	Low	76.2	Confident	107 Å²	107	52.6 Å²	52.6	75%	0.748	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-25.5	177.7	50.3	0	0	0	0	114	D545	D545-S547 PolarHBondContact O-N 3.41Å; D545-S547 VanDerWaalsContact O-N 3.15Å
548	T	63.4	Low	76.2	Confident	78 Å²	78	54.1 Å²	54.1	48%	0.479	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-5.3	-173.7	59.9	0	0	0	0	113.7	D545 T550	D545-T548 PolarHBondContact O-N 2.86Å; D545-T548 VanDerWaalsContact O-N 3.11Å; T548-T550 PolarHBondContact O-N 2.81Å
549	T	66.8	Low	76	Confident	55 Å²	55	54.5 Å²	54.5	34%	0.337	32%	0.32	S	S	.	.			trans	-64.1	100.6	-179.9	-62.2	0	0	0	0	111.6	L544 D545 L554	L544-T549 HydrophobicContact CD1-CG2 4.22Å; D545-T549 WeakPolarHBondContact O-CB 3.46Å; D545-T549 PolarHBondContact O-N 3.41Å; D545-T549 PolarHBondContact O-OG1 3.41Å; T549-L554 HydrophobicContact CG2-CD1 3.75Å; T549-L554 HydrophobicContact CG2-CG 3.96Å
550	T	67.2	Low	76	Confident	64 Å²	64	55.9 Å²	55.9	39%	0.393	33%	0.327	S	S	.	.			trans	-89.5	156.5	162.2	65.7	0	0	0	0	110	T548 I552 S553 L554	T548-T550 PolarHBondContact O-N 2.81Å; T550-I552 PolarHBondContact O-N 3.33Å; T550-S553 WeakPolarHBondContact O-CB 3.44Å; T550-S553 PolarHBondContact O-N 3.29Å; T550-S553 PolarHBondContact OG1-N 2.93Å; T550-S553 VanDerWaalsContact OG1-N 3.11Å; T550-S553 PolarHBondContact OG1-OG 3.46Å; T550-L554 PolarHBondContact O-N 2.86Å
551	P	64.6	Low	76.1	Confident	109 Å²	109	59 Å²	59	71%	0.708	34%	0.339	S	S	*	.	H	α-helix	trans	-58.9	-26.5	171.5	23.8	-34.1	0	0	0	112.7	L554 A555	P551-L554 PolarHBondContact O-N 2.86Å; P551-A555 PolarHBondContact O-N 3.42Å; P551-A555 VanDerWaalsContact O-N 3.11Å
552	I	68.1	Low	76.2	Confident	136 Å²	136	58.9 Å²	58.9	70%	0.697	34%	0.338	S	S	*	.	H	α-helix	trans	-67	-39	173	-58	169.5	0	0	0	110.8	T550 L554 A555 N556	T550-I552 PolarHBondContact O-N 3.33Å; I552-L554 VanDerWaalsContact C-N 3.31Å; I552-L554 PolarHBondContact O-N 3.31Å; I552-A555 PolarHBondContact O-N 3.47Å; I552-A555 VanDerWaalsContact O-N 3.15Å; I552-N556 PolarHBondContact O-N 3Å
553	S	66.9	Low	76.4	Confident	42 Å²	42	59 Å²	59	29%	0.294	34%	0.339	S	S	.	.	H	α-helix	trans	-65	-35.1	176.9	-52.6	0	0	0	0	112.2	T550	T550-S553 WeakPolarHBondContact O-CB 3.44Å; T550-S553 PolarHBondContact O-N 3.29Å; T550-S553 PolarHBondContact OG1-N 2.93Å; T550-S553 VanDerWaalsContact OG1-N 3.11Å; T550-S553 PolarHBondContact OG1-OG 3.46Å
554	L	68.4	Low	76.7	Confident	65 Å²	65	59.9 Å²	59.9	34%	0.34	34%	0.344	S	S	.	.	H	α-helix	trans	-71.2	-29.2	172.8	-79.9	159.9	0	0	0	113.2	P540 L544 T549 T550 P551 I552 N556	P540-L554 HydrophobicContact CG-CD2 4.25Å; L544-L554 HydrophobicContact CD1-CD2 3.37Å; L544-L554 HydrophobicContact CD1-CG 3.74Å; T549-L554 HydrophobicContact CG2-CD1 3.75Å; T549-L554 HydrophobicContact CG2-CG 3.96Å; T550-L554 PolarHBondContact O-N 2.86Å; P551-L554 PolarHBondContact O-N 2.86Å; I552-L554 VanDerWaalsContact C-N 3.31Å; I552-L554 PolarHBondContact O-N 3.31Å; L554-N556 VanDerWaalsContact C-N 3.33Å
555	A	72.3	Confident	77.1	Confident	77 Å²	77	59 Å²	59	64%	0.636	34%	0.34	S	S	*	.	H	α-helix	trans	-83.1	-7	178.5	0	0	0	0	0	113.7	P551 I552 P557	P551-A555 PolarHBondContact O-N 3.42Å; P551-A555 VanDerWaalsContact O-N 3.11Å; I552-A555 PolarHBondContact O-N 3.47Å; I552-A555 VanDerWaalsContact O-N 3.15Å; A555-P557 WeakPolarHBondContact O-CD 3.38Å
556	N	80	Confident	78.1	Confident	58 Å²	58	58.9 Å²	58.9	31%	0.31	34%	0.339	S	S	.	.			trans	-73.3	120.6	179.5	-174.4	-10.7	0	0	0	110.5	I552 L554 L558 P559	I552-N556 PolarHBondContact O-N 3Å; L554-N556 VanDerWaalsContact C-N 3.33Å; N556-L558 WeakPolarHBondContact OD1-CB 3.48Å; N556-L558 WeakPolarHBondContact OD1-CG 3.36Å; N556-L558 PolarHBondContact OD1-N 3Å; N556-P559 WeakPolarHBondContact O-CD 3.31Å
557	P	84.2	Confident	79.3	Confident	66 Å²	66	52.5 Å²	52.5	43%	0.429	32%	0.315	S	S	.	.	S	Bend	trans	-77	-19.4	179.8	32.5	-36.6	0	0	0	113.2	A555 I560 H561	A555-P557 WeakPolarHBondContact O-CD 3.38Å; P557-I560 WeakPolarHBondContact O-CB 3.44Å; P557-I560 PolarHBondContact O-N 3.18Å; P557-I560 VanDerWaalsContact O-N 3.07Å; P557-H561 PolarHBondContact O-CD2 2.8Å; P557-H561 PolarHBondContact O-N 3.29Å
558	L	87.6	Confident	80.7	Confident	55 Å²	55	52.4 Å²	52.4	29%	0.288	30%	0.298	S	S	.	.	H	α-helix	trans	-59.2	-47.3	-173.2	-60.3	170.7	0	0	0	113.1	I478 N556 I560 H561 V562	I478-L558 HydrophobicContact CG2-CB 4.06Å; I478-L558 HydrophobicContact CG2-CD1 3.85Å; N556-L558 WeakPolarHBondContact OD1-CB 3.48Å; N556-L558 WeakPolarHBondContact OD1-CG 3.36Å; N556-L558 PolarHBondContact OD1-N 3Å; L558-I560 VanDerWaalsContact C-N 3.26Å; L558-I560 PolarHBondContact O-N 3.07Å; L558-H561 PolarHBondContact O-N 3.45Å; L558-V562 WeakPolarHBondContact O-CG2 3.42Å; L558-V562 PolarHBondContact O-N 2.97Å
559	P	88.3	Confident	81.9	Confident	10 Å²	10	48.7 Å²	48.7	7%	0.065	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-33.4	174.7	-27.4	38.8	0	0	0	114.1	I478 S539 F543 N556 V562 L563	I478-P559 HydrophobicContact CD1-CG 4.39Å; S539-P559 WeakPolarHBondContact OG-CB 3.3Å; F543-P559 HydrophobicContact CB-CB 3.92Å; F543-P559 HydrophobicContact CB-CG 4.41Å; F543-P559 HydrophobicContact CD1-CB 4.24Å; F543-P559 HydrophobicContact CD2-CB 3.73Å; F543-P559 HydrophobicContact CE2-CB 4.26Å; F543-P559 HydrophobicContact CG-CB 3.72Å; F543-P559 HydrophobicContact CG-CG 4.43Å; N556-P559 WeakPolarHBondContact O-CD 3.31Å; P559-V562 PolarHBondContact O-N 3.18Å; P559-L563 PolarHBondContact O-N 2.86Å
560	I	89.6	Confident	83	Confident	39 Å²	39	46.1 Å²	46.1	20%	0.2	26%	0.26	C	S	.	.	H	α-helix	trans	-67.5	-46.2	176.3	-57.4	171.3	0	0	0	109.5	A535 V536 P557 L558 V562 L563 N564	A535-I560 HydrophobicContact CB-CG2 4.1Å; V536-I560 HydrophobicContact CG2-CD1 4.33Å; V536-I560 HydrophobicContact CG2-CG2 3.77Å; P557-I560 WeakPolarHBondContact O-CB 3.44Å; P557-I560 PolarHBondContact O-N 3.18Å; P557-I560 VanDerWaalsContact O-N 3.07Å; L558-I560 VanDerWaalsContact C-N 3.26Å; L558-I560 PolarHBondContact O-N 3.07Å; I560-V562 VanDerWaalsContact C-N 3.32Å; I560-V562 PolarHBondContact O-N 3.17Å; I560-L563 PolarHBondContact O-N 3.06Å; I560-N564 VanDerWaalsContact O-CB 3.32Å; I560-N564 WeakPolarHBondContact O-CB 3.41Å; I560-N564 PolarHBondContact O-N 3.1Å
561	H	89	Confident	84	Confident	93 Å²	93	45.8 Å²	45.8	43%	0.431	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-37.7	176.7	-63.8	-61.9	0	0	0	112.5	I481 P557 L558 N564 L565	I481-H561 HydrophobicContact CD1-CB 3.45Å; I481-H561 VanDerWaalsContact CD1-CB 3.45Å; I481-H561 WeakPolarHBondContact CD1-O 3.39Å; P557-H561 PolarHBondContact O-CD2 2.8Å; P557-H561 PolarHBondContact O-N 3.29Å; L558-H561 PolarHBondContact O-N 3.45Å; H561-N564 PolarHBondContact O-N 3.09Å; H561-L565 WeakPolarHBondContact O-CB 2.94Å; H561-L565 PolarHBondContact O-N 2.84Å
562	V	90.1	Very high	85.1	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-46.2	176.4	179.2	0	0	0	0	110.8	F477 I481 F543 L558 P559 I560 N564 L565 C566	F477-V562 HydrophobicContact CB-CG1 4.13Å; F477-V562 HydrophobicContact CD1-CG1 3.9Å; F477-V562 HydrophobicContact CG-CG1 4.47Å; F477-V562 WeakPolarHBondContact O-CG2 3.32Å; I481-V562 HydrophobicContact CD1-CB 4.25Å; I481-V562 HydrophobicContact CD1-CG2 3.72Å; I481-V562 VanDerWaalsContact CD1-N 3.25Å; I481-V562 HydrophobicContact CG1-CG2 4.04Å; F543-V562 HydrophobicContact CE2-CB 4.39Å; F543-V562 HydrophobicContact CE2-CG1 4.45Å; F543-V562 HydrophobicContact CZ-CB 3.94Å; F543-V562 HydrophobicContact CZ-CG1 3.76Å; L558-V562 WeakPolarHBondContact O-CG2 3.42Å; L558-V562 PolarHBondContact O-N 2.97Å; P559-V562 PolarHBondContact O-N 3.18Å; I560-V562 VanDerWaalsContact C-N 3.32Å; I560-V562 PolarHBondContact O-N 3.17Å; V562-N564 VanDerWaalsContact C-N 3.34Å; V562-L565 WeakPolarHBondContact O-CB 3.44Å; V562-L565 PolarHBondContact O-N 3.14Å; V562-C566 PolarHBondContact O-N 3.42Å; V562-C566 PolarHBondContact O-SG 3.31Å; V562-C566 VanDerWaalsContact O-SG 3.39Å
563	L	92.2	Very high	86	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-68	-36.5	178.8	-169.9	58.8	0	0	0	111.8	F515 M518 A535 F538 S539 F542 P559 I560 L565 C566 V567	F515-L563 HydrophobicContact CE1-CD1 3.72Å; F515-L563 HydrophobicContact CZ-CD1 3.74Å; M518-L563 HydrophobicContact CE-CD2 4.26Å; M518-L563 HydrophobicContact CE-CG 4.41Å; A535-L563 HydrophobicContact CB-CB 4.17Å; A535-L563 HydrophobicContact CB-CG 4.36Å; F538-L563 VanDerWaalsContact C-CD2 3.41Å; F538-L563 HydrophobicContact CB-CD2 3.56Å; S539-L563 VanDerWaalsContact N-CD2 3.29Å; F542-L563 HydrophobicContact CD1-CD1 4.4Å; F542-L563 HydrophobicContact CD2-CD1 4.01Å; F542-L563 HydrophobicContact CD2-CD2 3.77Å; F542-L563 HydrophobicContact CE1-CD1 4.39Å; F542-L563 HydrophobicContact CE2-CD1 4Å; F542-L563 HydrophobicContact CE2-CD2 4.16Å; F542-L563 HydrophobicContact CG-CD1 4.21Å; F542-L563 HydrophobicContact CG-CD2 4.4Å; F542-L563 HydrophobicContact CZ-CD1 4.19Å; P559-L563 PolarHBondContact O-N 2.86Å; I560-L563 PolarHBondContact O-N 3.06Å; L563-L565 VanDerWaalsContact C-N 3.35Å; L563-L565 PolarHBondContact O-N 3.43Å; L563-C566 PolarHBondContact O-N 3.44Å; L563-V567 HydrophobicContact CD1-CG2 4.26Å; L563-V567 HydrophobicContact CG-CG2 4.23Å; L563-V567 WeakPolarHBondContact O-CB 3.43Å; L563-V567 WeakPolarHBondContact O-CG2 3.36Å; L563-V567 PolarHBondContact O-N 2.8Å
564	N	91.7	Very high	86.9	Confident	30 Å²	30	35.7 Å²	35.7	16%	0.16	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-44.8	173.9	-166	-1.1	0	0	0	111.1	E531 T532 A535 I560 H561 V562 C566 V567 R568	E531-N564 WeakPolarHBondContact CB-OD1 3.22Å; T532-N564 PolarHBondContact OG1-ND2 3.45Å; A535-N564 HydrophobicContact CB-CB 3.68Å; I560-N564 VanDerWaalsContact O-CB 3.32Å; I560-N564 WeakPolarHBondContact O-CB 3.41Å; I560-N564 PolarHBondContact O-N 3.1Å; H561-N564 PolarHBondContact O-N 3.09Å; V562-N564 VanDerWaalsContact C-N 3.34Å; N564-C566 PolarHBondContact O-N 2.96Å; N564-V567 PolarHBondContact O-N 2.84Å; N564-R568 VanDerWaalsContact O-CB 3.27Å; N564-R568 WeakPolarHBondContact O-CB 3.08Å; N564-R568 PolarHBondContact O-N 3.2Å
565	L	90.1	Very high	87.7	Confident	10 Å²	10	37.4 Å²	37.4	5%	0.052	19%	0.194	C	C	.	.	H	α-helix	trans	-58	-49.5	173.3	179.3	61.6	0	0	0	111.5	I481 Q491 I495 H561 V562 L563 V567 R568 L569	I481-L565 HydrophobicContact CG1-CD2 4.48Å; Q491-L565 HydrophobicContact CB-CD2 4.12Å; Q491-L565 HydrophobicContact CG-CD2 4.29Å; I495-L565 HydrophobicContact CD1-CD2 4.1Å; I495-L565 HydrophobicContact CD1-CG 4.12Å; H561-L565 WeakPolarHBondContact O-CB 2.94Å; H561-L565 PolarHBondContact O-N 2.84Å; V562-L565 WeakPolarHBondContact O-CB 3.44Å; V562-L565 PolarHBondContact O-N 3.14Å; L563-L565 VanDerWaalsContact C-N 3.35Å; L563-L565 PolarHBondContact O-N 3.43Å; L565-V567 PolarHBondContact O-N 3.16Å; L565-R568 PolarHBondContact O-N 3.01Å; L565-L569 HydrophobicContact CD1-CD1 4.05Å; L565-L569 HydrophobicContact CD1-CG 4.22Å; L565-L569 HydrophobicContact CG-CD1 4.09Å; L565-L569 WeakPolarHBondContact O-CB 3.46Å; L565-L569 WeakPolarHBondContact O-CG 3.27Å; L565-L569 PolarHBondContact O-N 3.28Å
566	C	91.8	Very high	88.1	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.027	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-39.9	178.1	-66.4	0	0	0	0	113.2	F515 V562 L563 N564 A570	F515-C566 HydrophobicContact CE1-CB 3.56Å; F515-C566 HydrophobicContact CZ-CB 3.8Å; V562-C566 PolarHBondContact O-N 3.42Å; V562-C566 PolarHBondContact O-SG 3.31Å; V562-C566 VanDerWaalsContact O-SG 3.39Å; L563-C566 PolarHBondContact O-N 3.44Å; N564-C566 PolarHBondContact O-N 2.96Å; C566-A570 WeakPolarHBondContact O-CB 3.36Å; C566-A570 PolarHBondContact O-N 3.03Å
567	V	91.5	Very high	87.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-71.2	-42.2	179.5	173.4	0	0	0	0	111.4	F515 M518 E531 L534 L563 N564 L565 A570 R571	F515-V567 HydrophobicContact CD1-CG2 4.37Å; F515-V567 HydrophobicContact CE1-CG2 4.12Å; M518-V567 HydrophobicContact CB-CG1 4.49Å; M518-V567 HydrophobicContact CB-CG2 4.4Å; M518-V567 HydrophobicContact CE-CG2 3.41Å; M518-V567 VanDerWaalsContact CE-CG2 3.41Å; M518-V567 HydrophobicContact SD-CG2 4.24Å; E531-V567 HydrophobicContact CB-CG1 3.96Å; E531-V567 HydrophobicContact CG-CG1 3.99Å; L534-V567 HydrophobicContact CD1-CG1 4.42Å; L563-V567 HydrophobicContact CD1-CG2 4.26Å; L563-V567 HydrophobicContact CG-CG2 4.23Å; L563-V567 WeakPolarHBondContact O-CB 3.43Å; L563-V567 WeakPolarHBondContact O-CG2 3.36Å; L563-V567 PolarHBondContact O-N 2.8Å; N564-V567 PolarHBondContact O-N 2.84Å; L565-V567 PolarHBondContact O-N 3.16Å; V567-A570 WeakPolarHBondContact O-CB 3.39Å; V567-A570 PolarHBondContact O-N 2.87Å; V567-R571 WeakPolarHBondContact O-CB 3.4Å; V567-R571 PolarHBondContact O-N 2.85Å
568	R	90.5	Very high	87.5	Confident	106 Å²	106	42.5 Å²	42.5	40%	0.4	21%	0.209	S	C	.	.	H	α-helix	trans	-60.2	-47.9	174.2	-174.1	175.7	69.6	-175	4.7	110.9	N564 L565 A570 R571 D572	N564-R568 VanDerWaalsContact O-CB 3.27Å; N564-R568 WeakPolarHBondContact O-CB 3.08Å; N564-R568 PolarHBondContact O-N 3.2Å; L565-R568 PolarHBondContact O-N 3.01Å; R568-A570 VanDerWaalsContact C-N 3.35Å; R568-A570 PolarHBondContact O-N 2.95Å; R568-R571 WeakPolarHBondContact O-CB 3.38Å; R568-R571 PolarHBondContact O-N 3.45Å; R568-R571 VanDerWaalsContact O-N 3.15Å; R568-D572 VanDerWaalsContact O-CG 3.25Å; R568-D572 PolarHBondContact O-N 2.85Å
569	L	88.9	Confident	87.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-43.3	174.1	-69.6	175.8	0	0	0	112.3	E488 R492 I495 L565 R571 D572 E573 L583	E488-L569 HydrophobicContact CG-CD2 4.17Å; E488-L569 VanDerWaalsContact OE1-CD2 3.32Å; E488-L569 WeakPolarHBondContact OE1-CD2 3.45Å; R492-L569 HydrophobicContact CG-CD1 3.85Å; R492-L569 HydrophobicContact CG-CD2 3.5Å; R492-L569 HydrophobicContact CG-CG 4.3Å; R492-L569 VanDerWaalsContact CZ-CD2 3.42Å; I495-L569 HydrophobicContact CD1-CD1 3.55Å; L565-L569 HydrophobicContact CD1-CD1 4.05Å; L565-L569 HydrophobicContact CD1-CG 4.22Å; L565-L569 HydrophobicContact CG-CD1 4.09Å; L565-L569 WeakPolarHBondContact O-CB 3.46Å; L565-L569 WeakPolarHBondContact O-CG 3.27Å; L565-L569 PolarHBondContact O-N 3.28Å; L569-R571 VanDerWaalsContact C-N 3.34Å; L569-R571 PolarHBondContact O-N 3.36Å; L569-D572 PolarHBondContact O-N 3.02Å; L569-E573 WeakPolarHBondContact O-CB 3.38Å; L569-E573 VanDerWaalsContact O-CG 3.25Å; L569-E573 WeakPolarHBondContact O-CG 3.3Å; L569-E573 PolarHBondContact O-N 3.14Å; L569-L583 HydrophobicContact CB-CD1 4.16Å
570	A	90	Very high	86.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-42.1	174.8	0	0	0	0	0	112.3	F515 A519 C566 V567 R568 L574 V580 L583	F515-A570 HydrophobicContact CD1-CB 4.46Å; A519-A570 HydrophobicContact CB-CB 3.9Å; C566-A570 WeakPolarHBondContact O-CB 3.36Å; C566-A570 PolarHBondContact O-N 3.03Å; V567-A570 WeakPolarHBondContact O-CB 3.39Å; V567-A570 PolarHBondContact O-N 2.87Å; R568-A570 VanDerWaalsContact C-N 3.35Å; R568-A570 PolarHBondContact O-N 2.95Å; A570-L574 VanDerWaalsContact O-CB 3.26Å; A570-L574 WeakPolarHBondContact O-CB 3.26Å; A570-L574 PolarHBondContact O-N 2.78Å; A570-V580 HydrophobicContact CB-CG1 3.69Å; A570-V580 HydrophobicContact CB-CG2 4.29Å; A570-L583 HydrophobicContact CB-CD2 3.94Å
571	R	89.1	Confident	86.5	Confident	58 Å²	58	40.7 Å²	40.7	22%	0.219	21%	0.206	C	C	.	.	H	α-helix	trans	-64.2	-43	176.4	-172.1	-169.7	-176.6	-160.1	6.9	112	A522 E531 V567 R568 L569 L574 K575	A522-R571 PolarHBondContact O-NE 3.25Å; A522-R571 PolarHBondContact O-NH2 2.98Å; E531-R571 WeakPolarHBondContact OE1-CD 3.45Å; E531-R571 IonicContact OE1-CZ 2.84Å; E531-R571 IonicContact OE1-NE 2.7Å; E531-R571 IonicContact OE1-NH1 2.59Å; E531-R571 PolarHBondContact OE1-NH1 3.32Å; E531-R571 IonicContact OE2-NH1 2.67Å; V567-R571 WeakPolarHBondContact O-CB 3.4Å; V567-R571 PolarHBondContact O-N 2.85Å; R568-R571 WeakPolarHBondContact O-CB 3.38Å; R568-R571 PolarHBondContact O-N 3.45Å; R568-R571 VanDerWaalsContact O-N 3.15Å; L569-R571 VanDerWaalsContact C-N 3.34Å; L569-R571 PolarHBondContact O-N 3.36Å; R571-L574 PolarHBondContact O-N 3.28Å; R571-K575 WeakPolarHBondContact O-CG 3.48Å; R571-K575 PolarHBondContact O-N 3.38Å
572	D	87.5	Confident	86.1	Confident	46 Å²	46	40.8 Å²	40.8	25%	0.246	20%	0.203	C	C	.	.	H	α-helix	trans	-69.6	-39.9	-179.4	-64.5	-28	0	0	0	111.8	R568 L569 K575 T576	R568-D572 VanDerWaalsContact O-CG 3.25Å; R568-D572 PolarHBondContact O-N 2.85Å; L569-D572 PolarHBondContact O-N 3.02Å; D572-K575 PolarHBondContact O-N 2.97Å; D572-T576 WeakPolarHBondContact O-CB 3.49Å; D572-T576 WeakPolarHBondContact O-CG2 3.45Å; D572-T576 PolarHBondContact O-N 3.34Å; D572-T576 VanDerWaalsContact O-N 3.09Å; D572-T576 PolarHBondContact O-OG1 3.21Å
573	E	85.5	Confident	85.9	Confident	10 Å²	10	40.9 Å²	40.9	5%	0.047	20%	0.203	C	C	.	.	H	α-helix	trans	-66.2	-38.5	172.6	-63.3	-72.3	177.1	0	0	111.5	R492 R496 L569 T576 N577 S579 R582	R492-E573 IonicContact NH1-OE1 2.65Å; R492-E573 PolarHBondContact NH1-OE1 3.1Å; R496-E573 IonicContact NH2-OE1 2.74Å; R496-E573 PolarHBondContact NH2-OE1 2.86Å; L569-E573 WeakPolarHBondContact O-CB 3.38Å; L569-E573 VanDerWaalsContact O-CG 3.25Å; L569-E573 WeakPolarHBondContact O-CG 3.3Å; L569-E573 PolarHBondContact O-N 3.14Å; E573-T576 WeakPolarHBondContact CA-OG1 3.39Å; E573-T576 PolarHBondContact O-N 3.47Å; E573-T576 PolarHBondContact O-OG1 3.02Å; E573-N577 PolarHBondContact O-N 3.32Å; E573-N577 PolarHBondContact O-ND2 3.11Å; E573-N577 PolarHBondContact OE2-ND2 2.82Å; E573-S579 CarbonylContact C-O 3.55Å; E573-R582 HydrophobicContact CB-CB 4.34Å; E573-R582 HydrophobicContact CG-CB 4.17Å; E573-R582 WeakPolarHBondContact OE2-CB 3.32Å; E573-R582 WeakPolarHBondContact OE2-CD 3.44Å
574	L	87.4	Confident	85.6	Confident	18 Å²	18	41.7 Å²	41.7	9%	0.094	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-45.5	174.3	-179.6	65.8	0	0	0	112	A519 K520 A570 R571 T576 L578 V580	A519-L574 HydrophobicContact CB-CB 4.35Å; A519-L574 HydrophobicContact CB-CD2 3.78Å; K520-L574 HydrophobicContact CG-CD2 3.82Å; A570-L574 VanDerWaalsContact O-CB 3.26Å; A570-L574 WeakPolarHBondContact O-CB 3.26Å; A570-L574 PolarHBondContact O-N 2.78Å; R571-L574 PolarHBondContact O-N 3.28Å; L574-T576 VanDerWaalsContact C-N 3.33Å; L574-T576 PolarHBondContact O-N 2.67Å; L574-L578 WeakPolarHBondContact O-CA 3.36Å; L574-L578 PolarHBondContact O-N 3.01Å; L574-V580 HydrophobicContact CB-CG2 4.05Å; L574-V580 HydrophobicContact CD1-CG2 4.4Å
575	K	85.3	Confident	85.3	Confident	102 Å²	102	41.6 Å²	41.6	44%	0.443	21%	0.205	S	C	.	.	H	α-helix	trans	-62.9	-37.9	176.7	-75.7	171.8	179.4	171.4	0	112.9	N523 R571 D572	N523-K575 WeakPolarHBondContact OD1-CE 3.39Å; R571-K575 WeakPolarHBondContact O-CG 3.48Å; R571-K575 PolarHBondContact O-N 3.38Å; D572-K575 PolarHBondContact O-N 2.97Å
576	T	80.8	Confident	85.1	Confident	99 Å²	99	41.1 Å²	41.1	61%	0.607	20%	0.203	S	C	*	.	H	α-helix	trans	-87.9	-27.1	-173.5	47.2	0	0	0	0	113.6	D572 E573 L574	D572-T576 WeakPolarHBondContact O-CB 3.49Å; D572-T576 WeakPolarHBondContact O-CG2 3.45Å; D572-T576 PolarHBondContact O-N 3.34Å; D572-T576 VanDerWaalsContact O-N 3.09Å; D572-T576 PolarHBondContact O-OG1 3.21Å; E573-T576 WeakPolarHBondContact CA-OG1 3.39Å; E573-T576 PolarHBondContact O-N 3.47Å; E573-T576 PolarHBondContact O-OG1 3.02Å; L574-T576 VanDerWaalsContact C-N 3.33Å; L574-T576 PolarHBondContact O-N 2.67Å
577	N	72.6	Confident	84.8	Confident	46 Å²	46	41 Å²	41	25%	0.246	20%	0.201	C	C	.	.	H	α-helix	trans	-134.5	14.2	-171.4	-54.7	-80.4	0	0	0	114.1	E573 S579 R582	E573-N577 PolarHBondContact O-N 3.32Å; E573-N577 PolarHBondContact O-ND2 3.11Å; E573-N577 PolarHBondContact OE2-ND2 2.82Å; N577-S579 PolarHBondContact O-N 2.88Å; N577-S579 PolarHBondContact O-OG 3.05Å; N577-R582 WeakPolarHBondContact ND2-CD 3.34Å; N577-R582 PolarHBondContact ND2-NH1 2.89Å; N577-R582 PolarHBondContact OD1-NE 2.92Å; N577-R582 PolarHBondContact OD1-NH1 3.12Å; N577-R582 PolarHBondContact OD1-NH2 2.77Å; N577-R582 VanDerWaalsContact OD1-NH2 3.11Å
578	L	77.5	Confident	84.5	Confident	162 Å²	162	42.3 Å²	42.3	85%	0.848	21%	0.211	S	C	*	.	S	Bend	trans	56	9.9	-178.7	-61.6	165.6	0	0	0	114.6	L574	L574-L578 WeakPolarHBondContact O-CA 3.36Å; L574-L578 PolarHBondContact O-N 3.01Å
579	S	79.7	Confident	84.2	Confident	48 Å²	48	38.3 Å²	38.3	34%	0.336	20%	0.197	S	C	.	.	S	Bend	trans	-154.9	147.6	-177.7	68.1	0	0	0	0	112.5	E573 N577 A581	E573-S579 CarbonylContact C-O 3.55Å; N577-S579 PolarHBondContact O-N 2.88Å; N577-S579 PolarHBondContact O-OG 3.05Å; S579-A581 PolarHBondContact O-N 3.44Å
580	V	83.9	Confident	84.2	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.024	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-80.5	2.2	174.3	-177.1	0	0	0	0	111.9	F515 E516 A519 A570 L574 R582 L583 F584	F515-V580 HydrophobicContact CB-CG1 4.21Å; E516-V580 HydrophobicContact CB-CG2 4.33Å; E516-V580 HydrophobicContact CG-CG2 4.36Å; A519-V580 HydrophobicContact CB-CG2 3.75Å; A570-V580 HydrophobicContact CB-CG1 3.69Å; A570-V580 HydrophobicContact CB-CG2 4.29Å; L574-V580 HydrophobicContact CB-CG2 4.05Å; L574-V580 HydrophobicContact CD1-CG2 4.4Å; V580-R582 PolarHBondContact O-N 2.96Å; V580-R582 VanDerWaalsContact O-N 3.14Å; V580-L583 HydrophobicContact CG1-CB 4.13Å; V580-L583 HydrophobicContact CG1-CD2 4.21Å; V580-L583 WeakPolarHBondContact O-CB 3.44Å; V580-L583 PolarHBondContact O-N 3.49Å; V580-F584 HydrophobicContact CG1-CE2 4.14Å
581	A	81	Confident	84	Confident	15 Å²	15	39 Å²	39	12%	0.124	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-54.2	-38.7	-175.5	0	0	0	0	0	113.1	S579 L583 F584 Q585	S579-A581 PolarHBondContact O-N 3.44Å; A581-L583 PolarHBondContact O-N 3.17Å; A581-L583 VanDerWaalsContact O-N 3.16Å; A581-F584 CarbonylContact O-C 3.57Å; A581-F584 PolarHBondContact O-N 3.24Å; A581-Q585 PolarHBondContact O-N 2.74Å; A581-Q585 VanDerWaalsContact O-N 3.08Å
582	R	81.7	Confident	83.9	Confident	95 Å²	95	41 Å²	41	36%	0.358	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-62.4	-17.8	179.1	-75.2	-168.5	170.7	-174.7	3.8	116	I221 R496 E573 N577 V580 F584	I221-R582 HydrophobicContact CD1-CB 4.03Å; I221-R582 HydrophobicContact CD1-CG 3.65Å; R496-R582 PolarHBondContact NE-O 2.79Å; R496-R582 PolarHBondContact NH2-O 2.7Å; E573-R582 HydrophobicContact CB-CB 4.34Å; E573-R582 HydrophobicContact CG-CB 4.17Å; E573-R582 WeakPolarHBondContact OE2-CB 3.32Å; E573-R582 WeakPolarHBondContact OE2-CD 3.44Å; N577-R582 WeakPolarHBondContact ND2-CD 3.34Å; N577-R582 PolarHBondContact ND2-NH1 2.89Å; N577-R582 PolarHBondContact OD1-NE 2.92Å; N577-R582 PolarHBondContact OD1-NH1 3.12Å; N577-R582 PolarHBondContact OD1-NH2 2.77Å; N577-R582 VanDerWaalsContact OD1-NH2 3.11Å; V580-R582 PolarHBondContact O-N 2.96Å; V580-R582 VanDerWaalsContact O-N 3.14Å; R582-F584 VanDerWaalsContact C-N 3.26Å
583	L	84.5	Confident	83.9	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.016	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-72.3	-23.6	171.6	-172.8	61.5	0	0	0	112.1	I495 R496 F499 L569 A570 V580 A581	I495-L583 HydrophobicContact CG2-CD1 3.83Å; I495-L583 HydrophobicContact CG2-CG 4.49Å; R496-L583 WeakPolarHBondContact CG-O 3.26Å; F499-L583 HydrophobicContact CE2-CD2 4.43Å; F499-L583 HydrophobicContact CE2-CG 4.3Å; L569-L583 HydrophobicContact CB-CD1 4.16Å; A570-L583 HydrophobicContact CB-CD2 3.94Å; V580-L583 HydrophobicContact CG1-CB 4.13Å; V580-L583 HydrophobicContact CG1-CD2 4.21Å; V580-L583 WeakPolarHBondContact O-CB 3.44Å; V580-L583 PolarHBondContact O-N 3.49Å; A581-L583 PolarHBondContact O-N 3.17Å; A581-L583 VanDerWaalsContact O-N 3.16Å
584	F	86	Confident	84.1	Confident	19 Å²	19	38.3 Å²	38.3	8%	0.083	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-4.1	179.9	-57.6	-80.2	0	0	0	113.4	F499 V507 K512 F515 V580 A581 R582	F499-F584 HydrophobicContact CB-CD1 4.34Å; F499-F584 AromaticContact CD2-CD1 3.91Å; F499-F584 HydrophobicContact CD2-CD1 3.91Å; F499-F584 AromaticContact CD2-CE1 3.66Å; F499-F584 HydrophobicContact CD2-CE1 3.66Å; F499-F584 HydrophobicContact CE2-CD1 4.5Å; F499-F584 AromaticContact CE2-CE1 3.88Å; F499-F584 HydrophobicContact CE2-CE1 3.88Å; F499-F584 HydrophobicContact CE2-CZ 4.41Å; F499-F584 HydrophobicContact CG-CD1 4.26Å; F499-F584 HydrophobicContact CG-CE1 4.02Å; F499-F584 HydrophobicContact CZ-CE1 4.45Å; V507-F584 HydrophobicContact CG1-CD1 3.75Å; V507-F584 HydrophobicContact CG1-CE1 3.92Å; K512-F584 HydrophobicContact CB-CD2 4.07Å; K512-F584 HydrophobicContact CB-CE1 4.5Å; K512-F584 HydrophobicContact CB-CE2 3.77Å; K512-F584 HydrophobicContact CB-CZ 4Å; K512-F584 HydrophobicContact CD-CD2 4.25Å; K512-F584 HydrophobicContact CG-CD2 3.89Å; K512-F584 HydrophobicContact CG-CE2 3.87Å; F515-F584 HydrophobicContact CB-CE2 4.46Å; F515-F584 HydrophobicContact CB-CZ 4.33Å; F515-F584 AromaticContact CD2-CZ 3.87Å; F515-F584 HydrophobicContact CD2-CZ 3.87Å; F515-F584 HydrophobicContact CG-CZ 4.44Å; V580-F584 HydrophobicContact CG1-CE2 4.14Å; A581-F584 CarbonylContact O-C 3.57Å; A581-F584 PolarHBondContact O-N 3.24Å; R582-F584 VanDerWaalsContact C-N 3.26Å
585	Q	85.9	Confident	84.1	Confident	29 Å²	29	38.9 Å²	38.9	14%	0.136	20%	0.203	C	C	.	.			trans	-74.4	158.7	168.3	-72.4	178.2	-0.6	0	0	110.9	I221 A222 E223 R496 A581	I221-Q585 HydrophobicContact CB-CB 4.2Å; A222-Q585 WeakPolarHBondContact O-CA 3.27Å; A222-Q585 WeakPolarHBondContact O-CB 3.47Å; E223-Q585 HydrophobicContact CG-CG 4.2Å; E223-Q585 PolarHBondContact OE1-NE2 2.79Å; R496-Q585 WeakPolarHBondContact CB-O 3.48Å; R496-Q585 VanDerWaalsContact CD-O 3.25Å; R496-Q585 WeakPolarHBondContact CD-O 3.37Å; R496-Q585 WeakPolarHBondContact CG-O 3.3Å; A581-Q585 PolarHBondContact O-N 2.74Å; A581-Q585 VanDerWaalsContact O-N 3.08Å
586	I	85.9	Confident	84.2	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.4	-162.8	-50.5	168.1	0	0	0	108.6	I221 A222 P224 L228 L497 L500 S588 F590	I221-I586 WeakPolarHBondContact CA-O 3.45Å; A222-I586 PolarHBondContact N-O 3.3Å; A222-I586 PolarHBondContact O-N 2.94Å; P224-I586 HydrophobicContact CB-CD1 3.73Å; P224-I586 HydrophobicContact CG-CD1 4.43Å; L228-I586 HydrophobicContact CD1-CD1 3.51Å; L228-I586 HydrophobicContact CD2-CD1 4.49Å; L497-I586 HydrophobicContact CD2-CG2 4.01Å; L500-I586 HydrophobicContact CD1-CD1 3.64Å; L500-I586 HydrophobicContact CD1-CG1 3.95Å; L500-I586 HydrophobicContact CD1-CG2 3.98Å; L500-I586 HydrophobicContact CD2-CD1 3.46Å; L500-I586 VanDerWaalsContact CD2-CD1 3.46Å; L500-I586 HydrophobicContact CD2-CG1 3.95Å; L500-I586 HydrophobicContact CG-CD1 4.16Å; L500-I586 HydrophobicContact CG-CG1 4.44Å; I586-S588 PolarHBondContact O-N 3.04Å; I586-F590 HydrophobicContact CG2-CB 4.21Å; I586-F590 HydrophobicContact CG2-CD1 3.49Å; I586-F590 VanDerWaalsContact CG2-CD1 3.49Å; I586-F590 HydrophobicContact CG2-CE1 4.22Å; I586-F590 HydrophobicContact CG2-CG 4.13Å
587	P	86	Confident	84.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48	123.5	168.2	-32.7	39.3	0	0	0	112.4	L217 R493 L589 F590 L591	L217-P587 WeakPolarHBondContact O-CB 3.29Å; R493-P587 HydrophobicContact CG-CG 4.23Å; P587-L589 PolarHBondContact O-N 3.15Å; P587-F590 HydrophobicContact CB-CB 4.22Å; P587-F590 WeakPolarHBondContact O-CA 3.45Å; P587-F590 WeakPolarHBondContact O-CB 3.24Å; P587-F590 PolarHBondContact O-N 3.06Å; P587-L591 PolarHBondContact O-N 3.22Å
588	S	84.5	Confident	85.4	Confident	29 Å²	29	31.9 Å²	31.9	20%	0.203	16%	0.16	C	C	.	.	H	α-helix	trans	-56	-32.8	178.2	54.5	0	0	0	0	112.9	F220 I586 F590 L591 H592	F220-S588 WeakPolarHBondContact CB-OG 3.37Å; F220-S588 WeakPolarHBondContact O-CB 3.41Å; F220-S588 PolarHBondContact O-N 3.25Å; F220-S588 PolarHBondContact O-OG 2.95Å; I586-S588 PolarHBondContact O-N 3.04Å; S588-F590 PolarHBondContact O-N 3.36Å; S588-L591 WeakPolarHBondContact O-CB 3.25Å; S588-L591 PolarHBondContact O-N 2.9Å; S588-H592 WeakPolarHBondContact O-CB 3.05Å; S588-H592 PolarHBondContact O-N 2.95Å
589	L	85.5	Confident	85.9	Confident	22 Å²	22	28.4 Å²	28.4	12%	0.115	14%	0.141	C	C	.	.	H	α-helix	trans	-63.2	-40.4	174	-167.2	73	0	0	0	112.1	L217 Y246 P587 D593	L217-L589 HydrophobicContact CD2-CB 4.37Å; L217-L589 HydrophobicContact CD2-CD2 3.36Å; L217-L589 HydrophobicContact CD2-CG 4.49Å; Y246-L589 WeakPolarHBondContact OH-CG 3.33Å; Y246-L589 PolarHBondContact OH-O 3.24Å; P587-L589 PolarHBondContact O-N 3.15Å; L589-D593 WeakPolarHBondContact O-CB 3.34Å; L589-D593 PolarHBondContact O-N 3.25Å
590	F	87.3	Confident	86.3	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.1	-41.1	174.8	177.3	-86.3	0	0	0	110.8	L228 F239 L242 V243 Y246 L497 L500 I586 P587 S588 D593 C594	L228-F590 HydrophobicContact CD1-CD1 4.19Å; L228-F590 HydrophobicContact CD1-CE1 3.88Å; F239-F590 HydrophobicContact CE2-CE1 4.12Å; F239-F590 AromaticContact CE2-CZ 3.88Å; F239-F590 HydrophobicContact CE2-CZ 3.88Å; F239-F590 HydrophobicContact CZ-CZ 4.34Å; L242-F590 HydrophobicContact CB-CE2 4.39Å; L242-F590 HydrophobicContact CD2-CD2 4.37Å; L242-F590 HydrophobicContact CD2-CE2 3.97Å; L242-F590 HydrophobicContact CD2-CZ 4.29Å; L242-F590 HydrophobicContact CG-CD2 4.24Å; L242-F590 HydrophobicContact CG-CE2 3.78Å; L242-F590 HydrophobicContact CG-CZ 4.48Å; V243-F590 HydrophobicContact CG2-CE2 3.9Å; V243-F590 HydrophobicContact CG2-CZ 3.62Å; Y246-F590 HydrophobicContact CD1-CB 4.3Å; Y246-F590 HydrophobicContact CD1-CD2 4.18Å; Y246-F590 AromaticContact CD2-CD2 3.63Å; Y246-F590 HydrophobicContact CD2-CD2 3.63Å; Y246-F590 HydrophobicContact CD2-CE2 4.25Å; Y246-F590 HydrophobicContact CE1-CB 3.9Å; Y246-F590 HydrophobicContact CE1-CD2 4.36Å; Y246-F590 HydrophobicContact CE2-CB 4.44Å; Y246-F590 AromaticContact CE2-CD2 3.82Å; Y246-F590 HydrophobicContact CE2-CD2 3.82Å; Y246-F590 AromaticContact CG-CD2 3.81Å; Y246-F590 HydrophobicContact CG-CD2 3.81Å; Y246-F590 PolarHBondContact OH-N 3.42Å; L497-F590 HydrophobicContact CD2-CD1 4.15Å; L497-F590 HydrophobicContact CD2-CD2 4.01Å; L497-F590 HydrophobicContact CD2-CE1 4.27Å; L497-F590 HydrophobicContact CD2-CE2 4.15Å; L497-F590 HydrophobicContact CD2-CG 4.01Å; L497-F590 HydrophobicContact CD2-CZ 4.28Å; L500-F590 HydrophobicContact CD1-CD1 4.49Å; L500-F590 HydrophobicContact CD1-CE1 3.85Å; L500-F590 HydrophobicContact CD1-CZ 4.38Å; I586-F590 HydrophobicContact CG2-CB 4.21Å; I586-F590 HydrophobicContact CG2-CD1 3.49Å; I586-F590 VanDerWaalsContact CG2-CD1 3.49Å; I586-F590 HydrophobicContact CG2-CE1 4.22Å; I586-F590 HydrophobicContact CG2-CG 4.13Å; P587-F590 HydrophobicContact CB-CB 4.22Å; P587-F590 WeakPolarHBondContact O-CA 3.45Å; P587-F590 WeakPolarHBondContact O-CB 3.24Å; P587-F590 PolarHBondContact O-N 3.06Å; S588-F590 PolarHBondContact O-N 3.36Å; F590-D593 PolarHBondContact O-N 2.78Å; F590-C594 WeakPolarHBondContact CE1-SG 3.25Å; F590-C594 PolarHBondContact O-N 2.83Å; F590-C594 PolarHBondContact O-SG 3.46Å; F590-C594 VanDerWaalsContact O-SG 3.4Å
591	L	87.3	Confident	86.4	Confident	13 Å²	13	29.4 Å²	29.4	7%	0.068	14%	0.142	C	C	.	.	H	α-helix	trans	-61.4	-45.1	176.3	-175.8	61.6	0	0	0	111.7	A222 E223 N225 L228 P587 S588 C594 T595	A222-L591 HydrophobicContact CB-CD2 3.7Å; E223-L591 WeakPolarHBondContact O-CD2 3.28Å; N225-L591 HydrophobicContact CB-CD1 4.02Å; L228-L591 HydrophobicContact CB-CD1 3.92Å; L228-L591 HydrophobicContact CD1-CD1 3.81Å; P587-L591 PolarHBondContact O-N 3.22Å; S588-L591 WeakPolarHBondContact O-CB 3.25Å; S588-L591 PolarHBondContact O-N 2.9Å; L591-C594 WeakPolarHBondContact O-CB 3.43Å; L591-C594 PolarHBondContact O-N 3.12Å; L591-C594 VanDerWaalsContact O-N 3.14Å; L591-T595 PolarHBondContact O-N 3.35Å
592	H	86.4	Confident	86.7	Confident	101 Å²	101	33.5 Å²	33.5	47%	0.468	16%	0.158	S	C	.	.	H	α-helix	trans	-65.4	-38.6	175.7	-174.3	73.3	0	0	0	112.2	S588 C594 T595 R596	S588-H592 WeakPolarHBondContact O-CB 3.05Å; S588-H592 PolarHBondContact O-N 2.95Å; H592-C594 VanDerWaalsContact C-N 3.34Å; H592-T595 PolarHBondContact O-N 2.86Å; H592-R596 PolarHBondContact CD2-NH2 2.9Å; H592-R596 PolarHBondContact NE2-NH2 2.91Å; H592-R596 VanDerWaalsContact O-CB 3.29Å; H592-R596 WeakPolarHBondContact O-CB 3.49Å; H592-R596 PolarHBondContact O-N 3.43Å
593	D	87.8	Confident	87	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-40.3	169.7	-80.3	-24.8	0	0	0	111.6	L242 Y246 L589 F590 R596 N597 C611 S612	L242-D593 HydrophobicContact CD1-CB 4.24Å; L242-D593 HydrophobicContact CD2-CB 4.06Å; Y246-D593 WeakPolarHBondContact CE2-OD2 3.49Å; Y246-D593 PolarHBondContact OH-OD2 3.14Å; L589-D593 WeakPolarHBondContact O-CB 3.34Å; L589-D593 PolarHBondContact O-N 3.25Å; F590-D593 PolarHBondContact O-N 2.78Å; D593-R596 PolarHBondContact O-N 2.94Å; D593-R596 IonicContact OD1-NH1 3.3Å; D593-R596 PolarHBondContact OD1-NH1 3.41Å; D593-N597 WeakPolarHBondContact O-CB 3.4Å; D593-N597 PolarHBondContact O-N 3.27Å; D593-N597 PolarHBondContact O-ND2 2.98Å; D593-C611 WeakPolarHBondContact OD2-CA 3.3Å; D593-S612 VanDerWaalsContact CG-N 3.32Å; D593-S612 WeakPolarHBondContact OD1-CB 3.22Å; D593-S612 PolarHBondContact OD1-N 2.97Å; D593-S612 VanDerWaalsContact OD1-N 3.08Å; D593-S612 PolarHBondContact OD1-OG 3.3Å; D593-S612 PolarHBondContact OD2-N 3.25Å
594	C	88.5	Confident	86.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-51.1	175.1	-73.4	0	0	0	0	112.2	L228 F231 F590 L591 H592 R596 N597 L598	L228-C594 HydrophobicContact CB-CB 4.3Å; L228-C594 HydrophobicContact CG-CB 4.39Å; F231-C594 HydrophobicContact CD1-CB 4.13Å; F590-C594 WeakPolarHBondContact CE1-SG 3.25Å; F590-C594 PolarHBondContact O-N 2.83Å; F590-C594 PolarHBondContact O-SG 3.46Å; F590-C594 VanDerWaalsContact O-SG 3.4Å; L591-C594 WeakPolarHBondContact O-CB 3.43Å; L591-C594 PolarHBondContact O-N 3.12Å; L591-C594 VanDerWaalsContact O-N 3.14Å; H592-C594 VanDerWaalsContact C-N 3.34Å; C594-R596 VanDerWaalsContact C-N 3.34Å; C594-R596 PolarHBondContact O-N 3.45Å; C594-N597 PolarHBondContact O-N 3.32Å; C594-L598 WeakPolarHBondContact O-CB 3.33Å; C594-L598 PolarHBondContact O-N 2.63Å
595	T	88.9	Confident	86	Confident	30 Å²	30	41.2 Å²	41.2	18%	0.184	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-43.6	176.8	-64.5	0	0	0	0	111.3	D227 L591 H592 N597 L598 I599	D227-T595 WeakPolarHBondContact CB-OG1 3.4Å; D227-T595 WeakPolarHBondContact OD2-CG2 3.29Å; D227-T595 PolarHBondContact OD2-OG1 3.11Å; L591-T595 PolarHBondContact O-N 3.35Å; H592-T595 PolarHBondContact O-N 2.86Å; T595-N597 PolarHBondContact O-N 3.12Å; T595-L598 WeakPolarHBondContact O-CB 3.44Å; T595-L598 PolarHBondContact O-N 3.15Å; T595-I599 HydrophobicContact CG2-CD1 3.9Å; T595-I599 WeakPolarHBondContact O-CG1 3.32Å; T595-I599 PolarHBondContact O-N 2.91Å
596	R	87.5	Confident	85.4	Confident	90 Å²	90	45 Å²	45	34%	0.34	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-45.3	177.4	-170.4	-173.4	-65.2	151.7	-10.5	112.1	H592 D593 C594 I599 L600 C610 S612	H592-R596 PolarHBondContact CD2-NH2 2.9Å; H592-R596 PolarHBondContact NE2-NH2 2.91Å; H592-R596 VanDerWaalsContact O-CB 3.29Å; H592-R596 WeakPolarHBondContact O-CB 3.49Å; H592-R596 PolarHBondContact O-N 3.43Å; D593-R596 PolarHBondContact O-N 2.94Å; D593-R596 IonicContact OD1-NH1 3.3Å; D593-R596 PolarHBondContact OD1-NH1 3.41Å; C594-R596 VanDerWaalsContact C-N 3.34Å; C594-R596 PolarHBondContact O-N 3.45Å; R596-I599 PolarHBondContact O-N 2.91Å; R596-L600 HydrophobicContact CG-CD1 4.11Å; R596-L600 WeakPolarHBondContact O-CB 3.32Å; R596-L600 VanDerWaalsContact O-CG 3.26Å; R596-L600 WeakPolarHBondContact O-CG 3.33Å; R596-L600 PolarHBondContact O-N 3.25Å; R596-C610 HydrophobicContact CG-CB 4.42Å; R596-S612 PolarHBondContact NH1-OG 2.82Å
597	N	88.5	Confident	85.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.8	-36.8	176.5	-75.9	-70.7	0	0	0	112.1	F231 D593 C594 T595 L600 H601 L609 C610	F231-N597 HydrophobicContact CD2-CB 4.35Å; F231-N597 HydrophobicContact CE1-CB 4.01Å; F231-N597 HydrophobicContact CE2-CB 3.71Å; F231-N597 HydrophobicContact CZ-CB 3.53Å; D593-N597 WeakPolarHBondContact O-CB 3.4Å; D593-N597 PolarHBondContact O-N 3.27Å; D593-N597 PolarHBondContact O-ND2 2.98Å; C594-N597 PolarHBondContact O-N 3.32Å; T595-N597 PolarHBondContact O-N 3.12Å; N597-L600 PolarHBondContact O-N 3.11Å; N597-H601 WeakPolarHBondContact O-CB 3.37Å; N597-H601 PolarHBondContact O-CD2 3.1Å; N597-H601 PolarHBondContact O-N 3.27Å; N597-L609 WeakPolarHBondContact OD1-CD1 3.36Å; N597-C610 PolarHBondContact ND2-O 3.11Å; N597-C610 PolarHBondContact OD1-N 2.96Å
598	L	88.7	Confident	84.8	Confident	9 Å²	9	50.4 Å²	50.4	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-51.4	175.2	-178.3	61.3	0	0	0	111.1	D227 E230 F231 Y235 C594 T595 L600 H601 Q602	D227-L598 HydrophobicContact CB-CD2 3.89Å; E230-L598 HydrophobicContact CB-CD2 4.17Å; F231-L598 HydrophobicContact CB-CB 4.19Å; F231-L598 HydrophobicContact CB-CD1 4.24Å; F231-L598 HydrophobicContact CD2-CB 4.42Å; Y235-L598 HydrophobicContact CD2-CD1 4.49Å; Y235-L598 HydrophobicContact CE2-CD1 4.23Å; C594-L598 WeakPolarHBondContact O-CB 3.33Å; C594-L598 PolarHBondContact O-N 2.63Å; T595-L598 WeakPolarHBondContact O-CB 3.44Å; T595-L598 PolarHBondContact O-N 3.15Å; L598-L600 PolarHBondContact O-N 3.44Å; L598-H601 PolarHBondContact O-N 2.8Å; L598-Q602 HydrophobicContact CD1-CG 4.4Å; L598-Q602 WeakPolarHBondContact O-CB 3.4Å; L598-Q602 VanDerWaalsContact O-CG 3.26Å; L598-Q602 WeakPolarHBondContact O-CG 3.32Å; L598-Q602 PolarHBondContact O-N 3.46Å
599	I	88.8	Confident	84.8	Confident	90 Å²	90	50.6 Å²	50.6	46%	0.462	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-46.4	178.9	-65.5	165.3	0	0	0	110.5	T595 R596 H601 Q602 T603	T595-I599 HydrophobicContact CG2-CD1 3.9Å; T595-I599 WeakPolarHBondContact O-CG1 3.32Å; T595-I599 PolarHBondContact O-N 2.91Å; R596-I599 PolarHBondContact O-N 2.91Å; I599-H601 PolarHBondContact O-N 2.89Å; I599-Q602 PolarHBondContact O-N 2.77Å; I599-T603 HydrophobicContact CG2-CG2 4.34Å; I599-T603 WeakPolarHBondContact O-CB 3.34Å; I599-T603 WeakPolarHBondContact O-CG2 3.33Å; I599-T603 PolarHBondContact O-N 3.08Å; I599-T603 PolarHBondContact O-OG1 3.15Å
600	L	87.9	Confident	84.5	Confident	52 Å²	52	51.4 Å²	51.4	27%	0.272	29%	0.293	S	S	.	.	H	α-helix	trans	-60.8	-46.5	178.2	-72.4	168.9	0	0	0	112.1	R596 N597 L598 Q602 T603 S604 P607 C610	R596-L600 HydrophobicContact CG-CD1 4.11Å; R596-L600 WeakPolarHBondContact O-CB 3.32Å; R596-L600 VanDerWaalsContact O-CG 3.26Å; R596-L600 WeakPolarHBondContact O-CG 3.33Å; R596-L600 PolarHBondContact O-N 3.25Å; N597-L600 PolarHBondContact O-N 3.11Å; L598-L600 PolarHBondContact O-N 3.44Å; L600-Q602 PolarHBondContact O-N 3.41Å; L600-T603 WeakPolarHBondContact CA-OG1 3.32Å; L600-T603 PolarHBondContact O-N 3.08Å; L600-T603 PolarHBondContact O-OG1 3.11Å; L600-S604 PolarHBondContact O-N 2.95Å; L600-S604 PolarHBondContact O-OG 3.48Å; L600-P607 HydrophobicContact CB-CB 4.08Å; L600-P607 HydrophobicContact CB-CG 4.03Å; L600-C610 HydrophobicContact CD1-CB 4.27Å; L600-C610 WeakPolarHBondContact CD1-SG 3.28Å
601	H	86.6	Confident	84.3	Confident	21 Å²	21	51.7 Å²	51.7	10%	0.097	30%	0.295	C	S	.	.	H	α-helix	trans	-71.5	-14.3	179.4	-80.5	-69.1	0	0	0	114.1	F231 Y235 N597 L598 I599 P607	F231-H601 AromaticContact CE2-CD2 3.83Å; Y235-H601 HydrophobicContact CD1-CB 4.21Å; Y235-H601 HydrophobicContact CD2-CB 4.14Å; Y235-H601 HydrophobicContact CE1-CB 3.84Å; Y235-H601 HydrophobicContact CE2-CB 3.78Å; Y235-H601 HydrophobicContact CG-CB 4.34Å; Y235-H601 PolarHBondContact OH-O 3.07Å; N597-H601 WeakPolarHBondContact O-CB 3.37Å; N597-H601 PolarHBondContact O-CD2 3.1Å; N597-H601 PolarHBondContact O-N 3.27Å; L598-H601 PolarHBondContact O-N 2.8Å; I599-H601 PolarHBondContact O-N 2.89Å; H601-P607 HydrophobicContact CB-CG 4.37Å; H601-P607 WeakPolarHBondContact ND1-CD 3.4Å; H601-P607 WeakPolarHBondContact ND1-CG 2.91Å
602	Q	87.2	Confident	83.9	Confident	100 Å²	100	51.8 Å²	51.8	47%	0.467	30%	0.296	S	S	.	.	H	α-helix	trans	-87.7	-32.5	169.5	-73.5	171.8	-10.1	0	0	112.8	L598 I599 L600	L598-Q602 HydrophobicContact CD1-CG 4.4Å; L598-Q602 WeakPolarHBondContact O-CB 3.4Å; L598-Q602 VanDerWaalsContact O-CG 3.26Å; L598-Q602 WeakPolarHBondContact O-CG 3.32Å; L598-Q602 PolarHBondContact O-N 3.46Å; I599-Q602 PolarHBondContact O-N 2.77Å; L600-Q602 PolarHBondContact O-N 3.41Å
603	T	86.5	Confident	83.2	Confident	108 Å²	108	47.8 Å²	47.8	66%	0.663	28%	0.278	S	S	*	.	H	α-helix	trans	-94.1	-14.4	-174.7	50	0	0	0	0	114.4	I599 L600	I599-T603 HydrophobicContact CG2-CG2 4.34Å; I599-T603 WeakPolarHBondContact O-CB 3.34Å; I599-T603 WeakPolarHBondContact O-CG2 3.33Å; I599-T603 PolarHBondContact O-N 3.08Å; I599-T603 PolarHBondContact O-OG1 3.15Å; L600-T603 WeakPolarHBondContact CA-OG1 3.32Å; L600-T603 PolarHBondContact O-N 3.08Å; L600-T603 PolarHBondContact O-OG1 3.11Å
604	S	81.7	Confident	81.7	Confident	47 Å²	47	53.3 Å²	53.3	33%	0.329	30%	0.302	S	S	.	.	S	Bend	trans	-144.6	144.4	-175.6	60.5	0	0	0	0	112.9	L600 S606 P607	L600-S604 PolarHBondContact O-N 2.95Å; L600-S604 PolarHBondContact O-OG 3.48Å; S604-S606 PolarHBondContact O-N 3.18Å; S604-P607 VanDerWaalsContact O-CD 3.27Å; S604-P607 WeakPolarHBondContact O-CD 3.48Å; S604-P607 WeakPolarHBondContact OG-CB 3.43Å; S604-P607 WeakPolarHBondContact OG-CD 3.33Å; S604-P607 WeakPolarHBondContact OG-CG 3.46Å
605	D	69.4	Low	79.5	Confident	125 Å²	125	62.8 Å²	62.8	67%	0.668	34%	0.34	S	S	*	.	S	Bend	trans	-73.7	117.5	171	-67.4	-41.1	0	0	0	109.6
606	S	72	Confident	77.1	Confident	109 Å²	109	62.9 Å²	62.9	76%	0.762	34%	0.341	S	S	*	.	S	Bend	trans	59.4	48.9	174.6	69.9	0	0	0	0	118	S604	S604-S606 PolarHBondContact O-N 3.18Å
607	P	80.2	Confident	74.7	Confident	26 Å²	26	63.9 Å²	63.9	17%	0.169	36%	0.357	C	S	.	.			trans	-63	153.9	176	27.9	-36.3	0	0	0	112.9	L600 H601 S604	L600-P607 HydrophobicContact CB-CB 4.08Å; L600-P607 HydrophobicContact CB-CG 4.03Å; H601-P607 HydrophobicContact CB-CG 4.37Å; H601-P607 WeakPolarHBondContact ND1-CD 3.4Å; H601-P607 WeakPolarHBondContact ND1-CG 2.91Å; S604-P607 VanDerWaalsContact O-CD 3.27Å; S604-P607 WeakPolarHBondContact O-CD 3.48Å; S604-P607 WeakPolarHBondContact OG-CB 3.43Å; S604-P607 WeakPolarHBondContact OG-CD 3.33Å; S604-P607 WeakPolarHBondContact OG-CG 3.46Å
608	A	80.1	Confident	71.9	Confident	86 Å²	86	68 Å²	68	71%	0.711	38%	0.382	S	S	*	.			trans	-68.2	135.4	169.9	0	0	0	0	0	111.1	C610	A608-C610 PolarHBondContact O-N 3.15Å; A608-C610 VanDerWaalsContact O-N 3.08Å
609	L	83.4	Confident	69	Low	33 Å²	33	74.5 Å²	74.5	17%	0.173	41%	0.414	C	S	.	.			trans	-61.5	112.8	178.7	-171.2	81.4	0	0	0	111.2	F231 Q238 A241 L242 N597	F231-L609 HydrophobicContact CZ-CD1 4.31Å; Q238-L609 HydrophobicContact CB-CD1 4.12Å; A241-L609 HydrophobicContact CB-CD2 4.08Å; L242-L609 HydrophobicContact CB-CD1 4.35Å; L242-L609 HydrophobicContact CB-CD2 4.18Å; L242-L609 HydrophobicContact CD1-CD2 4.25Å; L242-L609 HydrophobicContact CD1-CG 4.44Å; N597-L609 WeakPolarHBondContact OD1-CD1 3.36Å
610	C	80.8	Confident	66.1	Low	39 Å²	39	76.4 Å²	76.4	26%	0.264	43%	0.43	S	S	.	.			trans	-70.8	128.4	170.5	-78.4	0	0	0	0	109.8	L242 R596 N597 L600 A608	L242-C610 WeakPolarHBondContact CD1-O 3.19Å; R596-C610 HydrophobicContact CG-CB 4.42Å; N597-C610 PolarHBondContact ND2-O 3.11Å; N597-C610 PolarHBondContact OD1-N 2.96Å; L600-C610 HydrophobicContact CD1-CB 4.27Å; L600-C610 WeakPolarHBondContact CD1-SG 3.28Å; A608-C610 PolarHBondContact O-N 3.15Å; A608-C610 VanDerWaalsContact O-N 3.08Å
611	C	81.5	Confident	63.3	Low	7 Å²	7	79.9 Å²	79.9	5%	0.047	46%	0.455	C	S	.	.			trans	-146.7	103.8	176.5	178.5	0	0	0	0	107.7	L242 D593 L613 K614	L242-C611 HydrophobicContact CD1-CB 3.85Å; D593-C611 WeakPolarHBondContact OD2-CA 3.3Å; C611-L613 PolarHBondContact O-N 2.96Å; C611-K614 HydrophobicContact CB-CD 4.37Å; C611-K614 HydrophobicContact CB-CG 4.34Å; C611-K614 WeakPolarHBondContact O-CB 3.31Å; C611-K614 PolarHBondContact O-N 3.27Å
612	S	79.1	Confident	60.6	Low	14 Å²	14	82.8 Å²	82.8	10%	0.098	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-64.5	-22.9	-175.8	-60.5	0	0	0	0	111.9	D593 R596 K614 Y615 C616	D593-S612 VanDerWaalsContact CG-N 3.32Å; D593-S612 WeakPolarHBondContact OD1-CB 3.22Å; D593-S612 PolarHBondContact OD1-N 2.97Å; D593-S612 VanDerWaalsContact OD1-N 3.08Å; D593-S612 PolarHBondContact OD1-OG 3.3Å; D593-S612 PolarHBondContact OD2-N 3.25Å; R596-S612 PolarHBondContact NH1-OG 2.82Å; S612-K614 PolarHBondContact O-N 3.36Å; S612-K614 VanDerWaalsContact O-N 3.15Å; S612-Y615 PolarHBondContact O-N 3.25Å; S612-C616 PolarHBondContact O-SG 2.81Å
613	L	71.8	Confident	58.1	Low	18 Å²	18	84.3 Å²	84.3	9%	0.094	50%	0.497	C	S	.	.	G	3₁₀ helix	trans	-56.4	-27.7	171.2	-161.6	78.8	0	0	0	113.3	L217 N245 Y246 C611 Y615 C616 V617	L217-L613 HydrophobicContact CD1-CD1 3.45Å; L217-L613 VanDerWaalsContact CD1-CD1 3.45Å; L217-L613 HydrophobicContact CD2-CD1 4.21Å; L217-L613 HydrophobicContact CG-CD1 4.5Å; N245-L613 WeakPolarHBondContact O-CD2 3.21Å; Y246-L613 HydrophobicContact CD1-CD1 4.24Å; Y246-L613 HydrophobicContact CD1-CD2 4.39Å; Y246-L613 HydrophobicContact CD2-CB 4.5Å; Y246-L613 HydrophobicContact CD2-CD2 4.48Å; Y246-L613 HydrophobicContact CE1-CB 4.36Å; Y246-L613 HydrophobicContact CE1-CD1 4.13Å; Y246-L613 HydrophobicContact CE2-CB 4.15Å; Y246-L613 HydrophobicContact CG-CD2 4.23Å; C611-L613 PolarHBondContact O-N 2.96Å; L613-Y615 PolarHBondContact O-N 2.91Å; L613-Y615 VanDerWaalsContact O-N 3.13Å; L613-C616 HydrophobicContact CD1-CB 4.38Å; L613-C616 PolarHBondContact O-N 3.43Å; L613-V617 HydrophobicContact CD1-CG2 4.43Å; L613-V617 HydrophobicContact CG-CG2 3.97Å; L613-V617 WeakPolarHBondContact O-CG2 3.34Å; L613-V617 PolarHBondContact O-N 3.22Å
614	K	57.6	Low	55.6	Low	116 Å²	116	90.2 Å²	90.2	50%	0.504	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-60.5	-21.2	175.2	-69.5	176.7	177.6	169	0	113.1	C611 S612	C611-K614 HydrophobicContact CB-CD 4.37Å; C611-K614 HydrophobicContact CB-CG 4.34Å; C611-K614 WeakPolarHBondContact O-CB 3.31Å; C611-K614 PolarHBondContact O-N 3.27Å; S612-K614 PolarHBondContact O-N 3.36Å; S612-K614 VanDerWaalsContact O-N 3.15Å
615	Y	41.3	Very low	53.5	Low	199 Å²	199	93.2 Å²	93.2	78%	0.78	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-95.1	-10.7	174.2	-55.8	-76.2	0	0	0	113.2	S612 L613	S612-Y615 PolarHBondContact O-N 3.25Å; L613-Y615 PolarHBondContact O-N 2.91Å; L613-Y615 VanDerWaalsContact O-N 3.13Å
616	C	38.8	Very low	52	Low	32 Å²	32	96.2 Å²	96.2	22%	0.216	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-11.3	-177.7	-57	0	0	0	0	113.7	S612 L613	S612-C616 PolarHBondContact O-SG 2.81Å; L613-C616 HydrophobicContact CD1-CB 4.38Å; L613-C616 PolarHBondContact O-N 3.43Å
617	V	37.9	Very low	50.1	Low	110 Å²	110	94.2 Å²	94.2	67%	0.667	54%	0.535	S	S	*	.			trans	-111.4	45	-174.2	-167.6	0	0	0	0	111.6	L613	L613-V617 HydrophobicContact CD1-CG2 4.43Å; L613-V617 HydrophobicContact CG-CG2 3.97Å; L613-V617 WeakPolarHBondContact O-CG2 3.34Å; L613-V617 PolarHBondContact O-N 3.22Å
618	T	27.9	Very low	47.8	Very low	86 Å²	86	103.1 Å²	103.1	53%	0.528	57%	0.571	S	S	.	*			trans	-116.5	53	170.5	49.4	0	0	0	0	111.9
619	M	28.2	Very low	45.7	Very low	147 Å²	147	108.6 Å²	108.6	72%	0.724	58%	0.578	S	S	*	*			trans	-144.8	73.2	167.7	-77.5	-56.4	-169.1	0	0	112.1	Y213	Y213-M619 HydrophobicContact CE2-CG 4.38Å
620	T	29.3	Very low	43.3	Very low	130 Å²	130	111.6 Å²	111.6	80%	0.798	60%	0.602	S	S	*	*			trans	-121.9	123.6	137.2	47.8	0	0	0	0	107.1	S622	T620-S622 PolarHBondContact O-N 3.24Å
621	P	29	Very low	41	Very low	124 Å²	124	116.2 Å²	116.2	81%	0.805	63%	0.625	S	S	*	*			trans	-66.2	110.7	174.1	26.8	-31.8	0	0	0	107.6	P623	P621-P623 WeakPolarHBondContact O-CD 3.49Å
622	S	28.7	Very low	38.6	Very low	82 Å²	82	124.6 Å²	124.6	57%	0.573	66%	0.663	S	S	*	*			trans	-61.4	125.5	171.5	-172.8	0	0	0	0	107.8	T620 R624	T620-S622 PolarHBondContact O-N 3.24Å; S622-R624 PolarHBondContact O-N 3.17Å
623	P	34.4	Very low	36.4	Very low	132 Å²	132	129.1 Å²	129.1	86%	0.857	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	40.8	-174.7	32.3	-37.4	0	0	0	112.3	P621	P621-P623 WeakPolarHBondContact O-CD 3.49Å
624	R	35.4	Very low	34.5	Very low	232 Å²	232	134.9 Å²	134.9	88%	0.875	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.6	18	-168	-127.8	177.2	-173.5	-177.7	1.6	114.3	S622	S622-R624 PolarHBondContact O-N 3.17Å
625	S	36.8	Very low	33.5	Very low	110 Å²	110	137.3 Å²	137.3	77%	0.769	74%	0.741	S	S	*	*			trans	-127.3	6.7	174.7	59.7	0	0	0	0	114.8	G627	S625-G627 PolarHBondContact O-N 3.41Å
626	Q	38.3	Very low	33	Very low	188 Å²	188	136.2 Å²	136.2	88%	0.879	74%	0.741	S	S	*	*	S	Bend	trans	-62.8	126.7	159.2	-78.5	-77.4	-8.7	0	0	108
627	G	32.9	Very low	32.7	Very low	68 Å²	68	140.3 Å²	140.3	70%	0.701	77%	0.77	S	S	*	*			trans	-73.4	147.8	-157.4	0	0	0	0	0	115.3	S625 K629	S625-G627 PolarHBondContact O-N 3.41Å; G627-K629 PolarHBondContact O-N 3.48Å
628	K	31.1	Very low	32.2	Very low	213 Å²	213	142.5 Å²	142.5	93%	0.926	78%	0.778	S	S	*	*			trans	-62.7	111.7	159.5	-80.2	-179.3	169.7	-175.5	0	109.7
629	K	35.9	Very low	32.5	Very low	200 Å²	200	145.5 Å²	145.5	87%	0.87	80%	0.796	S	S	*	*			trans	-141.1	106	146.4	-76.1	-161.2	176.5	-176.9	0	110.6	G627	G627-K629 PolarHBondContact O-N 3.48Å
630	S	31.9	Very low	32.5	Very low	96 Å²	96	143.3 Å²	143.3	67%	0.671	80%	0.795	S	S	*	*			trans	28.9	126.4	144.3	53.2	0	0	0	0	122
631	N	33.1	Very low	32.6	Very low	137 Å²	137	143.8 Å²	143.8	73%	0.733	80%	0.798	S	S	*	*			trans	95.6	130.7	140.9	-61.3	6.4	0	0	0	119.8
632	E	31.1	Very low	32.6	Very low	182 Å²	182	145.9 Å²	145.9	85%	0.85	80%	0.799	S	S	*	*			trans	52.4	135.1	150.4	-68	165.2	125.1	0	0	119.5
633	S	33.7	Very low	32.6	Very low	109 Å²	109	147.1 Å²	147.1	76%	0.762	81%	0.808	S	S	*	*			cis	-157.1	157.3	-3.1	51.5	0	0	0	0	110.9
634	L	30.5	Very low	32.6	Very low	139 Å²	139	146.7 Å²	146.7	73%	0.728	80%	0.803	S	S	*	*			trans	4.1	124.6	152.4	-156.6	69.1	0	0	0	118.5
635	I	37	Very low	32.3	Very low	167 Å²	167	144.9 Å²	144.9	86%	0.856	80%	0.802	S	S	*	*				-159.2	143.1	111.5	-93.1	151.2	0	0	0	109.5
636	K	31	Very low	32.1	Very low	176 Å²	176	145.2 Å²	145.2	77%	0.765	80%	0.804	S	S	*	*			trans	-90.1	146.1	-175.6	-59.6	163.6	175.5	172.5	0	111.2
637	S	33.2	Very low	31.8	Very low	118 Å²	118	143.6 Å²	143.6	83%	0.825	80%	0.801	S	S	*	*			trans	-164.3	102.7	141.8	47.8	0	0	0	0	110.5
638	D	27	Very low	31.8	Very low	156 Å²	156	147 Å²	147	83%	0.834	80%	0.803	S	S	*	*			trans	-73	144.8	167	-70.3	-65.8	0	0	0	110.6
639	T	35.1	Very low	31.9	Very low	149 Å²	149	142.1 Å²	142.1	91%	0.914	79%	0.794	S	S	*	*			trans	-158.7	133.7	141.2	0.4	0	0	0	0	110.4
640	S	26.6	Very low	31.8	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	79%	0.787	S	S	*	*			trans	-111.6	142.2	-169.1	56.1	0	0	0	0	112.2
641	T	32.9	Very low	32	Very low	141 Å²	141	140 Å²	140	87%	0.865	79%	0.787	S	S	*	*			trans	-153.7	105.3	157.3	12.3	0	0	0	0	111.5
642	M	28.3	Very low	32	Very low	167 Å²	167	137.9 Å²	137.9	82%	0.823	78%	0.775	S	S	*	*				5.1	135.1	122	-59.2	-61.8	126.9	0	0	115.3
643	S	29.1	Very low	32.5	Very low	108 Å²	108	133.4 Å²	133.4	76%	0.755	76%	0.756	S	S	*	*			cis	-172.3	-174.4	16.8	58.2	0	0	0	0	107.5
644	T	32.9	Very low	32.9	Very low	124 Å²	124	130.8 Å²	130.8	76%	0.761	74%	0.736	S	S	*	*			cis	-132.6	-165.6	2	62	0	0	0	0	109.3
645	K	29.4	Very low	33	Very low	194 Å²	194	126.8 Å²	126.8	84%	0.843	72%	0.723	S	S	*	*			trans	-141	130.1	160.1	-82.4	178.5	177	169.2	0	110.2
646	S	33.4	Very low	32.9	Very low	116 Å²	116	122.3 Å²	122.3	81%	0.811	71%	0.711	S	S	*	*			trans	-83.7	118.7	168.9	59.8	0	0	0	0	110.8	N648	S646-N648 PolarHBondContact O-N 3.28Å
647	N	31.3	Very low	33.1	Very low	155 Å²	155	122 Å²	122	83%	0.829	71%	0.71	S	S	*	*			trans	-75.5	114.8	179.2	-74.9	-36.4	0	0	0	112.1
648	N	33.5	Very low	33.3	Very low	138 Å²	138	122.3 Å²	122.3	74%	0.738	70%	0.702	S	S	*	*			trans	-142.3	142.6	153.9	-92	-37	0	0	0	107.9	S646 I650	S646-N648 PolarHBondContact O-N 3.28Å; N648-I650 PolarHBondContact O-N 2.96Å
649	P	33.6	Very low	33.6	Very low	112 Å²	112	118.8 Å²	118.8	73%	0.727	70%	0.695	S	S	*	*			trans	-72.8	94	-178	29	-33.7	0	0	0	111	V651	P649-V651 PolarHBondContact O-N 3.18Å; P649-V651 VanDerWaalsContact O-N 3.07Å
650	I	33.1	Very low	33.5	Very low	144 Å²	144	119.1 Å²	119.1	74%	0.738	68%	0.683	S	S	*	*			trans	-69	102.2	175.6	-59.2	170.3	0	0	0	108.9	N648 N652	N648-I650 PolarHBondContact O-N 2.96Å; I650-N652 VanDerWaalsContact C-N 3.29Å; I650-N652 HydrophobicContact CG2-CB 4.38Å; I650-N652 PolarHBondContact O-N 3.27Å
651	V	35.8	Very low	33.8	Very low	108 Å²	108	123.5 Å²	123.5	66%	0.655	68%	0.684	S	S	*	*			trans	-79.8	79.3	173.4	-168.8	0	0	0	0	109.3	P649 L653	P649-V651 PolarHBondContact O-N 3.18Å; P649-V651 VanDerWaalsContact O-N 3.07Å; V651-L653 VanDerWaalsContact C-N 3.34Å; V651-L653 HydrophobicContact CG1-CD2 4.15Å; V651-L653 HydrophobicContact CG1-CG 4.13Å; V651-L653 PolarHBondContact O-N 2.93Å
652	N	34.4	Very low	33.7	Very low	91 Å²	91	122.5 Å²	122.5	49%	0.487	68%	0.68	S	S	.	*			trans	-77	86.1	173.5	-164	-17.2	0	0	0	109.3	I650 T654 A655	I650-N652 VanDerWaalsContact C-N 3.29Å; I650-N652 HydrophobicContact CG2-CB 4.38Å; I650-N652 PolarHBondContact O-N 3.27Å; N652-T654 PolarHBondContact O-N 2.87Å; N652-T654 VanDerWaalsContact O-N 3.09Å; N652-T654 PolarHBondContact OD1-OG1 2.89Å; N652-A655 HydrophobicContact CB-CB 4.43Å; N652-A655 PolarHBondContact O-N 2.89Å
653	L	40.5	Very low	33.8	Very low	88 Å²	88	126.1 Å²	126.1	46%	0.461	69%	0.685	S	S	.	*	H	α-helix	trans	-55.3	-28.1	-173.4	-79.7	165.7	0	0	0	113.5	L257 V651 A655 F657	L257-L653 HydrophobicContact CD1-CD1 4.34Å; V651-L653 VanDerWaalsContact C-N 3.34Å; V651-L653 HydrophobicContact CG1-CD2 4.15Å; V651-L653 HydrophobicContact CG1-CG 4.13Å; V651-L653 PolarHBondContact O-N 2.93Å; L653-A655 PolarHBondContact O-N 3.39Å; L653-F657 WeakPolarHBondContact O-CD2 3.41Å
654	T	42.5	Very low	34	Very low	54 Å²	54	125.3 Å²	125.3	33%	0.331	69%	0.685	S	S	.	*	H	α-helix	trans	-66.6	-30.4	174.5	9.4	0	0	0	0	114.1	N652 L658	N652-T654 PolarHBondContact O-N 2.87Å; N652-T654 VanDerWaalsContact O-N 3.09Å; N652-T654 PolarHBondContact OD1-OG1 2.89Å; T654-L658 WeakPolarHBondContact O-CD1 3.37Å; T654-L658 WeakPolarHBondContact O-CG 3.44Å
655	A	32.8	Very low	34	Very low	55 Å²	55	127.9 Å²	127.9	46%	0.455	69%	0.688	S	S	.	*	H	α-helix	trans	-78.4	-33.8	-177.6	0	0	0	0	0	113	N652 L653 F657 L658	N652-A655 HydrophobicContact CB-CB 4.43Å; N652-A655 PolarHBondContact O-N 2.89Å; L653-A655 PolarHBondContact O-N 3.39Å; A655-F657 VanDerWaalsContact C-N 3.35Å; A655-F657 PolarHBondContact O-N 3.44Å; A655-L658 PolarHBondContact O-N 3.38Å
656	A	34.6	Very low	33.9	Very low	74 Å²	74	124 Å²	124	61%	0.612	69%	0.685	S	S	*	*	H	α-helix	trans	-69	-29.3	-175.6	0	0	0	0	0	113.6
657	F	35.9	Very low	33.9	Very low	168 Å²	168	124.4 Å²	124.4	74%	0.737	69%	0.685	S	S	*	*	H	α-helix	trans	-84.5	-16.2	177	-75	-77.9	0	0	0	114.1	L653 A655	L653-F657 WeakPolarHBondContact O-CD2 3.41Å; A655-F657 VanDerWaalsContact C-N 3.35Å; A655-F657 PolarHBondContact O-N 3.44Å
658	L	36.7	Very low	34	Very low	125 Å²	125	121.3 Å²	121.3	65%	0.654	68%	0.681	S	S	*	*	H	α-helix	trans	-84.4	-12.7	178.4	-70.1	170.7	0	0	0	113.5	T654 A655	T654-L658 WeakPolarHBondContact O-CD1 3.37Å; T654-L658 WeakPolarHBondContact O-CG 3.44Å; A655-L658 PolarHBondContact O-N 3.38Å
659	A	33.8	Very low	33.8	Very low	83 Å²	83	122.6 Å²	122.6	69%	0.686	69%	0.686	S	S	*	*	S	Bend	trans	-88.2	2.9	-171.4	0	0	0	0	0	115.8
660	K	32.8	Very low	33.6	Very low	155 Å²	155	120.6 Å²	120.6	67%	0.674	69%	0.685	S	S	*	*			trans	-125.3	65	177.3	-72.5	-171.1	174.2	-175.3	0	112.6	S169	S169-K660 PolarHBondContact OG-NZ 2.96Å
661	R	31.6	Very low	33.3	Very low	193 Å²	193	121.5 Å²	121.5	73%	0.728	69%	0.692	S	S	*	*			trans	-91.5	120.1	162.6	-79.3	-174.6	173.7	175.9	-2.4	110	R663	R661-R663 PolarHBondContact O-N 3.2Å
662	P	32.1	Very low	33.1	Very low	121 Å²	121	121.6 Å²	121.6	79%	0.786	70%	0.697	S	S	*	*			trans	-61.2	130	159	-15.1	29.7	0	0	0	108.5	A664	P662-A664 PolarHBondContact O-N 3.44Å
663	R	29.7	Very low	33	Very low	243 Å²	243	127.2 Å²	127.2	92%	0.917	72%	0.717	S	S	*	*			trans	-78	97.5	163.9	-70.9	-179.6	-177.3	151.3	-0.7	107.3	R661	R661-R663 PolarHBondContact O-N 3.2Å
664	A	33.1	Very low	32.6	Very low	91 Å²	91	129.8 Å²	129.8	75%	0.752	73%	0.731	S	S	*	*			trans	-106.7	126.2	163.8	0	0	0	0	0	107.8	P662	P662-A664 PolarHBondContact O-N 3.44Å
665	H	33.2	Very low	31.9	Very low	177 Å²	177	133.7 Å²	133.7	82%	0.819	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-71.2	146.9	179	-72.6	-108.2	0	0	0	110.3	P667	H665-P667 WeakPolarHBondContact O-CD 3.42Å
666	S	28.2	Very low	31.8	Very low	112 Å²	112	136.8 Å²	136.8	78%	0.783	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-67.6	126.2	171.1	51.1	0	0	0	0	110.8
667	P	33.4	Very low	31.7	Very low	126 Å²	126	138.9 Å²	138.9	82%	0.818	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-71.3	134.9	160.1	-9.6	27.1	0	0	0	108.9	H665	H665-P667 WeakPolarHBondContact O-CD 3.42Å
668	A	32	Very low	31.5	Very low	89 Å²	89	136.5 Å²	136.5	74%	0.736	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-78.2	142.9	173.3	0	0	0	0	0	111
669	I	29.3	Very low	31.1	Very low	166 Å²	166	137.4 Å²	137.4	85%	0.851	78%	0.784	S	S	*	*			trans	22.3	104.1	149	-54.9	168.3	0	0	0	115.7
670	G	29.6	Very low	31	Very low	69 Å²	69	139.8 Å²	139.8	71%	0.711	79%	0.79	S	S	*	*			trans	-150.1	125	166.4	0	0	0	0	0	110.1	S672	G670-S672 PolarHBondContact O-N 2.91Å
671	N	27.7	Very low	30.8	Very low	164 Å²	164	140.7 Å²	140.7	88%	0.877	79%	0.794	S	S	*	*			trans	-83.3	106.2	-170.7	-68.2	-24.1	0	0	0	112.5
672	S	31.7	Very low	31	Very low	110 Å²	110	138.9 Å²	138.9	77%	0.769	80%	0.799	S	S	*	*			trans	-159	136.7	152.3	54.3	0	0	0	0	111.3	G670 D674	G670-S672 PolarHBondContact O-N 2.91Å; S672-D674 PolarHBondContact O-N 3.37Å
673	K	30.8	Very low	30.9	Very low	208 Å²	208	138.1 Å²	138.1	90%	0.904	79%	0.792	S	S	*	*			trans	-71.2	104.9	176.6	-64.3	171	179.3	173.3	0	109.4
674	D	33.1	Very low	31.2	Very low	142 Å²	142	134.9 Å²	134.9	76%	0.759	79%	0.792	S	S	*	*			trans	-163.4	90	158.7	-92.5	-36.5	0	0	0	110	S672 V676	S672-D674 PolarHBondContact O-N 3.37Å; D674-V676 VanDerWaalsContact C-N 3.27Å; D674-V676 PolarHBondContact O-N 3.09Å
675	C	27.7	Very low	31.2	Very low	136 Å²	136	138.7 Å²	138.7	92%	0.919	79%	0.794	S	S	*	*			trans	-81.6	70.3	177.9	-67.7	0	0	0	0	111.4	T677	C675-T677 PolarHBondContact O-N 2.9Å
676	V	31.4	Very low	31.1	Very low	121 Å²	121	133.6 Å²	133.6	73%	0.733	79%	0.789	S	S	*	*			trans	-84.1	107.7	175	-178.4	0	0	0	0	110.4	D674	D674-V676 VanDerWaalsContact C-N 3.27Å; D674-V676 PolarHBondContact O-N 3.09Å
677	T	32.6	Very low	31.3	Very low	118 Å²	118	134.4 Å²	134.4	72%	0.724	79%	0.791	S	S	*	*			trans	-63.5	128.6	170.4	-33.5	0	0	0	0	109.9	C675 L679	C675-T677 PolarHBondContact O-N 2.9Å; T677-L679 PolarHBondContact O-N 3.47Å
678	P	31.8	Very low	31	Very low	118 Å²	118	134.8 Å²	134.8	77%	0.766	79%	0.792	S	S	*	*			trans	-71.9	98.3	179	27.8	-33.3	0	0	0	110.7
679	L	28.2	Very low	31	Very low	144 Å²	144	138.2 Å²	138.2	75%	0.754	80%	0.797	S	S	*	*			trans	-78.2	125	174.3	-154.7	107.8	0	0	0	109.4	T677 K681	T677-L679 PolarHBondContact O-N 3.47Å; L679-K681 HydrophobicContact CD2-CG 4.12Å
680	V	31.5	Very low	30.9	Very low	133 Å²	133	137.9 Å²	137.9	81%	0.806	80%	0.797	S	S	*	*			trans	-121.3	98.6	170.9	-176.7	0	0	0	0	108.7
681	K	29	Very low	30.9	Very low	174 Å²	174	141.7 Å²	141.7	76%	0.757	79%	0.794	S	S	*	*			trans	-67.1	148.4	164.8	-74.7	176.8	174.5	178.6	0	109.3	L679	L679-K681 HydrophobicContact CD2-CG 4.12Å
682	N	35.3	Very low	31.2	Very low	155 Å²	155	145.6 Å²	145.6	83%	0.829	80%	0.796	S	S	*	*			trans	-162.8	107.4	141.5	-98.1	-12.4	0	0	0	109.4
683	T	28.9	Very low	31.3	Very low	104 Å²	104	146.1 Å²	146.1	64%	0.638	79%	0.789	S	S	*	*			trans	-75.9	143	168.7	41.5	0	0	0	0	110.6
684	L	35.9	Very low	31.4	Very low	176 Å²	176	147.5 Å²	147.5	92%	0.921	79%	0.789	S	S	*	*			trans	-156	130.1	154.9	-110.5	164.9	0	0	0	110.7
685	H	33.7	Very low	31.4	Very low	171 Å²	171	152 Å²	152	79%	0.792	80%	0.795	S	S	*	*			trans	-87	160.2	-174.3	-61.8	-41.6	0	0	0	113.4
686	G	31.4	Very low	31.8	Very low	70 Å²	70	151.8 Å²	151.8	72%	0.722	79%	0.79	S	S	*	*			trans	101.8	145.6	149.1	0	0	0	0	0	116.3
687	P	31.4	Very low	31.9	Very low	128 Å²	128	151.2 Å²	151.2	83%	0.831	79%	0.789	S	S	*	*			trans	-123.4	66.5	-157.1	39.5	-21.1	0	0	0	114.6
688	T	28.6	Very low	31.9	Very low	134 Å²	134	152.1 Å²	152.1	82%	0.822	79%	0.794	S	S	*	*			trans	-161.6	127.7	167.6	18.3	0	0	0	0	109.5
689	L	30.5	Very low	32.1	Very low	162 Å²	162	154.5 Å²	154.5	85%	0.848	80%	0.795	S	S	*	*			trans	-165.4	135	162.1	-112	164.6	0	0	0	113
690	D	28.1	Very low	32.2	Very low	158 Å²	158	153.2 Å²	153.2	85%	0.845	79%	0.793	S	S	*	*			trans	-71.3	146.4	-178.5	-90.9	-53.9	0	0	0	114.6
691	F	30.2	Very low	32.3	Very low	150 Å²	150	153.2 Å²	153.2	66%	0.658	79%	0.793	S	S	*	*			trans	-108.4	102.2	174	-70.5	-73.8	0	0	0	112.9	I693	F691-I693 PolarHBondContact O-N 2.8Å
692	R	32.7	Very low	32.4	Very low	246 Å²	246	152.1 Å²	152.1	93%	0.928	80%	0.795	S	S	*	*			trans	-82	100	174.5	-164.1	173.3	-172.6	171.3	3.5	111.3	R694	R692-R694 PolarHBondContact O-N 3.38Å
693	I	34.7	Very low	32.2	Very low	120 Å²	120	156.3 Å²	156.3	62%	0.615	80%	0.799	S	S	*	*			trans	-68.8	111.8	179.2	-59	174.4	0	0	0	110.9	F691	F691-I693 PolarHBondContact O-N 2.8Å
694	R	32.1	Very low	32.4	Very low	238 Å²	238	158.7 Å²	158.7	90%	0.898	81%	0.807	S	S	*	*			trans	-82.9	111.1	163.8	-79.4	-173.6	171.6	-170.6	-2.6	110	R692 T696	R692-R694 PolarHBondContact O-N 3.38Å; R694-T696 PolarHBondContact O-N 3.2Å
695	R	33.7	Very low	32.5	Very low	237 Å²	237	159.1 Å²	159.1	89%	0.894	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-70.3	119	165.6	-65.9	178.1	178.3	167.2	-0.8	108.8
696	T	36.6	Very low	32.5	Very low	131 Å²	131	155.8 Å²	155.8	80%	0.804	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-77	127.1	164.9	43.6	0	0	0	0	109.3	R694	R694-T696 PolarHBondContact O-N 3.2Å
697	P	34.1	Very low	32.5	Very low	109 Å²	109	158.5 Å²	158.5	71%	0.708	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-69.6	145	178.7	29.2	-34.3	0	0	0	111.3	H699	P697-H699 PolarHBondContact O-N 3.5Å; P697-H699 VanDerWaalsContact O-N 3.12Å
698	T	31.6	Very low	32.6	Very low	137 Å²	137	159.4 Å²	159.4	84%	0.84	80%	0.801	S	S	*	*			trans	-68.5	101.2	170.5	42.3	0	0	0	0	110	T700	T698-T700 PolarHBondContact O-N 3.3Å
699	H	35.9	Very low	32.6	Very low	168 Å²	168	160.7 Å²	160.7	78%	0.778	80%	0.8	S	S	*	*			trans	-79.6	96.2	170.6	-120.3	-79.3	0	0	0	110.1	P697 V701	P697-H699 PolarHBondContact O-N 3.5Å; P697-H699 VanDerWaalsContact O-N 3.12Å; H699-V701 PolarHBondContact O-N 3.39Å
700	T	31.1	Very low	32.8	Very low	117 Å²	117	160.2 Å²	160.2	72%	0.718	80%	0.796	S	S	*	*			trans	-62.8	109.8	158.2	34.7	0	0	0	0	108.9	T698 L702	T698-T700 PolarHBondContact O-N 3.3Å; T700-L702 VanDerWaalsContact C-N 3.35Å; T700-L702 PolarHBondContact O-N 3.09Å
701	V	32.6	Very low	33	Very low	133 Å²	133	163.7 Å²	163.7	81%	0.806	80%	0.797	S	S	*	*			trans	-84.9	84	168.1	-178.3	0	0	0	0	108	H699	H699-V701 PolarHBondContact O-N 3.39Å
702	L	32.4	Very low	33.1	Very low	151 Å²	151	162 Å²	162	79%	0.791	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-72.4	131.3	159.9	-84.7	164.5	0	0	0	108.2	T700	T700-L702 VanDerWaalsContact C-N 3.35Å; T700-L702 PolarHBondContact O-N 3.09Å
703	R	30.2	Very low	33.3	Very low	242 Å²	242	155.6 Å²	155.6	91%	0.913	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-82.4	124.2	176.6	-171.8	174.1	-176.7	144.1	-1.6	108.5
704	N	32.5	Very low	33.2	Very low	154 Å²	154	155.7 Å²	155.7	82%	0.824	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-55.5	134.5	-176.7	-66.1	-22.3	0	0	0	113.4
705	Q	38.2	Very low	33.1	Very low	185 Å²	185	149.5 Å²	149.5	86%	0.864	79%	0.794	S	S	*	*			trans	-154.4	125.5	141.7	-107.1	168.3	13.6	0	0	109.1
706	S	34.2	Very low	32.8	Very low	102 Å²	102	142.3 Å²	142.3	71%	0.713	79%	0.785	S	S	*	*			trans	33.5	105.4	163.2	49.1	0	0	0	0	119.1
707	V	31.1	Very low	32.5	Very low	127 Å²	127	141.3 Å²	141.3	77%	0.77	77%	0.774	S	S	*	*				63.6	103.4	86.7	175.9	0	0	0	0	111.3
708	N	33.9	Very low	32.1	Very low	146 Å²	146	140.5 Å²	140.5	78%	0.781	77%	0.769	S	S	*	*				-162.5	166.1	70.9	-122.3	-28	0	0	0	114.2
709	M	28.1	Very low	32	Very low	162 Å²	162	137 Å²	137	80%	0.798	76%	0.761	S	S	*	*			trans	-67.6	160.1	176.3	-60.8	179.6	-71.4	0	0	112
710	I	35.1	Very low	31.8	Very low	151 Å²	151	135.3 Å²	135.3	77%	0.774	75%	0.753	S	S	*	*				-168.6	139.7	78.1	-84.6	161.7	0	0	0	111.8
711	R	32.9	Very low	31.9	Very low	231 Å²	231	133.9 Å²	133.9	87%	0.872	75%	0.748	S	S	*	*			trans	35.7	111.9	157.4	-69.3	174.3	168.4	167	-5	121.8
712	S	31.6	Very low	31.9	Very low	114 Å²	114	136 Å²	136	80%	0.797	75%	0.754	S	S	*	*				43	154.7	96.5	-99.6	0	0	0	0	121.8
713	P	38	Very low	31.9	Very low	112 Å²	112	132 Å²	132	73%	0.727	75%	0.749	S	S	*	*				-134.8	-146.9	-114.1	37.4	-14.6	0	0	0	112.9
714	V	31.1	Very low	32	Very low	122 Å²	122	130.4 Å²	130.4	74%	0.739	75%	0.749	S	S	*	*			trans	104.3	130	160.5	-179.2	0	0	0	0	117.2
715	S	30.4	Very low	31.9	Very low	109 Å²	109	128.6 Å²	128.6	76%	0.762	75%	0.748	S	S	*	*			trans	56.3	121.5	160.4	-64.1	0	0	0	0	119.4
716	A	28.5	Very low	31.6	Very low	86 Å²	86	125 Å²	125	71%	0.711	74%	0.744	S	S	*	*				92.8	131.4	52.6	0	0	0	0	0	114
717	I	28.5	Very low	31.6	Very low	110 Å²	110	129.6 Å²	129.6	56%	0.564	75%	0.751	S	S	*	*			trans	78.8	118.1	160.3	-58.6	152.2	0	0	0	117.4	M732 Y734	I717-M732 HydrophobicContact CG2-CE 4.3Å; I717-Y734 WeakPolarHBondContact CD1-OH 3.34Å
718	C	26.4	Very low	31.9	Very low	91 Å²	91	128.1 Å²	128.1	62%	0.615	75%	0.746	S	S	*	*			trans	46	132.9	154.2	-61.2	0	0	0	0	120.1	M732	C718-M732 HydrophobicContact CB-CE 3.76Å; C718-M732 HydrophobicContact CB-CG 4.41Å; C718-M732 HydrophobicContact CB-SD 3.91Å; C718-M732 PolarHBondContact SG-SD 2.94Å
719	G	29.5	Very low	32	Very low	64 Å²	64	129.1 Å²	129.1	66%	0.66	75%	0.746	S	S	*	*			cis	114.9	130	41.7	0	0	0	0	0	109
720	H	31.2	Very low	32.4	Very low	133 Å²	133	125.5 Å²	125.5	62%	0.616	73%	0.73	S	S	*	*			trans	69.5	154.6	-177	-59.7	-57.3	0	0	0	117.6
721	S	34	Very low	32.4	Very low	86 Å²	86	126 Å²	126	60%	0.601	73%	0.729	S	S	*	*			cis	-177.3	128.2	-44.6	48.3	0	0	0	0	108.6
722	N	32.6	Very low	32.3	Very low	178 Å²	178	119.4 Å²	119.4	95%	0.952	71%	0.709	S	S	*	*			trans	-179	127.5	160.5	-95.2	-23.6	0	0	0	108.4
723	G	32.3	Very low	32.6	Very low	66 Å²	66	121.6 Å²	121.6	68%	0.68	71%	0.71	S	S	*	*			cis	179.8	139.2	-12.3	0	0	0	0	0	111.7
724	K	32	Very low	32.3	Very low	210 Å²	210	123.7 Å²	123.7	91%	0.913	71%	0.705	S	S	*	*	S	Bend	trans	-170.5	142.5	142.9	-103.1	164.4	-171.7	-179	0	109.4
725	S	30.5	Very low	32.8	Very low	115 Å²	115	129.1 Å²	129.1	80%	0.804	73%	0.729	S	S	*	*	S	Bend	trans	62.2	111.9	-175.2	62.2	0	0	0	0	119.7
726	S	31.2	Very low	32.9	Very low	110 Å²	110	130.2 Å²	130.2	77%	0.769	73%	0.727	S	S	*	*			trans	70.4	95.7	149	58.4	0	0	0	0	122.3
727	K	34.6	Very low	33.2	Very low	199 Å²	199	132.5 Å²	132.5	87%	0.865	73%	0.728	S	S	*	*			trans	77.1	101.8	134.3	-64.4	-173.8	176.5	-178.5	0	120.1
728	S	37	Very low	33.4	Very low	95 Å²	95	133.7 Å²	133.7	66%	0.664	74%	0.737	S	S	*	*			trans	58.6	98.1	136.8	57.9	0	0	0	0	120
729	E	36.1	Very low	33.8	Very low	167 Å²	167	136.2 Å²	136.2	78%	0.78	74%	0.744	S	S	*	*				79.4	113.2	115.3	-71.3	173.2	132	0	0	120.8
730	N	36.6	Very low	34.1	Very low	87 Å²	87	140.8 Å²	140.8	47%	0.465	75%	0.749	S	S	.	*				50.4	141.7	111.8	-58	-22.2	0	0	0	119
731	Q	35.5	Very low	34.3	Very low	161 Å²	161	141.3 Å²	141.3	75%	0.752	76%	0.758	S	S	*	*			cis	-160.9	144.1	-0.3	-117.4	168.7	-1.4	0	0	109.8
732	M	31.5	Very low	34.3	Very low	93 Å²	93	145.2 Å²	145.2	46%	0.458	77%	0.769	S	S	.	*			trans	-9.1	140.7	140.4	-87.2	-106.4	-78.3	0	0	120	I717 C718	I717-M732 HydrophobicContact CG2-CE 4.3Å; C718-M732 HydrophobicContact CB-CE 3.76Å; C718-M732 HydrophobicContact CB-CG 4.41Å; C718-M732 HydrophobicContact CB-SD 3.91Å; C718-M732 PolarHBondContact SG-SD 2.94Å
733	I	37.7	Very low	34.4	Very low	159 Å²	159	142.7 Å²	142.7	82%	0.815	76%	0.755	S	S	*	*				-177.4	152.8	111.6	-90.9	156.6	0	0	0	111.8
734	Y	30.8	Very low	34.6	Very low	157 Å²	157	149.1 Å²	149.1	62%	0.616	76%	0.762	S	S	*	*			trans	-55.2	150.3	-174.3	-85.7	-109	0	0	0	118.9	I717	I717-Y734 WeakPolarHBondContact CD1-OH 3.34Å
735	L	42.2	Very low	34.9	Very low	236 Å²	236	143.5 Å²	143.5	100%	1.236	75%	0.748	S	S	*	*				-137.4	0	122.1	-115.6	174	0	0	0	109.5

Retrieved 735 of 735 residues in 770.1 ms (Link to these results)

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