A0A3Q0KEM0_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KEM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 486 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	33.6	Very low	33.4	Very low	238 Å²	238	163.4 Å²	163.4	100%	1.172	85%	0.846	S	S	*	*				0	120.5	0	-67.2	148	174.9	0	0	106.4
2	N	35.4	Very low	33	Very low	140 Å²	140	167.8 Å²	167.8	75%	0.749	85%	0.846	S	S	*	*			cis	-121	163.7	0.5	-75.1	-15.6	0	0	0	111.4
3	R	28.9	Very low	33.1	Very low	238 Å²	238	172.9 Å²	172.9	90%	0.898	85%	0.849	S	S	*	*			trans	-88.5	132.4	173.5	-60.6	176.7	-175.9	159.8	-0.4	109.2
4	Y	36.8	Very low	33.2	Very low	216 Å²	216	168.9 Å²	168.9	85%	0.847	84%	0.842	S	S	*	*			trans	-139.3	102.4	158.9	-82.5	-74.4	0	0	0	109.1
5	S	31.6	Very low	33.1	Very low	113 Å²	113	169.9 Å²	169.9	79%	0.79	84%	0.84	S	S	*	*			trans	-103	104.9	171.9	51.8	0	0	0	0	108.9
6	T	36.3	Very low	33.2	Very low	134 Å²	134	166.4 Å²	166.4	82%	0.822	83%	0.825	S	S	*	*			trans	-95	110.4	169.1	37.6	0	0	0	0	109.7	Y8	T6-Y8 PolarHBondContact O-N 3.06Å
7	I	34.7	Very low	33.3	Very low	168 Å²	168	164.7 Å²	164.7	86%	0.862	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-70.5	122.9	171.2	-59.8	170.6	0	0	0	107.6
8	Y	32.7	Very low	33.4	Very low	222 Å²	222	163.2 Å²	163.2	87%	0.871	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-101.2	136.2	171.4	-148.6	-91.8	0	0	0	110.1	T6	T6-Y8 PolarHBondContact O-N 3.06Å
9	S	36.3	Very low	33.5	Very low	95 Å²	95	167.2 Å²	167.2	66%	0.664	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-68.5	142.2	-172.4	-173.4	0	0	0	0	112.5	S11	S9-S11 PolarHBondContact O-N 3.13Å
10	S	29.1	Very low	33.5	Very low	123 Å²	123	170.3 Å²	170.3	86%	0.86	82%	0.818	S	S	*	*			trans	-86.9	98.6	-177.7	48.9	0	0	0	0	112.5
11	S	31.8	Very low	33.5	Very low	110 Å²	110	167.5 Å²	167.5	77%	0.769	81%	0.811	S	S	*	*			trans	-140.8	34.3	175.5	55.7	0	0	0	0	114.6	S9	S9-S11 PolarHBondContact O-N 3.13Å
12	Y	29.2	Very low	33.5	Very low	216 Å²	216	164.3 Å²	164.3	85%	0.847	80%	0.799	S	S	*	*			trans	-121.1	112.5	168.1	-155.1	-95.7	0	0	0	110.7
13	R	34	Very low	33.4	Very low	235 Å²	235	162.4 Å²	162.4	89%	0.887	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-87.8	124.9	171.8	-70.9	-171.8	179.4	-135.7	1.9	109
14	P	33.9	Very low	33.7	Very low	116 Å²	116	158.9 Å²	158.9	75%	0.753	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-58.7	140.1	168.9	-22.2	33.7	0	0	0	110.8
15	F	32.3	Very low	33.6	Very low	185 Å²	185	156.1 Å²	156.1	81%	0.811	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-75.4	130.5	169.6	-160.3	-96.2	0	0	0	108.9	E17	F15-E17 PolarHBondContact O-N 3Å; F15-E17 VanDerWaalsContact O-N 3.09Å
16	D	35	Very low	33.7	Very low	113 Å²	113	160.1 Å²	160.1	60%	0.604	80%	0.803	S	S	*	*			trans	-85.8	86.2	-170.2	-162.8	-6.3	0	0	0	111.5	N18	D16-N18 PolarHBondContact O-N 3.39Å; D16-N18 VanDerWaalsContact O-N 3.09Å; D16-N18 PolarHBondContact OD1-ND2 2.96Å
17	E	34.3	Very low	33.6	Very low	138 Å²	138	158.3 Å²	158.3	65%	0.645	80%	0.802	S	S	*	*	G	3₁₀ helix	trans	-63.3	-12.5	-175.3	-150	81.7	-114.6	0	0	113.5	F15 R19	F15-E17 PolarHBondContact O-N 3Å; F15-E17 VanDerWaalsContact O-N 3.09Å; E17-R19 PolarHBondContact O-N 3.41Å
18	N	35.2	Very low	33.7	Very low	138 Å²	138	156.6 Å²	156.6	74%	0.738	80%	0.8	S	S	*	*	G	3₁₀ helix	trans	-71.5	2.4	-175	-68.7	-59.2	0	0	0	115.3	D16	D16-N18 PolarHBondContact O-N 3.39Å; D16-N18 VanDerWaalsContact O-N 3.09Å; D16-N18 PolarHBondContact OD1-ND2 2.96Å
19	R	35.3	Very low	34	Very low	239 Å²	239	153.2 Å²	153.2	90%	0.902	80%	0.795	S	S	*	*	G	3₁₀ helix	trans	-95.3	7.2	-179.3	-98.5	-172.9	178.7	-163.9	0.5	116.1	E17	E17-R19 PolarHBondContact O-N 3.41Å
20	R	34.7	Very low	34.5	Very low	228 Å²	228	153.6 Å²	153.6	86%	0.86	80%	0.795	S	S	*	*	S	Bend	trans	-109.1	9.5	-178.9	-95.1	-178.7	169.7	172.5	-2.7	116.7
21	T	33.3	Very low	35.8	Very low	112 Å²	112	153.2 Å²	153.2	69%	0.687	79%	0.79	S	S	*	*	S	Bend	trans	-135.1	47.7	-176.7	42.9	0	0	0	0	113.9
22	N	33	Very low	36.6	Very low	171 Å²	171	152.8 Å²	152.8	91%	0.914	79%	0.785	S	S	*	*	S	Bend	trans	-169.7	75.6	159.5	-97.7	-34.8	0	0	0	112.3
23	A	32.9	Very low	37.5	Very low	100 Å²	100	148.5 Å²	148.5	83%	0.826	78%	0.783	S	S	*	*			trans	-152	21.4	176.8	0	0	0	0	0	114.9
24	I	35.7	Very low	38.3	Very low	165 Å²	165	145.5 Å²	145.5	85%	0.846	78%	0.779	S	S	*	*			trans	-130.6	77.6	175	-52.5	-179.7	0	0	0	109.1
25	N	35.4	Very low	38.6	Very low	157 Å²	157	145.8 Å²	145.8	84%	0.84	78%	0.783	S	S	*	*	S	Bend	trans	-164.1	132.1	161.2	-108.6	-47.5	0	0	0	110.8
26	K	32.8	Very low	38.6	Very low	197 Å²	197	143.7 Å²	143.7	86%	0.857	79%	0.786	S	S	*	*			trans	51	80.5	167.6	-62.8	-175.6	177.9	-179.5	0	117.7
27	A	34.7	Very low	38.7	Very low	96 Å²	96	143.7 Å²	143.7	79%	0.793	79%	0.79	S	S	*	*			trans	-126.8	95	142.6	0	0	0	0	0	108	I29	A27-I29 PolarHBondContact O-N 3.43Å
28	T	36	Very low	38.9	Very low	133 Å²	133	143.9 Å²	143.9	82%	0.816	79%	0.794	S	S	*	*			trans	-80	106.6	-176.6	-51.5	0	0	0	0	109.9
29	I	38.6	Very low	39	Very low	150 Å²	150	144.9 Å²	144.9	77%	0.769	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-83	124.8	172.4	-57.6	176	0	0	0	108.3	A27	A27-I29 PolarHBondContact O-N 3.43Å
30	P	46.4	Very low	39.4	Very low	104 Å²	104	138.3 Å²	138.3	68%	0.675	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-74.8	146	175.5	30.9	-34.1	0	0	0	111.4
31	P	58	Low	39.7	Very low	115 Å²	115	135.5 Å²	135.5	75%	0.747	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-72.2	154.8	172.9	31.4	-35	0	0	0	111.6
32	P	48.4	Very low	40	Very low	101 Å²	101	138 Å²	138	66%	0.656	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-71.3	150.6	174.9	31.2	-35.4	0	0	0	111.8
33	P	47.4	Very low	40	Very low	125 Å²	125	136.4 Å²	136.4	81%	0.812	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-80.2	138.2	176.2	32.6	-33.7	0	0	0	111.8
34	H	50.3	Low	40.3	Very low	173 Å²	173	139 Å²	139	80%	0.801	78%	0.776	S	S	*	*			trans	-126.5	137.9	163.1	-79.4	-67.5	0	0	0	110.1
35	S	41	Very low	40.4	Very low	122 Å²	122	138.4 Å²	138.4	85%	0.853	77%	0.774	S	S	*	*			trans	-77.9	150.1	-167.5	-48.5	0	0	0	0	113.7
36	T	32.5	Very low	40.5	Very low	140 Å²	140	134.8 Å²	134.8	86%	0.859	77%	0.773	S	S	*	*			trans	-117.3	109.6	-177	-49.3	0	0	0	0	111.4
37	T	37.3	Very low	40.6	Very low	114 Å²	114	131.8 Å²	131.8	70%	0.699	77%	0.772	S	S	*	*			trans	-150.1	116.2	179	-34.6	0	0	0	0	113.3
38	I	38.2	Very low	40.5	Very low	142 Å²	142	132 Å²	132	73%	0.728	77%	0.768	S	S	*	*			trans	55.7	100.9	147.4	-61.9	177.3	0	0	0	116.9
39	L	38.1	Very low	40.3	Very low	158 Å²	158	133 Å²	133	83%	0.827	77%	0.767	S	S	*	*				92.8	157.5	74	-77.1	170.3	0	0	0	114
40	P	43.5	Very low	39.9	Very low	102 Å²	102	131 Å²	131	66%	0.662	77%	0.767	S	S	*	*			trans	-126.8	178.8	-145.6	44.7	-33.5	0	0	0	116.2
41	H	39.9	Very low	39.2	Very low	168 Å²	168	136.2 Å²	136.2	78%	0.778	77%	0.774	S	S	*	*			trans	-168.9	148.6	140.8	-108.5	-64.3	0	0	0	114.5
42	Q	39	Very low	38	Very low	165 Å²	165	136.3 Å²	136.3	77%	0.771	77%	0.772	S	S	*	*			trans	56.3	123	153.2	-58.6	172.2	43.8	0	0	118.5
43	N	34.6	Very low	37.4	Very low	138 Å²	138	134.8 Å²	134.8	74%	0.738	78%	0.775	S	S	*	*			cis	76.5	109.3	29.9	-165.3	32.7	0	0	0	115.8
44	M	39.6	Very low	36.9	Very low	154 Å²	154	137 Å²	137	76%	0.759	78%	0.775	S	S	*	*			trans	176.4	130.9	138	-94.7	-58.2	172.9	0	0	113
45	N	37.6	Very low	36.1	Very low	153 Å²	153	134.6 Å²	134.6	82%	0.818	77%	0.772	S	S	*	*			trans	11.9	142	151.1	-53.9	-18.5	0	0	0	123.3
46	G	36.3	Very low	35.7	Very low	80 Å²	80	140.8 Å²	140.8	83%	0.825	78%	0.777	S	S	*	*			trans	-178	134.2	158.1	0	0	0	0	0	113.3
47	T	35.9	Very low	35.8	Very low	135 Å²	135	138.5 Å²	138.5	83%	0.828	77%	0.772	S	S	*	*			trans	-118.6	148.7	-169.4	45.8	0	0	0	0	115.9
48	S	32.5	Very low	35.8	Very low	100 Å²	100	138.9 Å²	138.9	70%	0.699	78%	0.779	S	S	*	*			trans	71.2	129.6	141	64	0	0	0	0	123.2
49	L	31.2	Very low	35.3	Very low	155 Å²	155	139.3 Å²	139.3	81%	0.812	78%	0.783	S	S	*	*			trans	75.5	101.2	135.6	-70.2	167.5	0	0	0	122.5
50	S	29.8	Very low	35.6	Very low	108 Å²	108	136.1 Å²	136.1	76%	0.755	77%	0.772	S	S	*	*				83	159.7	121.4	77.6	0	0	0	0	122.5
51	Y	32.7	Very low	35.2	Very low	212 Å²	212	136.1 Å²	136.1	83%	0.831	77%	0.77	S	S	*	*			trans	95	105.8	155.9	-132.4	-107.9	0	0	0	121.1
52	V	32.4	Very low	35	Very low	117 Å²	117	135.3 Å²	135.3	71%	0.709	77%	0.772	S	S	*	*			trans	60	133.5	139	176.6	0	0	0	0	121.8
53	G	35.5	Very low	35	Very low	69 Å²	69	135.1 Å²	135.1	71%	0.711	77%	0.77	S	S	*	*			trans	179.3	92.1	165.8	0	0	0	0	0	115.6
54	Q	36.5	Very low	35	Very low	173 Å²	173	133.5 Å²	133.5	81%	0.808	77%	0.77	S	S	*	*			trans	32.2	117.7	133.4	-66.4	170.7	-0.5	0	0	119.7
55	T	33.9	Very low	34.5	Very low	121 Å²	121	132 Å²	132	74%	0.742	77%	0.769	S	S	*	*				83.1	123.2	54.1	62.5	0	0	0	0	116.8
56	W	33.4	Very low	34.2	Very low	253 Å²	253	131.7 Å²	131.7	96%	0.958	77%	0.766	S	S	*	*			trans	-165.1	123.5	138.9	-86.6	0.2	0	0	0	105.9
57	A	34.9	Very low	34	Very low	91 Å²	91	133.2 Å²	133.2	75%	0.752	76%	0.76	S	S	*	*				78.5	127.1	70.3	0	0	0	0	0	112.2
58	S	36.6	Very low	33.7	Very low	122 Å²	122	133.1 Å²	133.1	85%	0.853	76%	0.759	S	S	*	*			cis	-151.2	166.3	11.4	-62.3	0	0	0	0	114.2
59	D	28.4	Very low	33.8	Very low	152 Å²	152	132.3 Å²	132.3	81%	0.813	77%	0.767	S	S	*	*			trans	-102.1	-161.8	164.5	-146.8	9.3	0	0	0	108.1
60	P	43.6	Very low	33.7	Very low	91 Å²	91	131 Å²	131	59%	0.591	77%	0.765	S	S	*	*			cis	-140.9	-178.6	-15.8	36.4	-14	0	0	0	116.9
61	T	35.3	Very low	34	Very low	102 Å²	102	132 Å²	132	63%	0.626	77%	0.767	S	S	*	*			trans	52.8	127.1	145.6	49.4	0	0	0	0	124.4
62	N	36	Very low	34.1	Very low	150 Å²	150	127.2 Å²	127.2	80%	0.802	76%	0.76	S	S	*	*				-179.7	127.2	115.4	-88.2	-32.3	0	0	0	109.3
63	H	38.8	Very low	34.1	Very low	161 Å²	161	128.4 Å²	128.4	75%	0.745	76%	0.763	S	S	*	*				79.8	117.1	53	-89.8	-72.8	0	0	0	117
64	S	34.1	Very low	34	Very low	104 Å²	104	131.3 Å²	131.3	73%	0.727	77%	0.767	S	S	*	*			trans	66.2	160.4	147.7	50.1	0	0	0	0	122.3
65	T	30.1	Very low	33.8	Very low	122 Å²	122	129.2 Å²	129.2	75%	0.748	76%	0.761	S	S	*	*			cis	-163.7	155.4	-47.5	-39.8	0	0	0	0	109.3
66	I	30.7	Very low	33.7	Very low	147 Å²	147	134.8 Å²	134.8	75%	0.754	77%	0.77	S	S	*	*			trans	68.4	148.7	160.9	-20.5	178	0	0	0	120.5
67	T	31.7	Very low	33.5	Very low	113 Å²	113	128 Å²	128	69%	0.693	76%	0.757	S	S	*	*			trans	101.2	96.9	140.8	8.1	0	0	0	0	121.2
68	T	29	Very low	33.5	Very low	132 Å²	132	133 Å²	133	81%	0.81	76%	0.764	S	S	*	*			trans	39.6	124	135.4	59.9	0	0	0	0	122
69	G	35.8	Very low	33.3	Very low	84 Å²	84	131.3 Å²	131.3	87%	0.866	76%	0.757	S	S	*	*			trans	-150	108.2	154.6	0	0	0	0	0	111
70	T	29.4	Very low	33.3	Very low	126 Å²	126	129.1 Å²	129.1	77%	0.773	75%	0.754	S	S	*	*			trans	-100.4	143.6	-176.5	47.1	0	0	0	0	112.6
71	T	35.6	Very low	33	Very low	130 Å²	130	130.4 Å²	130.4	80%	0.798	76%	0.762	S	S	*	*			trans	148.3	150.8	152	42.7	0	0	0	0	110.9
72	T	34.7	Very low	32.5	Very low	111 Å²	111	135 Å²	135	68%	0.681	77%	0.77	S	S	*	*			cis	-167	139.1	-29.2	23.3	0	0	0	0	108.2
73	N	31.3	Very low	32.2	Very low	143 Å²	143	135.8 Å²	135.8	77%	0.765	77%	0.772	S	S	*	*			trans	59.4	157.8	154	-64	-21.8	0	0	0	118.1
74	T	35.1	Very low	31.6	Very low	130 Å²	130	133.1 Å²	133.1	80%	0.798	77%	0.767	S	S	*	*			cis	-129.1	162.3	20.1	44.6	0	0	0	0	114.4
75	N	31.2	Very low	31.3	Very low	128 Å²	128	133.7 Å²	133.7	68%	0.684	77%	0.77	S	S	*	*			trans	-82.2	154.6	173.7	-56.5	-56.9	0	0	0	112
76	Y	32.1	Very low	31.3	Very low	238 Å²	238	134.4 Å²	134.4	93%	0.933	77%	0.768	S	S	*	*			trans	-141.6	133.7	133.6	-98.8	-73.5	0	0	0	110.4
77	T	29.5	Very low	31.1	Very low	110 Å²	110	134.4 Å²	134.4	68%	0.675	77%	0.769	S	S	*	*			trans	-128.8	130.4	-171.2	50	0	0	0	0	111.2
78	H	34	Very low	31.1	Very low	198 Å²	198	137 Å²	137	92%	0.917	78%	0.779	S	S	*	*			trans	-172.7	149.7	149.7	-97.6	-76.5	0	0	0	106.8
79	A	32.7	Very low	30.9	Very low	85 Å²	85	141 Å²	141	70%	0.702	78%	0.779	S	S	*	*			cis	170.5	145.6	-23.3	0	0	0	0	0	104.1
80	S	28.8	Very low	30.8	Very low	107 Å²	107	144.6 Å²	144.6	75%	0.748	78%	0.778	S	S	*	*			trans	-85	-178.7	175.8	-134	0	0	0	0	110.5
81	P	36.1	Very low	30.7	Very low	118 Å²	118	144.6 Å²	144.6	77%	0.766	77%	0.772	S	S	*	*			cis	-149.4	-178.4	45.1	42.3	-20	0	0	0	118.8
82	Y	26.1	Very low	30.5	Very low	198 Å²	198	146.1 Å²	146.1	78%	0.776	78%	0.775	S	S	*	*			trans	-51	155	164.2	-71.2	-114.8	0	0	0	114.9
83	I	30	Very low	30.1	Very low	166 Å²	166	148.3 Å²	148.3	85%	0.851	78%	0.783	S	S	*	*			trans	-133.1	141.3	145.2	-68	-174.1	0	0	0	109.3
84	T	25.3	Very low	30.2	Very low	105 Å²	105	147.5 Å²	147.5	64%	0.644	79%	0.788	S	S	*	*			trans	-140.3	123	176.8	-44.3	0	0	0	0	111
85	C	28.9	Very low	29.8	Very low	116 Å²	116	147.5 Å²	147.5	78%	0.784	79%	0.788	S	S	*	*			trans	-144.1	134.9	163.5	-63.2	0	0	0	0	106.9
86	I	29	Very low	29.8	Very low	137 Å²	137	147.8 Å²	147.8	70%	0.703	80%	0.795	S	S	*	*			cis	74	94.2	23	-49.4	-175.2	0	0	0	114.4
87	N	26.6	Very low	29.6	Very low	148 Å²	148	143.8 Å²	143.8	79%	0.791	79%	0.789	S	S	*	*			trans	27.2	130.2	144.1	-58.8	-17.8	0	0	0	120.5
88	N	31.7	Very low	29.7	Very low	167 Å²	167	148 Å²	148	89%	0.893	80%	0.801	S	S	*	*				-148	162.7	122.5	-122.1	-33.9	0	0	0	113.6
89	R	25.7	Very low	29.3	Very low	217 Å²	217	144.6 Å²	144.6	82%	0.819	80%	0.795	S	S	*	*			trans	-92.4	159.3	-176.7	-62.9	174	173.8	173.7	-2.9	112.3
90	L	32	Very low	29.1	Very low	158 Å²	158	146.3 Å²	146.3	83%	0.827	80%	0.802	S	S	*	*			trans	175.8	105.5	130.1	-91.1	159	0	0	0	106.9
91	I	27.7	Very low	29	Very low	127 Å²	127	148.7 Å²	148.7	65%	0.651	81%	0.806	S	S	*	*				55.3	108.2	89.1	-57.7	178.9	0	0	0	113.3
92	N	31.3	Very low	28.5	Very low	161 Å²	161	148.7 Å²	148.7	86%	0.861	81%	0.809	S	S	*	*				-160.2	142.2	125.2	-101.9	-24.8	0	0	0	111
93	N	26.3	Very low	28.5	Very low	158 Å²	158	147.2 Å²	147.2	85%	0.845	81%	0.814	S	S	*	*			trans	-105.6	136.2	179.1	-74.4	-29.1	0	0	0	110.4
94	S	33.3	Very low	28.4	Very low	125 Å²	125	144 Å²	144	87%	0.874	81%	0.806	S	S	*	*			trans	-143.9	120.5	154.7	-60.2	0	0	0	0	110.5
95	T	27.8	Very low	28.5	Very low	131 Å²	131	147.3 Å²	147.3	80%	0.804	82%	0.819	S	S	*	*			trans	-56.8	151.9	161.2	46.9	0	0	0	0	110.5
96	T	31.5	Very low	28.4	Very low	134 Å²	134	152.3 Å²	152.3	82%	0.822	82%	0.821	S	S	*	*				-159.4	166.4	70.8	37	0	0	0	0	114.5
97	N	26.4	Very low	28.4	Very low	154 Å²	154	155.3 Å²	155.3	82%	0.824	82%	0.823	S	S	*	*			trans	-71.5	145.2	172.9	-59.8	-47.6	0	0	0	112.3
98	Q	32.9	Very low	28.6	Very low	197 Å²	197	154 Å²	154	92%	0.921	82%	0.817	S	S	*	*				-156.6	151.3	125.1	-115.8	170.4	57.1	0	0	113
99	T	25.5	Very low	28.5	Very low	127 Å²	127	153.2 Å²	153.2	78%	0.779	81%	0.809	S	S	*	*			trans	-94.2	135.2	-176.7	47.2	0	0	0	0	111.7
100	S	29.1	Very low	28.9	Very low	122 Å²	122	151.6 Å²	151.6	85%	0.853	80%	0.803	S	S	*	*			trans	-171.7	155.4	135.2	-90.7	0	0	0	0	114.6
101	N	25.4	Very low	28.8	Very low	156 Å²	156	149.6 Å²	149.6	83%	0.834	79%	0.794	S	S	*	*			trans	-58.6	169.6	-173.4	-67.6	-45.1	0	0	0	116.9
102	S	25.7	Very low	29	Very low	118 Å²	118	149.9 Å²	149.9	83%	0.825	80%	0.796	S	S	*	*			trans	76.7	123	171.8	80.8	0	0	0	0	116.1
103	L	27.4	Very low	28.9	Very low	168 Å²	168	147.9 Å²	147.9	88%	0.88	79%	0.794	S	S	*	*			trans	-161.7	145.6	135.9	-108.9	170.7	0	0	0	109.2
104	S	26.5	Very low	29.2	Very low	98 Å²	98	149.5 Å²	149.5	69%	0.685	80%	0.796	S	S	*	*			trans	-76.9	134.4	-169.7	40.5	0	0	0	0	113	R106	S104-R106 PolarHBondContact O-N 3.2Å
105	L	27.4	Very low	29.2	Very low	175 Å²	175	151 Å²	151	92%	0.916	79%	0.793	S	S	*	*			trans	-67.5	90.3	170.6	-84.4	165.9	0	0	0	110.6	R107	L105-R107 PolarHBondContact O-N 3.2Å
106	R	26.5	Very low	29.4	Very low	221 Å²	221	150.6 Å²	150.6	83%	0.834	79%	0.793	S	S	*	*			trans	-61.8	117.1	162	-75	-167.5	178.7	-145.5	2.4	108.7	S104 N108	S104-R106 PolarHBondContact O-N 3.2Å; R106-N108 PolarHBondContact O-N 3.03Å
107	R	30.2	Very low	29.3	Very low	199 Å²	199	152.9 Å²	152.9	75%	0.751	80%	0.798	S	S	*	*			trans	-75.2	108.4	164.9	-82.6	-179.6	163.5	161.5	-4.2	108.4	L105 M109 N315	L105-R107 PolarHBondContact O-N 3.2Å; R107-M109 PolarHBondContact O-N 3.04Å; R107-M109 VanDerWaalsContact O-N 3.11Å; R107-N315 PolarHBondContact NH2-OD1 2.89Å
108	N	30.9	Very low	29.6	Very low	122 Å²	122	148.9 Å²	148.9	65%	0.652	79%	0.793	S	S	*	*			trans	-74.6	97.7	164.9	-67.6	7.3	0	0	0	107.8	R106	R106-N108 PolarHBondContact O-N 3.03Å
109	M	28.9	Very low	29.5	Very low	149 Å²	149	145.5 Å²	145.5	73%	0.734	78%	0.782	S	S	*	*			trans	-66.1	138.6	161.6	-75.7	166.7	58	0	0	108.6	R107 D111	R107-M109 PolarHBondContact O-N 3.04Å; R107-M109 VanDerWaalsContact O-N 3.11Å; M109-D111 WeakPolarHBondContact CE-OD2 3.46Å
110	W	35	Very low	29.8	Very low	183 Å²	183	148 Å²	148	69%	0.693	78%	0.781	S	S	*	*			trans	-122.8	79.7	175.9	-72.3	82.5	0	0	0	107.1
111	D	29.4	Very low	29.9	Very low	117 Å²	117	151.1 Å²	151.1	63%	0.626	78%	0.783	S	S	*	*			trans	-109.5	58.6	178.8	-70	-54.7	0	0	0	109.9	M109 C113	M109-D111 WeakPolarHBondContact CE-OD2 3.46Å; D111-C113 PolarHBondContact O-N 3.09Å
112	D	31.3	Very low	30	Very low	133 Å²	133	154.1 Å²	154.1	71%	0.711	78%	0.782	S	S	*	*			trans	-78.2	97.1	174	-63.7	-56.3	0	0	0	109.9	E114	D112-E114 PolarHBondContact O-N 3.03Å
113	C	29.5	Very low	30.5	Very low	119 Å²	119	154.5 Å²	154.5	80%	0.804	79%	0.785	S	S	*	*			trans	-91.4	91.1	176.1	-72.6	0	0	0	0	111.2	D111 L115	D111-C113 PolarHBondContact O-N 3.09Å; C113-L115 PolarHBondContact O-N 2.83Å
114	E	33.6	Very low	30.6	Very low	192 Å²	192	155.6 Å²	155.6	90%	0.897	78%	0.783	S	S	*	*			trans	-82.9	111.4	164.2	-69.5	-164.8	146.9	0	0	110.8	D112	D112-E114 PolarHBondContact O-N 3.03Å
115	L	33.5	Very low	30.6	Very low	156 Å²	156	157 Å²	157	82%	0.817	79%	0.789	S	S	*	*			trans	-107.5	138.9	162.7	-73.6	173.4	0	0	0	108.9	C113	C113-L115 PolarHBondContact O-N 2.83Å
116	P	32.1	Very low	30.7	Very low	123 Å²	123	157.2 Å²	157.2	80%	0.799	79%	0.79	S	S	*	*			trans	-70.6	152.6	178.7	29.7	-34.8	0	0	0	112.3
117	I	28.5	Very low	30.7	Very low	182 Å²	182	154 Å²	154	93%	0.933	79%	0.785	S	S	*	*			trans	-73.7	135.1	-173.3	-61.2	161.7	0	0	0	111.1
118	G	32.7	Very low	30.6	Very low	69 Å²	69	152.4 Å²	152.4	71%	0.711	78%	0.784	S	S	*	*			trans	-164.9	125.1	175.4	0	0	0	0	0	113.4
119	D	31.4	Very low	30.5	Very low	127 Å²	127	156.7 Å²	156.7	68%	0.679	79%	0.792	S	S	*	*			trans	-46	135.5	-162.8	-81.8	-76	0	0	0	122.2
120	K	30	Very low	30.4	Very low	178 Å²	178	157.2 Å²	157.2	77%	0.774	80%	0.798	S	S	*	*				28.7	121	127.1	-51.5	178.2	-169.5	100.9	0	119.8
121	Q	33.1	Very low	30.2	Very low	188 Å²	188	152.7 Å²	152.7	88%	0.879	79%	0.794	S	S	*	*				-164.6	170.9	113.1	-100.8	-63.1	0.2	0	0	110.4
122	R	27.2	Very low	30.3	Very low	220 Å²	220	153.7 Å²	153.7	83%	0.83	80%	0.799	S	S	*	*			trans	-140.6	121.9	-152.7	174.2	-160.1	-174.1	-164.3	6.7	115.3
123	S	34.6	Very low	30.3	Very low	125 Å²	125	154.8 Å²	154.8	87%	0.874	81%	0.805	S	S	*	*			trans	-157.1	144.5	152.9	54.3	0	0	0	0	113.5
124	K	30.8	Very low	30.6	Very low	192 Å²	192	154.4 Å²	154.4	84%	0.835	80%	0.801	S	S	*	*			trans	-74.2	163.6	-162.3	-65.8	175.9	173.2	-176.5	0	116.3
125	P	26.8	Very low	30.5	Very low	127 Å²	127	151.2 Å²	151.2	83%	0.825	79%	0.794	S	S	*	*			trans	-87	178.6	166.5	38.8	-37.2	0	0	0	113.4
126	L	30	Very low	30.5	Very low	179 Å²	179	148.7 Å²	148.7	94%	0.937	79%	0.79	S	S	*	*			trans	-137.4	169.3	164.7	-120.3	168.4	0	0	0	109.9
127	E	26.1	Very low	30.3	Very low	155 Å²	155	150.4 Å²	150.4	72%	0.724	79%	0.792	S	S	*	*			trans	-140.3	162.2	-143.2	-137.5	179.4	-158.4	0	0	114.3
128	F	26.5	Very low	30.4	Very low	164 Å²	164	149.3 Å²	149.3	72%	0.719	79%	0.787	S	S	*	*			trans	49.5	129.5	165.1	-75	-76.9	0	0	0	121
129	Y	29.4	Very low	30.3	Very low	213 Å²	213	152 Å²	152	84%	0.835	79%	0.785	S	S	*	*				-164.7	158.7	93.9	-118.6	-90.3	0	0	0	111.9
130	N	26.5	Very low	30.2	Very low	159 Å²	159	154.8 Å²	154.8	85%	0.85	79%	0.791	S	S	*	*			trans	-155.4	120.6	179.8	-126.8	-10.9	0	0	0	110.5
131	S	32.1	Very low	30.3	Very low	89 Å²	89	152.3 Å²	152.3	62%	0.622	79%	0.791	S	S	*	*			trans	179	156.6	175.2	45.4	0	0	0	0	109.8
132	D	31.5	Very low	30	Very low	137 Å²	137	150.8 Å²	150.8	73%	0.733	79%	0.789	S	S	*	*			cis	-158	126.2	-22.4	-101.9	-42	0	0	0	111.7
133	L	30.1	Very low	30.3	Very low	156 Å²	156	149.1 Å²	149.1	82%	0.817	79%	0.79	S	S	*	*			trans	56.2	-163.6	146.3	-54.7	172	0	0	0	118.2
134	P	36.6	Very low	30.1	Very low	111 Å²	111	150.1 Å²	150.1	72%	0.721	78%	0.784	S	S	*	*				-136.8	-165.7	-112.5	40.8	-18.4	0	0	0	115.5
135	V	31.2	Very low	30.1	Very low	125 Å²	125	146.1 Å²	146.1	76%	0.758	78%	0.776	S	S	*	*				165.1	148	129	152.6	0	0	0	0	115.4
136	S	33.4	Very low	30.3	Very low	104 Å²	104	148 Å²	148	73%	0.727	77%	0.772	S	S	*	*			trans	82.6	141.9	157.6	71	0	0	0	0	122.3
137	N	27.2	Very low	30.4	Very low	159 Å²	159	145.3 Å²	145.3	85%	0.85	76%	0.758	S	S	*	*			trans	-127	135.1	173.9	-67.5	-74.2	0	0	0	110
138	L	30.8	Very low	30.8	Very low	159 Å²	159	143.1 Å²	143.1	83%	0.832	75%	0.751	S	S	*	*			trans	-158.3	152.5	162.1	-89.9	111.9	0	0	0	109.3
139	L	31.6	Very low	31	Very low	126 Å²	126	144.6 Å²	144.6	66%	0.66	75%	0.753	S	S	*	*			cis	-172.4	123.1	-34.5	-124.1	177	0	0	0	108.6
140	K	29.9	Very low	31.3	Very low	184 Å²	184	140.2 Å²	140.2	80%	0.8	75%	0.749	S	S	*	*			trans	59.6	168.1	163.4	-69.7	174.3	-177.2	179.5	0	116.5
141	T	31.6	Very low	31.5	Very low	127 Å²	127	139.7 Å²	139.7	78%	0.779	75%	0.746	S	S	*	*			cis	-150.6	162.8	-21.2	11.7	0	0	0	0	108.5
142	N	26.6	Very low	31.4	Very low	156 Å²	156	142 Å²	142	83%	0.834	76%	0.757	S	S	*	*			trans	-105.9	132.8	176.5	-71.3	-11.2	0	0	0	112.8
143	E	32.9	Very low	31.3	Very low	184 Å²	184	141.3 Å²	141.3	86%	0.86	76%	0.76	S	S	*	*			trans	-133.4	135.7	153.8	-61.7	-177.4	138.8	0	0	105.7
144	I	30.3	Very low	31.3	Very low	146 Å²	146	143.6 Å²	143.6	75%	0.749	76%	0.763	S	S	*	*			cis	68	108.2	47.4	-60.4	179	0	0	0	109.5
145	T	30.9	Very low	30.9	Very low	109 Å²	109	149 Å²	149	67%	0.669	77%	0.769	S	S	*	*			cis	-166.7	160.2	8.7	6.1	0	0	0	0	112.5
146	K	31	Very low	30.5	Very low	167 Å²	167	150.9 Å²	150.9	73%	0.726	78%	0.775	S	S	*	*			trans	66	151.5	146.5	-68.4	174.7	147.5	-84	0	119.1
147	D	33.1	Very low	30.2	Very low	122 Å²	122	154.5 Å²	154.5	65%	0.652	78%	0.778	S	S	*	*			cis	-148.2	-156.9	-24.5	-82.7	-35.1	0	0	0	104.2
148	D	33.2	Very low	30	Very low	108 Å²	108	152.3 Å²	152.3	58%	0.578	78%	0.775	S	S	*	*			cis	-160.6	173.1	0.5	-160.4	-7.6	0	0	0	108.6
149	Y	32.1	Very low	29.7	Very low	196 Å²	196	148.8 Å²	148.8	77%	0.769	76%	0.764	S	S	*	*			trans	66	133.6	169.8	-56.4	-69.1	0	0	0	117.3
150	T	35.2	Very low	29.3	Very low	120 Å²	120	148.9 Å²	148.9	74%	0.736	77%	0.77	S	S	*	*			cis	-147.5	141.4	24.4	50.9	0	0	0	0	115.2
151	N	31.4	Very low	29.1	Very low	148 Å²	148	149.5 Å²	149.5	79%	0.791	77%	0.768	S	S	*	*			trans	30.9	114.6	143.1	-67.3	-31.2	0	0	0	122
152	T	29.7	Very low	28.7	Very low	138 Å²	138	149.6 Å²	149.6	85%	0.847	77%	0.769	S	S	*	*				-176.7	154	103	26.7	0	0	0	0	111.7
153	P	28.2	Very low	28.7	Very low	123 Å²	123	147.5 Å²	147.5	80%	0.799	76%	0.762	S	S	*	*			trans	-88.7	133	-161.9	33	-35.2	0	0	0	114.9
154	K	30.3	Very low	28.4	Very low	204 Å²	204	145.7 Å²	145.7	89%	0.887	76%	0.763	S	S	*	*			trans	-111.3	129.8	161.4	-74.4	-176.4	177.5	176.7	0	110.2
155	R	28	Very low	28.4	Very low	225 Å²	225	141 Å²	141	85%	0.849	74%	0.741	S	S	*	*			trans	-74.9	125.5	-177.7	-67.9	175.5	174.4	165.5	-3.4	110.7	F157	R155-F157 HydrophobicContact CB-CD2 4.34Å; R155-F157 HydrophobicContact CB-CE2 4.47Å
156	N	23.7	Very low	28.4	Very low	163 Å²	163	139.1 Å²	139.1	87%	0.872	73%	0.733	S	S	*	*			trans	-79.1	123.4	163.9	-73.7	-27.8	0	0	0	109.6
157	F	26.4	Very low	29	Very low	180 Å²	180	133.3 Å²	133.3	79%	0.789	71%	0.709	S	S	*	*			trans	-123.1	97.3	162.6	-90.6	-79.4	0	0	0	108.9	R155	R155-F157 HydrophobicContact CB-CD2 4.34Å; R155-F157 HydrophobicContact CB-CE2 4.47Å
158	S	23.3	Very low	29	Very low	114 Å²	114	135.7 Å²	135.7	80%	0.797	71%	0.714	S	S	*	*			trans	-80.3	133	161.8	-174.5	0	0	0	0	108.3
159	S	25.1	Very low	29.4	Very low	85 Å²	85	133.5 Å²	133.5	59%	0.594	70%	0.702	S	S	*	*			trans	-149	66.9	-170.6	-169.3	0	0	0	0	111.3	Y161	S159-Y161 PolarHBondContact O-N 3.36Å; S159-Y161 VanDerWaalsContact O-N 3.16Å; S159-Y161 WeakPolarHBondContact OG-CD2 3.47Å
160	T	23.6	Very low	29.3	Very low	128 Å²	128	130.7 Å²	130.7	79%	0.785	70%	0.7	S	S	*	*			trans	-76.8	95.4	174.3	-52.6	0	0	0	0	110
161	Y	25.1	Very low	29	Very low	196 Å²	196	130.5 Å²	130.5	77%	0.769	70%	0.701	S	S	*	*			trans	-108.9	110.7	171.8	-83.2	-77.1	0	0	0	112.1	S159	S159-Y161 PolarHBondContact O-N 3.36Å; S159-Y161 VanDerWaalsContact O-N 3.16Å; S159-Y161 WeakPolarHBondContact OG-CD2 3.47Å
162	T	23.3	Very low	29	Very low	129 Å²	129	128.3 Å²	128.3	79%	0.791	70%	0.696	S	S	*	*			trans	-85.1	106	166.4	-56.5	0	0	0	0	109
163	T	27	Very low	28.8	Very low	113 Å²	113	126.8 Å²	126.8	69%	0.693	69%	0.691	S	S	*	*			trans	-99.2	128.4	175.2	45.4	0	0	0	0	111.4	V165	T163-V165 PolarHBondContact O-N 3Å
164	V	25	Very low	28.8	Very low	146 Å²	146	126.7 Å²	126.7	89%	0.885	69%	0.688	S	S	*	*			trans	-84.1	112.1	178.6	-176.8	0	0	0	0	109.1
165	V	30.3	Very low	28.6	Very low	48 Å²	48	122.9 Å²	122.9	29%	0.291	68%	0.682	S	S	.	*			trans	-91.7	128.9	-177.8	-177.6	0	0	0	0	110.4	T163	T163-V165 PolarHBondContact O-N 3Å
166	S	31.3	Very low	28.5	Very low	69 Å²	69	117 Å²	117	48%	0.483	67%	0.674	S	S	.	*			trans	-92.1	129.6	173.1	-179.3	0	0	0	0	110.9	K168	S166-K168 PolarHBondContact O-N 2.99Å
167	D	43	Very low	28.6	Very low	45 Å²	45	114.7 Å²	114.7	24%	0.241	67%	0.671	C	S	.	*			trans	-78.7	3.6	179.5	-60.1	-46.5	0	0	0	113.9	L169 R292 Q295 H296	D167-L169 PolarHBondContact O-N 3.01Å; D167-R292 IonicContact OD1-CZ 3.34Å; D167-R292 IonicContact OD1-NE 3.99Å; D167-R292 IonicContact OD1-NH2 2.69Å; D167-R292 PolarHBondContact OD1-NH2 3.42Å; D167-Q295 PolarHBondContact OD2-NE2 3.45Å; D167-H296 IonicContact OD2-CE1 3.5Å
168	K	35.1	Very low	28.7	Very low	172 Å²	172	110.4 Å²	110.4	75%	0.748	67%	0.669	S	S	*	*			trans	-93	98.3	-175.6	-69.2	-171.6	178.7	-177.8	0	112.6	S166	S166-K168 PolarHBondContact O-N 2.99Å
169	L	40.6	Very low	29	Very low	61 Å²	61	108 Å²	108	32%	0.319	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-76.1	121.7	154.8	-79.4	144.6	0	0	0	108.8	D167 A274 I391	D167-L169 PolarHBondContact O-N 3.01Å; L169-A274 HydrophobicContact CD1-CB 4.12Å; L169-I391 WeakPolarHBondContact CD1-O 3.44Å
170	N	29.9	Very low	29.1	Very low	137 Å²	137	108.3 Å²	108.3	73%	0.733	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-74.9	133.2	169.8	-75	-18.6	0	0	0	109.2	C172	N170-C172 PolarHBondContact O-N 3.45Å
171	P	29.7	Very low	29.3	Very low	117 Å²	117	113 Å²	113	76%	0.76	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-65.9	130.6	176.3	27.7	-33.8	0	0	0	110.2	S173	P171-S173 PolarHBondContact O-N 2.96Å
172	C	30.1	Very low	29.3	Very low	101 Å²	101	112.3 Å²	112.3	68%	0.682	68%	0.679	S	S	*	*			trans	-77.7	102.9	176	-67.8	0	0	0	0	109.9	N170 V174	N170-C172 PolarHBondContact O-N 3.45Å; C172-V174 PolarHBondContact O-N 3.12Å
173	S	27.2	Very low	29.8	Very low	106 Å²	106	111.7 Å²	111.7	74%	0.741	68%	0.68	S	S	*	*			trans	-69.6	109.2	170.6	49.2	0	0	0	0	110.2	P171 V175	P171-S173 PolarHBondContact O-N 2.96Å; S173-V175 PolarHBondContact O-N 2.77Å; S173-V175 VanDerWaalsContact O-N 3.09Å
174	V	28	Very low	29.8	Very low	121 Å²	121	113.5 Å²	113.5	73%	0.733	69%	0.685	S	S	*	*			trans	-70	103.1	170.5	-180	0	0	0	0	108.3	C172 S176	C172-V174 PolarHBondContact O-N 3.12Å; V174-S176 PolarHBondContact O-N 3.09Å; V174-S176 VanDerWaalsContact O-N 3.12Å
175	V	24.3	Very low	30.2	Very low	125 Å²	125	118.1 Å²	118.1	76%	0.758	69%	0.687	S	S	*	*			trans	-76.7	95	169.1	-178.9	0	0	0	0	107.6	S173 S177	S173-V175 PolarHBondContact O-N 2.77Å; S173-V175 VanDerWaalsContact O-N 3.09Å; V175-S177 PolarHBondContact O-N 3.47Å
176	S	26.5	Very low	30.3	Very low	100 Å²	100	122.9 Å²	122.9	70%	0.699	71%	0.711	S	S	*	*			trans	-65.5	97.3	172.1	-65	0	0	0	0	109.8	V174 A178	V174-S176 PolarHBondContact O-N 3.09Å; V174-S176 VanDerWaalsContact O-N 3.12Å; S176-A178 PolarHBondContact O-N 3.36Å
177	S	26.5	Very low	30.6	Very low	115 Å²	115	128.8 Å²	128.8	80%	0.804	73%	0.728	S	S	*	*			trans	-72.2	70.2	170.5	58	0	0	0	0	110.5	V175 G179	V175-S177 PolarHBondContact O-N 3.47Å; S177-G179 PolarHBondContact O-N 3.3Å; S177-G179 VanDerWaalsContact O-N 3.09Å
178	A	29	Very low	30.1	Very low	91 Å²	91	134.8 Å²	134.8	75%	0.752	75%	0.754	S	S	*	*			trans	-68.4	100.1	169.5	0	0	0	0	0	108.6	S176 A180	S176-A178 PolarHBondContact O-N 3.36Å; A178-A180 PolarHBondContact O-N 3.43Å
179	G	28.1	Very low	30	Very low	63 Å²	63	132.3 Å²	132.3	65%	0.649	75%	0.754	S	S	*	*			trans	-66	102.8	173.7	0	0	0	0	0	110.1	S177 Y181	S177-G179 PolarHBondContact O-N 3.3Å; S177-G179 VanDerWaalsContact O-N 3.09Å; G179-Y181 PolarHBondContact O-N 2.75Å
180	A	26.9	Very low	29.6	Very low	92 Å²	92	135.5 Å²	135.5	76%	0.76	78%	0.776	S	S	*	*			trans	-68.5	111.2	176.1	0	0	0	0	0	110	A178 E182	A178-A180 PolarHBondContact O-N 3.43Å; A180-E182 PolarHBondContact O-N 2.81Å
181	Y	28.1	Very low	29.6	Very low	226 Å²	226	133.8 Å²	133.8	89%	0.886	78%	0.775	S	S	*	*			trans	-87.6	94	164.2	-77.8	-91.4	0	0	0	108.3	G179 S183	G179-Y181 PolarHBondContact O-N 2.75Å; Y181-S183 PolarHBondContact O-N 3.1Å
182	E	26.4	Very low	29.8	Very low	182 Å²	182	134.3 Å²	134.3	85%	0.85	78%	0.776	S	S	*	*			trans	-65.7	125	171	-67.4	-177.5	127.4	0	0	110	A180	A180-E182 PolarHBondContact O-N 2.81Å
183	S	32.3	Very low	29.7	Very low	116 Å²	116	135.1 Å²	135.1	81%	0.811	78%	0.778	S	S	*	*			trans	-116.7	103.6	166.1	63.1	0	0	0	0	108.8	Y181 R185	Y181-S183 PolarHBondContact O-N 3.1Å; S183-R185 PolarHBondContact O-N 3.45Å
184	N	28.3	Very low	30.1	Very low	151 Å²	151	137.9 Å²	137.9	81%	0.807	78%	0.783	S	S	*	*			trans	-60.5	130.1	178.3	-79.1	-42.3	0	0	0	111.2
185	R	33.5	Very low	30.4	Very low	242 Å²	242	137.6 Å²	137.6	91%	0.913	78%	0.781	S	S	*	*			trans	-157.6	128	151.4	-109.9	171.6	-164.3	-173.4	4.8	110.5	S183	S183-R185 PolarHBondContact O-N 3.45Å
186	D	31.8	Very low	30.5	Very low	149 Å²	149	138.7 Å²	138.7	80%	0.797	78%	0.783	S	S	*	*			trans	-79.1	147.3	-169.4	-43.6	-101.7	0	0	0	113.4
187	K	36.9	Very low	30.8	Very low	193 Å²	193	140.4 Å²	140.4	84%	0.839	79%	0.789	S	S	*	*				-174.9	109.9	127.7	-102.6	162.1	-176.5	-177.2	0	114.6
188	Q	34	Very low	31	Very low	170 Å²	170	140.4 Å²	140.4	79%	0.794	79%	0.785	S	S	*	*			trans	35.6	120.6	131.6	-73.1	177	-29.4	0	0	121.5
189	T	31.3	Very low	31.2	Very low	121 Å²	121	144.8 Å²	144.8	74%	0.742	79%	0.79	S	S	*	*				68.8	126.6	128.4	-37.2	0	0	0	0	117.1
190	T	33.5	Very low	31.3	Very low	127 Å²	127	147.8 Å²	147.8	78%	0.779	80%	0.795	S	S	*	*				-164.5	166.6	58.7	-39.1	0	0	0	0	112.5
191	S	29.2	Very low	31.6	Very low	102 Å²	102	149.9 Å²	149.9	71%	0.713	80%	0.798	S	S	*	*			trans	-51.8	164.6	173.8	-42.6	0	0	0	0	115.2
192	T	34.2	Very low	31.6	Very low	128 Å²	128	147.9 Å²	147.9	79%	0.785	80%	0.797	S	S	*	*				-167.4	144	61.8	-56.7	0	0	0	0	115.5
193	T	28.5	Very low	31.9	Very low	117 Å²	117	144.8 Å²	144.8	72%	0.718	80%	0.796	S	S	*	*			trans	-12.3	136.5	161.2	-45.1	0	0	0	0	121.8
194	I	35.5	Very low	31.9	Very low	165 Å²	165	146.5 Å²	146.5	85%	0.846	80%	0.796	S	S	*	*			trans	178.6	148.9	137.2	-98.8	154.4	0	0	0	109.1
195	T	33.7	Very low	32.1	Very low	114 Å²	114	144.7 Å²	144.7	70%	0.699	80%	0.795	S	S	*	*			cis	-161.5	152.7	-32.1	-80.1	0	0	0	0	107.9
196	N	27.2	Very low	32.2	Very low	149 Å²	149	138.3 Å²	138.3	80%	0.797	79%	0.787	S	S	*	*			trans	-86	147.5	-178.2	-68.6	-27.1	0	0	0	114.8
197	T	32.9	Very low	32	Very low	135 Å²	135	140.6 Å²	140.6	83%	0.828	79%	0.786	S	S	*	*			trans	-139.3	127.3	149.5	-60.6	0	0	0	0	109.5
198	T	30.2	Very low	31.6	Very low	115 Å²	115	137.6 Å²	137.6	71%	0.706	79%	0.788	S	S	*	*			trans	-118.8	140.2	175.9	-50.9	0	0	0	0	109.5	T200	T198-T200 HydrophobicContact CG2-CG2 4.46Å
199	Q	33.6	Very low	31.3	Very low	184 Å²	184	136.8 Å²	136.8	86%	0.86	78%	0.784	S	S	*	*			trans	-131.5	119.2	163.9	-74.3	-168.6	-4.9	0	0	110.5
200	T	28.7	Very low	31.4	Very low	125 Å²	125	138.2 Å²	138.2	77%	0.767	79%	0.793	S	S	*	*			trans	-112.4	131.1	170.3	46.6	0	0	0	0	108.9	T198	T198-T200 HydrophobicContact CG2-CG2 4.46Å
201	V	33.9	Very low	31.2	Very low	136 Å²	136	143.9 Å²	143.9	82%	0.824	80%	0.8	S	S	*	*			trans	-123.2	123.1	168.7	179.4	0	0	0	0	108.2
202	Q	27.3	Very low	31.3	Very low	185 Å²	185	144.7 Å²	144.7	86%	0.864	81%	0.805	S	S	*	*			trans	-111.7	139.4	168.1	-74.7	-176.6	-30.3	0	0	109.2
203	S	34.4	Very low	31.2	Very low	117 Å²	117	148.7 Å²	148.7	82%	0.818	81%	0.812	S	S	*	*			trans	-149.9	147.3	157.1	52.4	0	0	0	0	109.1
204	N	30.8	Very low	31.3	Very low	152 Å²	152	149.4 Å²	149.4	81%	0.813	82%	0.816	S	S	*	*			trans	-108.8	166.1	-165.7	-74	-38.7	0	0	0	112.8
205	S	32.9	Very low	31.1	Very low	113 Å²	113	147.4 Å²	147.4	79%	0.79	81%	0.814	S	S	*	*			trans	75.4	151.6	164.1	-141.4	0	0	0	0	115
206	S	35.6	Very low	30.9	Very low	107 Å²	107	147.1 Å²	147.1	75%	0.748	82%	0.816	S	S	*	*			cis	-140.9	161.5	11.2	-57.2	0	0	0	0	113.8
207	Y	27.4	Very low	31.1	Very low	198 Å²	198	146.8 Å²	146.8	78%	0.776	82%	0.82	S	S	*	*			trans	-37.3	138.3	164.8	-126.7	-110.8	0	0	0	116.2	Q209	Y207-Q209 HydrophobicContact CE1-CG 4.45Å
208	C	28.8	Very low	30.9	Very low	130 Å²	130	145.9 Å²	145.9	88%	0.878	81%	0.814	S	S	*	*			trans	-164	137	130.9	-134.9	0	0	0	0	111.9
209	Q	28.3	Very low	31	Very low	153 Å²	153	146.1 Å²	146.1	72%	0.715	82%	0.817	S	S	*	*			trans	-107.4	131.7	179.8	-65.3	-178.8	1.6	0	0	111.7	Y207	Y207-Q209 HydrophobicContact CE1-CG 4.45Å
210	T	33.3	Very low	30.8	Very low	150 Å²	150	144 Å²	144	92%	0.92	81%	0.811	S	S	*	*			trans	-139.5	161.6	152.4	51.5	0	0	0	0	110.1
211	R	28.2	Very low	30.8	Very low	247 Å²	247	145.4 Å²	145.4	93%	0.932	81%	0.813	S	S	*	*			trans	-139.1	103.2	-151.1	-179.4	-168.7	-175.2	-158.7	6.6	112.9
212	S	33	Very low	30.6	Very low	118 Å²	118	147.1 Å²	147.1	83%	0.825	81%	0.809	S	S	*	*			trans	-141.1	99.7	174.6	39.9	0	0	0	0	113.3
213	K	31.1	Very low	30.6	Very low	213 Å²	213	144.8 Å²	144.8	93%	0.926	80%	0.803	S	S	*	*			trans	-20.3	128.6	171.2	-57.1	169.5	-179.2	176.9	0	117.2
214	T	30.6	Very low	30.4	Very low	131 Å²	131	147.2 Å²	147.2	80%	0.804	81%	0.806	S	S	*	*			trans	-124.6	143.8	150.3	51.2	0	0	0	0	109.7
215	P	32.1	Very low	30.4	Very low	124 Å²	124	144.8 Å²	144.8	81%	0.805	80%	0.801	S	S	*	*			trans	-85.1	122.9	175.3	31.8	-31.3	0	0	0	111
216	S	28.5	Very low	30.1	Very low	107 Å²	107	145.4 Å²	145.4	75%	0.748	80%	0.795	S	S	*	*			trans	-83.9	123.8	173.6	52.3	0	0	0	0	111.5
217	V	31.8	Very low	29.8	Very low	142 Å²	142	148 Å²	148	86%	0.861	79%	0.793	S	S	*	*			trans	-100.6	101.5	168.8	-179.4	0	0	0	0	108.6
218	T	28.6	Very low	30.2	Very low	116 Å²	116	144.7 Å²	144.7	71%	0.712	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-78.3	135.2	170.6	19.4	0	0	0	0	110.5
219	P	32.3	Very low	30.3	Very low	120 Å²	120	145.3 Å²	145.3	78%	0.779	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-69.2	137.5	165.4	30.2	-32.8	0	0	0	109.5	L221	P219-L221 PolarHBondContact O-N 2.97Å
220	I	30.2	Very low	30.5	Very low	140 Å²	140	146.1 Å²	146.1	72%	0.718	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-74.6	119	-178.1	-62.8	172.4	0	0	0	109.6	F222	I220-F222 HydrophobicContact CG2-CD2 3.84Å; I220-F222 HydrophobicContact CG2-CE2 3.86Å; I220-F222 PolarHBondContact O-N 3.44Å
221	L	28.3	Very low	30.5	Very low	154 Å²	154	146.3 Å²	146.3	81%	0.806	79%	0.785	S	S	*	*			trans	-85.4	104.7	170.1	-164.3	79.2	0	0	0	109.1	P219 N223	P219-L221 PolarHBondContact O-N 2.97Å; L221-N223 PolarHBondContact O-N 2.87Å
222	F	28.8	Very low	30.6	Very low	172 Å²	172	141 Å²	141	75%	0.754	78%	0.784	S	S	*	*			trans	-75.2	88.6	177.1	-96.5	-84	0	0	0	111.5	I220 L224	I220-F222 HydrophobicContact CG2-CD2 3.84Å; I220-F222 HydrophobicContact CG2-CE2 3.86Å; I220-F222 PolarHBondContact O-N 3.44Å; F222-L224 PolarHBondContact O-N 2.94Å
223	N	27.6	Very low	30.6	Very low	137 Å²	137	138.4 Å²	138.4	73%	0.733	78%	0.776	S	S	*	*			trans	-73.6	109.6	159.1	-96.8	-8.5	0	0	0	109.1	L221	L221-N223 PolarHBondContact O-N 2.87Å
224	L	30.5	Very low	30.4	Very low	167 Å²	167	134.6 Å²	134.6	87%	0.874	77%	0.771	S	S	*	*			trans	-101.7	92.5	166.6	-94.8	164.2	0	0	0	109	F222	F222-L224 PolarHBondContact O-N 2.94Å
225	S	30.2	Very low	30.5	Very low	102 Å²	102	136.2 Å²	136.2	71%	0.713	77%	0.773	S	S	*	*			trans	-114.9	121.4	178.8	58.3	0	0	0	0	112.1
226	D	27.1	Very low	30.5	Very low	126 Å²	126	135.3 Å²	135.3	67%	0.674	77%	0.765	S	S	*	*			trans	89.9	147.9	143.8	-148.2	0.5	0	0	0	120.1
227	K	29.5	Very low	30.7	Very low	162 Å²	162	139.5 Å²	139.5	70%	0.704	77%	0.77	S	S	*	*			trans	51.6	105.6	167.9	-72	130.8	-169.9	161	0	121.4
228	S	34.6	Very low	30.8	Very low	127 Å²	127	138.8 Å²	138.8	89%	0.888	77%	0.772	S	S	*	*				-134.5	161.9	124.1	72.2	0	0	0	0	110.1
229	Q	31.9	Very low	31	Very low	144 Å²	144	136.7 Å²	136.7	67%	0.673	77%	0.773	S	S	*	*			trans	-125.1	157.7	-167	-69.9	-171.7	-9.8	0	0	113.8
230	K	32.4	Very low	31.2	Very low	169 Å²	169	136.3 Å²	136.3	74%	0.735	77%	0.773	S	S	*	*			trans	66	126.4	155.7	-67.4	148.3	176.6	160	0	116
231	N	32.9	Very low	31.3	Very low	154 Å²	154	136.2 Å²	136.2	82%	0.824	77%	0.774	S	S	*	*				-169.5	153.2	71.8	-110.8	-20.8	0	0	0	114.2
232	C	31.2	Very low	31.7	Very low	135 Å²	135	136.1 Å²	136.1	91%	0.912	77%	0.774	S	S	*	*			trans	43.8	140.6	144.9	-128.7	0	0	0	0	121.8
233	G	33.5	Very low	32	Very low	64 Å²	64	133.7 Å²	133.7	66%	0.66	78%	0.779	S	S	*	*			cis	-170.9	-174.2	5.4	0	0	0	0	0	112.6
234	T	26.1	Very low	32.1	Very low	134 Å²	134	131.9 Å²	131.9	82%	0.822	78%	0.783	S	S	*	*			trans	-133.3	127.8	-157.9	-50.5	0	0	0	0	115.4	T236	T234-T236 HydrophobicContact CG2-CG2 4.48Å
235	I	33.4	Very low	32.2	Very low	165 Å²	165	132.4 Å²	132.4	85%	0.846	79%	0.785	S	S	*	*			trans	-154.1	145.8	164.7	-56.2	-178.4	0	0	0	107.1
236	T	32.3	Very low	32.4	Very low	104 Å²	104	130.7 Å²	130.7	64%	0.638	78%	0.783	S	S	*	*			cis	167.7	114.1	-49.5	37.8	0	0	0	0	108	T234	T234-T236 HydrophobicContact CG2-CG2 4.48Å
237	K	32.3	Very low	32.4	Very low	196 Å²	196	132.1 Å²	132.1	85%	0.852	79%	0.791	S	S	*	*			trans	76	143.2	148.6	-65.3	-176.4	172.4	-178.6	0	123.6
238	S	33.4	Very low	32.5	Very low	127 Å²	127	135.3 Å²	135.3	89%	0.888	80%	0.798	S	S	*	*			trans	65.8	139.7	156.2	44.7	0	0	0	0	120.1
239	G	33.4	Very low	32.4	Very low	71 Å²	71	136.9 Å²	136.9	73%	0.732	80%	0.797	S	S	*	*			cis	176	178.8	-5.5	0	0	0	0	0	115
240	S	36.3	Very low	32.4	Very low	112 Å²	112	136.7 Å²	136.7	78%	0.783	80%	0.8	S	S	*	*			trans	70.2	103.8	166.1	-60.8	0	0	0	0	121.6
241	N	32.6	Very low	32.2	Very low	139 Å²	139	134.6 Å²	134.6	74%	0.743	80%	0.802	S	S	*	*				46.6	118.2	125.5	-50	-5.6	0	0	0	121.2
242	N	34.9	Very low	32.2	Very low	152 Å²	152	133.4 Å²	133.4	81%	0.813	80%	0.8	S	S	*	*				-179.9	157.2	97.9	-96.7	-26.4	0	0	0	115.2
243	S	35.1	Very low	32.1	Very low	121 Å²	121	132.1 Å²	132.1	85%	0.846	79%	0.788	S	S	*	*			trans	63.8	135.1	160.1	-60.5	0	0	0	0	119.7
244	A	29.8	Very low	31.9	Very low	99 Å²	99	134.3 Å²	134.3	82%	0.818	79%	0.791	S	S	*	*			trans	-108.4	149.1	-178	0	0	0	0	0	112.8
245	I	34.4	Very low	32.2	Very low	178 Å²	178	134.3 Å²	134.3	91%	0.913	79%	0.785	S	S	*	*			trans	-146	142	152.6	-100.1	157.8	0	0	0	106.5
246	G	32.9	Very low	32.1	Very low	66 Å²	66	133.1 Å²	133.1	68%	0.68	78%	0.779	S	S	*	*			trans	-96.5	166.4	-156.4	0	0	0	0	0	117.9
247	N	27.9	Very low	31.9	Very low	156 Å²	156	133.5 Å²	133.5	83%	0.834	78%	0.783	S	S	*	*			trans	49.8	98.5	153.7	-67.8	-8.9	0	0	0	119.4
248	R	30.7	Very low	31.7	Very low	228 Å²	228	133.4 Å²	133.4	86%	0.86	78%	0.779	S	S	*	*				-159.6	111.8	119.9	-105	161.9	-165.1	175.8	5.3	110.4	N250	R248-N250 PolarHBondContact O-N 3.05Å
249	N	32.1	Very low	31.5	Very low	161 Å²	161	133.6 Å²	133.6	86%	0.861	77%	0.77	S	S	*	*			trans	-75.2	94.7	171.8	-72.3	-5.8	0	0	0	108.7	T251	N249-T251 PolarHBondContact O-N 3.33Å; N249-T251 VanDerWaalsContact O-N 3.13Å
250	N	32.8	Very low	31.4	Very low	139 Å²	139	135.7 Å²	135.7	74%	0.743	77%	0.769	S	S	*	*			trans	-70.8	104.3	172.1	-75.7	-13.7	0	0	0	109.3	R248 V252	R248-N250 PolarHBondContact O-N 3.05Å; N250-V252 PolarHBondContact O-N 3.09Å
251	T	29.2	Very low	31.4	Very low	125 Å²	125	135.6 Å²	135.6	77%	0.767	76%	0.763	S	S	*	*			trans	-63.8	102.9	169.8	-52.3	0	0	0	0	109.2	N249 T253	N249-T251 PolarHBondContact O-N 3.33Å; N249-T251 VanDerWaalsContact O-N 3.13Å; T251-T253 VanDerWaalsContact C-N 3.31Å; T251-T253 PolarHBondContact O-N 3.18Å
252	V	32.4	Very low	31.9	Very low	130 Å²	130	138.3 Å²	138.3	79%	0.788	76%	0.764	S	S	*	*			trans	-76.9	84.7	176.6	-176.3	0	0	0	0	108.9	N250 P254	N250-V252 PolarHBondContact O-N 3.09Å; V252-P254 WeakPolarHBondContact O-CD 3.42Å
253	T	29.2	Very low	32.5	Very low	108 Å²	108	139.9 Å²	139.9	66%	0.663	77%	0.767	S	S	*	*			trans	-59.7	125.3	169	-48.7	0	0	0	0	108.9	T251 L255	T251-T253 VanDerWaalsContact C-N 3.31Å; T251-T253 PolarHBondContact O-N 3.18Å; T253-L255 PolarHBondContact O-N 3.27Å
254	P	29.6	Very low	33.6	Very low	110 Å²	110	137.4 Å²	137.4	71%	0.714	74%	0.743	S	S	*	*			trans	-60	123.4	175.9	-22.9	33.7	0	0	0	110.2	V252 I256	V252-P254 WeakPolarHBondContact O-CD 3.42Å; P254-I256 PolarHBondContact O-N 3.16Å
255	L	32.1	Very low	35.4	Very low	134 Å²	134	136.8 Å²	136.8	70%	0.702	73%	0.726	S	S	*	*			trans	-66.3	108	170.9	-68.2	176.4	0	0	0	108.2	T253	T253-L255 PolarHBondContact O-N 3.27Å
256	I	30	Very low	37.1	Very low	139 Å²	139	130.6 Å²	130.6	71%	0.713	69%	0.693	S	S	*	*			trans	-55.2	125.7	172.1	-59.5	175.3	0	0	0	107.1	P254 Y258	P254-I256 PolarHBondContact O-N 3.16Å; I256-Y258 PolarHBondContact O-N 2.93Å
257	P	28.1	Very low	38.9	Very low	113 Å²	113	133.8 Å²	133.8	73%	0.734	69%	0.692	S	S	*	*			trans	-63.8	113.7	-173.2	23.7	-33.3	0	0	0	110.6	N259	P257-N259 PolarHBondContact O-N 3.24Å
258	Y	29.2	Very low	41.1	Very low	194 Å²	194	131.1 Å²	131.1	76%	0.761	67%	0.674	S	S	*	*			trans	-69.4	65	178.4	-52.3	-84	0	0	0	112	I256	I256-Y258 PolarHBondContact O-N 2.93Å
259	N	29.4	Very low	43.2	Very low	131 Å²	131	121.1 Å²	121.1	70%	0.701	64%	0.637	S	S	*	*			trans	-157	67.2	176.4	-101.7	-27.4	0	0	0	113.5	P257 V261	P257-N259 PolarHBondContact O-N 3.24Å; N259-V261 WeakPolarHBondContact OD1-CG2 3.16Å
260	T	30.1	Very low	45.8	Very low	115 Å²	115	115 Å²	115	71%	0.706	60%	0.603	S	S	*	*			trans	-100.8	74.2	138.1	42.8	0	0	0	0	108.7	Y262	T260-Y262 WeakPolarHBondContact O-CD2 3.37Å; T260-Y262 PolarHBondContact O-N 2.89Å
261	V	37.6	Very low	48.5	Very low	110 Å²	110	109.4 Å²	109.4	67%	0.667	58%	0.575	S	S	*	*			trans	-63.9	96.6	157.4	174.9	0	0	0	0	106	N259 Q263	N259-V261 WeakPolarHBondContact OD1-CG2 3.16Å; V261-Q263 PolarHBondContact O-N 3.2Å
262	Y	41.8	Very low	51.3	Low	195 Å²	195	104.1 Å²	104.1	77%	0.765	54%	0.542	S	S	*	.			trans	-54	111.1	165.3	-70.9	-88.1	0	0	0	107	T260 I264	T260-Y262 WeakPolarHBondContact O-CD2 3.37Å; T260-Y262 PolarHBondContact O-N 2.89Å; Y262-I264 PolarHBondContact O-N 3.21Å
263	Q	47.6	Very low	54.4	Low	186 Å²	186	98.1 Å²	98.1	87%	0.869	51%	0.505	S	S	*	.			trans	-62.6	104.5	169.6	-82.1	-170.5	-22.7	0	0	107.1	V261 D265	V261-Q263 PolarHBondContact O-N 3.2Å; Q263-D265 VanDerWaalsContact C-N 3.34Å; Q263-D265 PolarHBondContact O-N 2.89Å
264	I	57.6	Low	57.6	Low	68 Å²	68	93 Å²	93	35%	0.349	47%	0.474	S	S	.	.			trans	-70.9	97.9	172	-61.2	177.4	0	0	0	106	Y262 F266 M269 F470	Y262-I264 PolarHBondContact O-N 3.21Å; I264-F266 HydrophobicContact CB-CE1 3.92Å; I264-F266 HydrophobicContact CB-CZ 4.32Å; I264-F266 HydrophobicContact CG2-CD1 3.76Å; I264-F266 HydrophobicContact CG2-CE1 3.47Å; I264-F266 VanDerWaalsContact CG2-CE1 3.47Å; I264-F266 HydrophobicContact CG2-CZ 4.34Å; I264-F266 PolarHBondContact O-N 3.2Å; I264-M269 HydrophobicContact CG2-CB 4.36Å; I264-M269 HydrophobicContact CG2-CE 3.36Å; I264-M269 HydrophobicContact CG2-SD 3.52Å; I264-M269 VanDerWaalsContact CG2-SD 3.52Å; I264-F470 HydrophobicContact CD1-CZ 4.21Å
265	D	69.4	Low	60.9	Low	86 Å²	86	94.6 Å²	94.6	46%	0.46	47%	0.466	S	S	.	.			trans	-62.5	105.6	168.2	179.6	-16.4	0	0	0	108.1	Q263 M267 Q268 M269	Q263-D265 VanDerWaalsContact C-N 3.34Å; Q263-D265 PolarHBondContact O-N 2.89Å; D265-M267 VanDerWaalsContact C-N 3.3Å; D265-M267 PolarHBondContact O-N 2.94Å; D265-M267 WeakPolarHBondContact OD1-CA 3.46Å; D265-M267 WeakPolarHBondContact OD1-CB 3.44Å; D265-M267 PolarHBondContact OD1-N 3.45Å; D265-Q268 HydrophobicContact CB-CB 3.82Å; D265-Q268 PolarHBondContact O-N 3.35Å; D265-Q268 PolarHBondContact OD1-N 3.15Å; D265-M269 VanDerWaalsContact O-CB 3.25Å; D265-M269 WeakPolarHBondContact O-CB 3.44Å; D265-M269 PolarHBondContact O-N 3.24Å
266	F	69.1	Low	64	Low	48 Å²	48	88.3 Å²	88.3	21%	0.211	43%	0.433	C	S	.	.	H	α-helix	trans	-67.2	-31	-179.9	-65.9	-49.7	0	0	0	112.7	I264 M269 F270 F470 Y474	I264-F266 HydrophobicContact CB-CE1 3.92Å; I264-F266 HydrophobicContact CB-CZ 4.32Å; I264-F266 HydrophobicContact CG2-CD1 3.76Å; I264-F266 HydrophobicContact CG2-CE1 3.47Å; I264-F266 VanDerWaalsContact CG2-CE1 3.47Å; I264-F266 HydrophobicContact CG2-CZ 4.34Å; I264-F266 PolarHBondContact O-N 3.2Å; F266-M269 HydrophobicContact CD1-SD 4.25Å; F266-M269 HydrophobicContact CE1-SD 4.49Å; F266-F270 HydrophobicContact CB-CD2 4.15Å; F266-F270 HydrophobicContact CB-CE2 3.94Å; F266-F270 HydrophobicContact CD1-CE2 4.4Å; F266-F270 HydrophobicContact CG-CE2 4.45Å; F266-F270 WeakPolarHBondContact O-CB 3.5Å; F266-F270 WeakPolarHBondContact O-CD2 3.39Å; F266-F270 WeakPolarHBondContact O-CG 3.46Å; F266-F270 PolarHBondContact O-N 2.87Å; F266-F470 HydrophobicContact CD1-CE1 4.3Å; F266-F470 AromaticContact CE1-CE1 3.38Å; F266-F470 HydrophobicContact CE1-CE1 3.38Å; F266-F470 AromaticContact CE1-CZ 3.62Å; F266-F470 HydrophobicContact CE1-CZ 3.62Å; F266-F470 AromaticContact CZ-CE1 3.8Å; F266-F470 HydrophobicContact CZ-CE1 3.8Å; F266-F470 HydrophobicContact CZ-CZ 4.04Å; F266-Y474 HydrophobicContact CE2-CD2 4.05Å; F266-Y474 AromaticContact CE2-CE2 3.94Å; F266-Y474 HydrophobicContact CE2-CE2 3.94Å; F266-Y474 HydrophobicContact CZ-CD2 4.17Å; F266-Y474 AromaticContact CZ-CE2 3.98Å; F266-Y474 HydrophobicContact CZ-CE2 3.98Å
267	M	70	Confident	67.2	Low	134 Å²	134	83.4 Å²	83.4	66%	0.66	41%	0.408	S	S	*	.	H	α-helix	trans	-69.7	-41.1	175.4	-62.6	-62	99.7	0	0	110.4	D265 S271	D265-M267 VanDerWaalsContact C-N 3.3Å; D265-M267 PolarHBondContact O-N 2.94Å; D265-M267 WeakPolarHBondContact OD1-CA 3.46Å; D265-M267 WeakPolarHBondContact OD1-CB 3.44Å; D265-M267 PolarHBondContact OD1-N 3.45Å; M267-S271 VanDerWaalsContact O-CB 3.24Å; M267-S271 WeakPolarHBondContact O-CB 3.36Å; M267-S271 PolarHBondContact O-N 3.11Å; M267-S271 PolarHBondContact O-OG 3.41Å
268	Q	74.4	Confident	70.4	Confident	100 Å²	100	83.7 Å²	83.7	47%	0.467	40%	0.404	S	S	.	.	H	α-helix	trans	-65.9	-47.5	173.1	-155.4	-172	48.8	0	0	111.6	D265 F270 S271 Q272	D265-Q268 HydrophobicContact CB-CB 3.82Å; D265-Q268 PolarHBondContact O-N 3.35Å; D265-Q268 PolarHBondContact OD1-N 3.15Å; Q268-F270 PolarHBondContact O-N 2.89Å; Q268-S271 WeakPolarHBondContact CA-OG 3.02Å; Q268-S271 PolarHBondContact O-N 3.23Å; Q268-S271 PolarHBondContact O-OG 2.93Å; Q268-S271 VanDerWaalsContact O-OG 3.06Å; Q268-Q272 VanDerWaalsContact O-CG 3.24Å; Q268-Q272 WeakPolarHBondContact O-CG 3.2Å; Q268-Q272 PolarHBondContact O-N 3.38Å; Q268-Q272 VanDerWaalsContact O-N 3.1Å
269	M	76.3	Confident	73.7	Confident	18 Å²	18	75.3 Å²	75.3	9%	0.089	37%	0.371	C	S	.	.	H	α-helix	trans	-61.6	-38.4	179.3	170.9	174.5	-87.3	0	0	113.4	I264 D265 F266 R392 C394	I264-M269 HydrophobicContact CG2-CB 4.36Å; I264-M269 HydrophobicContact CG2-CE 3.36Å; I264-M269 HydrophobicContact CG2-SD 3.52Å; I264-M269 VanDerWaalsContact CG2-SD 3.52Å; D265-M269 VanDerWaalsContact O-CB 3.25Å; D265-M269 WeakPolarHBondContact O-CB 3.44Å; D265-M269 PolarHBondContact O-N 3.24Å; F266-M269 HydrophobicContact CD1-SD 4.25Å; F266-M269 HydrophobicContact CE1-SD 4.49Å; M269-R392 PolarHBondContact O-NH1 2.67Å; M269-R392 PolarHBondContact O-NH2 3.07Å; M269-C394 HydrophobicContact CE-CB 3.7Å; M269-C394 HydrophobicContact CG-CB 4.45Å; M269-C394 HydrophobicContact SD-CB 3.4Å; M269-C394 WeakPolarHBondContact SD-CB 3.09Å
270	F	86.2	Confident	77	Confident	31 Å²	31	69.1 Å²	69.1	14%	0.136	34%	0.338	C	S	.	.	H	α-helix	trans	-81.4	-25.8	176.4	-63.8	-47.3	0	0	0	112.6	F266 Q268 S284 A360 V362	F266-F270 HydrophobicContact CB-CD2 4.15Å; F266-F270 HydrophobicContact CB-CE2 3.94Å; F266-F270 HydrophobicContact CD1-CE2 4.4Å; F266-F270 HydrophobicContact CG-CE2 4.45Å; F266-F270 WeakPolarHBondContact O-CB 3.5Å; F266-F270 WeakPolarHBondContact O-CD2 3.39Å; F266-F270 WeakPolarHBondContact O-CG 3.46Å; F266-F270 PolarHBondContact O-N 2.87Å; Q268-F270 PolarHBondContact O-N 2.89Å; F270-S284 WeakPolarHBondContact O-CB 3.48Å; F270-S284 PolarHBondContact O-OG 2.84Å; F270-A360 HydrophobicContact CD1-CB 4.32Å; F270-A360 VanDerWaalsContact CD1-O 3.29Å; F270-A360 WeakPolarHBondContact CD1-O 3.33Å; F270-A360 HydrophobicContact CE1-CB 3.9Å; F270-V362 HydrophobicContact CE1-CG2 4.01Å
271	S	88.1	Confident	80.3	Confident	23 Å²	23	64 Å²	64	16%	0.161	31%	0.306	C	S	.	.	H	α-helix	trans	-80.5	-8.1	173.3	60.4	0	0	0	0	114.6	M267 Q268 A287 R292	M267-S271 VanDerWaalsContact O-CB 3.24Å; M267-S271 WeakPolarHBondContact O-CB 3.36Å; M267-S271 PolarHBondContact O-N 3.11Å; M267-S271 PolarHBondContact O-OG 3.41Å; Q268-S271 WeakPolarHBondContact CA-OG 3.02Å; Q268-S271 PolarHBondContact O-N 3.23Å; Q268-S271 PolarHBondContact O-OG 2.93Å; Q268-S271 VanDerWaalsContact O-OG 3.06Å; S271-A287 WeakPolarHBondContact O-CB 3.31Å; S271-R292 VanDerWaalsContact O-CZ 3.31Å; S271-R292 PolarHBondContact O-NH1 2.9Å; S271-R292 PolarHBondContact O-NH2 2.98Å
272	Q	89.7	Confident	83.2	Confident	14 Å²	14	58.8 Å²	58.8	7%	0.065	27%	0.274	C	S	.	.			trans	-79.2	144.6	177.2	-78.3	160.7	5.4	0	0	114.5	Q268 A287	Q268-Q272 VanDerWaalsContact O-CG 3.24Å; Q268-Q272 WeakPolarHBondContact O-CG 3.2Å; Q268-Q272 PolarHBondContact O-N 3.38Å; Q268-Q272 VanDerWaalsContact O-N 3.1Å; Q272-A287 WeakPolarHBondContact O-CB 3.21Å
273	I	96.6	Very high	85.8	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	111.9	162.9	-57.5	178.1	0	0	0	107.7	F281 A287 R292 L355	I273-F281 HydrophobicContact CG2-CB 4.01Å; I273-F281 HydrophobicContact CG2-CD1 3.99Å; I273-F281 HydrophobicContact CG2-CG 4.45Å; I273-A287 HydrophobicContact CG1-CB 3.78Å; I273-R292 HydrophobicContact CD1-CB 3.95Å; I273-L355 HydrophobicContact CD1-CD1 4.01Å; I273-L355 HydrophobicContact CG1-CD1 4.42Å; I273-L355 HydrophobicContact CG2-CD1 3.71Å
274	A	96.7	Very high	88.1	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.6	-179.3	0	0	0	0	0	110.8	L169 I276 F281 L282 I391 R392	L169-A274 HydrophobicContact CD1-CB 4.12Å; A274-I276 HydrophobicContact CB-CD1 4.32Å; A274-I276 PolarHBondContact O-N 2.94Å; A274-F281 CarbonylContact O-C 3.57Å; A274-F281 WeakPolarHBondContact O-CA 3.49Å; A274-L282 HydrophobicContact CB-CB 4.43Å; A274-L282 PolarHBondContact N-O 3.35Å; A274-L282 PolarHBondContact O-N 3.06Å; A274-I391 HydrophobicContact CB-CG2 4.18Å; A274-R392 HydrophobicContact CB-CB 4.09Å; A274-R392 HydrophobicContact CB-CG 4.5Å
275	R	98	Very high	89.8	Confident	142 Å²	142	39.5 Å²	39.5	54%	0.536	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	111.1	173	177.8	177.3	166.4	-168.3	-7.7	109.8	N277 N278 F281	R275-N277 WeakPolarHBondContact CD-O 3.31Å; R275-N277 WeakPolarHBondContact CG-O 3.22Å; R275-N277 PolarHBondContact NE-O 3.41Å; R275-N278 PolarHBondContact NH2-OD1 2.88Å; R275-F281 HydrophobicContact CB-CD1 3.83Å; R275-F281 HydrophobicContact CB-CE1 3.65Å; R275-F281 HydrophobicContact CB-CZ 4.4Å; R275-F281 HydrophobicContact CG-CD1 4.22Å; R275-F281 HydrophobicContact CG-CE1 3.73Å; R275-F281 HydrophobicContact CG-CZ 3.97Å
276	I	98.3	Very high	90.9	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.015	20%	0.198	C	C	.	.			trans	-83.5	-33.9	-176.2	-56.4	-52	0	0	0	112.2	A274 L280 L282 I369 L373 H387 V388 I391	A274-I276 HydrophobicContact CB-CD1 4.32Å; A274-I276 PolarHBondContact O-N 2.94Å; I276-L280 HydrophobicContact CB-CB 4.49Å; I276-L280 HydrophobicContact CB-CG 4.41Å; I276-L280 PolarHBondContact N-O 2.73Å; I276-L282 HydrophobicContact CD1-CB 3.98Å; I276-L282 HydrophobicContact CD1-CD2 4.33Å; I276-L282 HydrophobicContact CG1-CB 3.9Å; I276-I369 HydrophobicContact CG1-CD1 4.14Å; I276-I369 HydrophobicContact CG2-CG2 4.19Å; I276-L373 HydrophobicContact CG2-CD1 4.4Å; I276-H387 PolarHBondContact O-NE2 2.77Å; I276-V388 HydrophobicContact CD1-CG1 4.06Å; I276-V388 HydrophobicContact CG2-CG2 3.97Å; I276-I391 HydrophobicContact CD1-CB 4.31Å; I276-I391 HydrophobicContact CD1-CD1 4.48Å; I276-I391 HydrophobicContact CD1-CG2 4.06Å; I276-I391 WeakPolarHBondContact O-CD1 3.42Å
277	N	96.3	Very high	92	Very high	36 Å²	36	38.6 Å²	38.6	19%	0.193	19%	0.188	C	C	.	.	S	Bend	trans	-154.8	-150	172.7	62.1	29.3	0	0	0	109.9	R275 H279 L280	R275-N277 WeakPolarHBondContact CD-O 3.31Å; R275-N277 WeakPolarHBondContact CG-O 3.22Å; R275-N277 PolarHBondContact NE-O 3.41Å; N277-H279 PolarHBondContact ND2-CE1 2.83Å; N277-H279 VanDerWaalsContact ND2-CE1 3.35Å; N277-H279 PolarHBondContact OD1-CE1 3.41Å; N277-H279 PolarHBondContact OD1-N 2.73Å; N277-H279 PolarHBondContact OD1-ND1 2.97Å; N277-H279 VanDerWaalsContact OD1-ND1 3.14Å; N277-L280 PolarHBondContact N-O 2.9Å; N277-L280 VanDerWaalsContact OD1-CB 3.22Å; N277-L280 WeakPolarHBondContact OD1-CB 3.41Å; N277-L280 PolarHBondContact OD1-N 2.56Å
278	N	96.6	Very high	93.2	Very high	119 Å²	119	32.8 Å²	32.8	64%	0.636	16%	0.16	S	C	*	.	S	Bend	trans	-74.1	-27	-178.8	-69.7	-18.4	0	0	0	114.3	R275	R275-N278 PolarHBondContact NH2-OD1 2.88Å
279	H	98.2	Very high	94.2	Very high	18 Å²	18	30.7 Å²	30.7	8%	0.083	15%	0.154	C	C	.	.	S	Bend	trans	-125.9	-9.2	-170.9	59.8	-80.6	0	0	0	114.2	N277 N348 K353 T354 Y372	N277-H279 PolarHBondContact ND2-CE1 2.83Å; N277-H279 VanDerWaalsContact ND2-CE1 3.35Å; N277-H279 PolarHBondContact OD1-CE1 3.41Å; N277-H279 PolarHBondContact OD1-N 2.73Å; N277-H279 PolarHBondContact OD1-ND1 2.97Å; N277-H279 VanDerWaalsContact OD1-ND1 3.14Å; H279-N348 HydrophobicContact CB-CB 4.41Å; H279-N348 WeakPolarHBondContact CB-OD1 3.46Å; H279-N348 PolarHBondContact CE1-ND2 3.15Å; H279-N348 VanDerWaalsContact CG-CG 3.44Å; H279-N348 VanDerWaalsContact CG-OD1 3.22Å; H279-N348 PolarHBondContact ND1-OD1 2.94Å; H279-K353 CarbonylContact O-C 3.51Å; H279-K353 WeakPolarHBondContact O-CA 3.44Å; H279-T354 PolarHBondContact O-N 3.39Å; H279-Y372 AromaticContact NE2-CE1 3.87Å; H279-Y372 AromaticContact NE2-CZ 3.65Å; H279-Y372 PolarHBondContact NE2-OH 3.12Å
280	L	98.7	Very high	95.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.9	-174.2	-173.1	60.5	0	0	0	112.5	I276 N277 I344 T354 I356 I369 Y372	I276-L280 HydrophobicContact CB-CB 4.49Å; I276-L280 HydrophobicContact CB-CG 4.41Å; I276-L280 PolarHBondContact N-O 2.73Å; N277-L280 PolarHBondContact N-O 2.9Å; N277-L280 VanDerWaalsContact OD1-CB 3.22Å; N277-L280 WeakPolarHBondContact OD1-CB 3.41Å; N277-L280 PolarHBondContact OD1-N 2.56Å; L280-I344 HydrophobicContact CD1-CG2 4.18Å; L280-T354 WeakPolarHBondContact CA-O 3.25Å; L280-T354 HydrophobicContact CD1-CG2 4.41Å; L280-I356 HydrophobicContact CD1-CD1 3.88Å; L280-I356 HydrophobicContact CD1-CG1 3.91Å; L280-I369 HydrophobicContact CD1-CD1 4.43Å; L280-I369 HydrophobicContact CD1-CG1 4.38Å; L280-I369 HydrophobicContact CD2-CB 4.47Å; L280-I369 HydrophobicContact CD2-CD1 4.37Å; L280-I369 HydrophobicContact CD2-CG1 4.1Å; L280-I369 HydrophobicContact CD2-CG2 3.9Å; L280-I369 HydrophobicContact CG-CD1 4.25Å; L280-I369 HydrophobicContact CG-CG1 4.39Å; L280-Y372 HydrophobicContact CD2-CD1 3.5Å; L280-Y372 VanDerWaalsContact CD2-CD1 3.5Å; L280-Y372 HydrophobicContact CD2-CE1 3.82Å; L280-Y372 HydrophobicContact CD2-CG 4.48Å
281	F	98.7	Very high	95.7	Very high	9 Å²	9	34.6 Å²	34.6	4%	0.039	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.2	-177.8	-62.6	-104.8	0	0	0	111	I273 A274 R275 H296 I298 K353 T354 L355 I356	I273-F281 HydrophobicContact CG2-CB 4.01Å; I273-F281 HydrophobicContact CG2-CD1 3.99Å; I273-F281 HydrophobicContact CG2-CG 4.45Å; A274-F281 CarbonylContact O-C 3.57Å; A274-F281 WeakPolarHBondContact O-CA 3.49Å; R275-F281 HydrophobicContact CB-CD1 3.83Å; R275-F281 HydrophobicContact CB-CE1 3.65Å; R275-F281 HydrophobicContact CB-CZ 4.4Å; R275-F281 HydrophobicContact CG-CD1 4.22Å; R275-F281 HydrophobicContact CG-CE1 3.73Å; R275-F281 HydrophobicContact CG-CZ 3.97Å; F281-H296 HydrophobicContact CE1-CB 4.09Å; F281-H296 HydrophobicContact CZ-CB 4.27Å; F281-I298 HydrophobicContact CD2-CD1 3.62Å; F281-I298 HydrophobicContact CE2-CD1 3.97Å; F281-I298 HydrophobicContact CG-CD1 4.05Å; F281-K353 HydrophobicContact CE2-CB 4.28Å; F281-K353 HydrophobicContact CE2-CD 4.11Å; F281-K353 HydrophobicContact CE2-CG 4.47Å; F281-T354 PolarHBondContact N-O 3.08Å; F281-L355 HydrophobicContact CB-CB 4.21Å; F281-L355 HydrophobicContact CB-CD1 4.35Å; F281-L355 HydrophobicContact CB-CG 4.24Å; F281-I356 PolarHBondContact O-N 3.48Å
282	L	98.4	Very high	96.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.3	-178.3	176	55.4	0	0	0	110.5	A274 I276 I356 S365 I369 V388 R392 I395	A274-L282 HydrophobicContact CB-CB 4.43Å; A274-L282 PolarHBondContact N-O 3.35Å; A274-L282 PolarHBondContact O-N 3.06Å; I276-L282 HydrophobicContact CD1-CB 3.98Å; I276-L282 HydrophobicContact CD1-CD2 4.33Å; I276-L282 HydrophobicContact CG1-CB 3.9Å; L282-I356 WeakPolarHBondContact CA-O 3.04Å; L282-S365 VanDerWaalsContact CD1-OG 3.28Å; L282-S365 WeakPolarHBondContact CD1-OG 3.36Å; L282-I369 HydrophobicContact CB-CD1 3.61Å; L282-I369 HydrophobicContact CD1-CD1 3.9Å; L282-I369 HydrophobicContact CD2-CD1 4.2Å; L282-I369 HydrophobicContact CG-CD1 4.09Å; L282-V388 HydrophobicContact CD2-CG1 3.92Å; L282-R392 HydrophobicContact CD2-CB 4.46Å; L282-I395 HydrophobicContact CD2-CG2 3.79Å
283	S	97.3	Very high	96.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	171.4	176.5	75.5	0	0	0	0	114.6	I288 I356 H357 G361	S283-I288 WeakPolarHBondContact OG-CG1 3.37Å; S283-I356 PolarHBondContact N-O 2.97Å; S283-I356 VanDerWaalsContact N-O 3.16Å; S283-H357 WeakPolarHBondContact O-CA 3.21Å; S283-H357 WeakPolarHBondContact O-CB 3.29Å; S283-G361 WeakPolarHBondContact O-CA 3.46Å
284	S	95	Very high	96.5	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	20%	0.198	C	C	.	.			trans	-76.9	173.9	157.5	91.4	0	0	0	0	110.4	F270 N286 A287 I288 C358 M359 A360	F270-S284 WeakPolarHBondContact O-CB 3.48Å; F270-S284 PolarHBondContact O-OG 2.84Å; S284-N286 PolarHBondContact OG-N 3.41Å; S284-A287 PolarHBondContact OG-N 3.5Å; S284-I288 WeakPolarHBondContact O-CG1 3.16Å; S284-C358 CarbonylContact C-O 3.2Å; S284-M359 VanDerWaalsContact CB-O 3.31Å; S284-M359 WeakPolarHBondContact CB-O 3.44Å; S284-A360 VanDerWaalsContact CB-C 3.45Å; S284-A360 WeakPolarHBondContact CB-O 3.22Å
285	L	93.7	Very high	96.5	Very high	43 Å²	43	46.9 Å²	46.9	23%	0.225	23%	0.225	C	C	.	.	S	Bend	trans	-66.4	-41.6	168.7	-178.9	62.6	0	0	0	111.6	A287 I288 M305 C358 M359	L285-A287 PolarHBondContact O-N 2.92Å; L285-A287 VanDerWaalsContact O-N 3.1Å; L285-I288 PolarHBondContact O-N 3.44Å; L285-M305 HydrophobicContact CB-SD 4.32Å; L285-M305 HydrophobicContact CD1-CE 4.12Å; L285-M305 HydrophobicContact CD1-SD 4.34Å; L285-M305 HydrophobicContact CD2-CE 4.1Å; L285-M305 HydrophobicContact CD2-SD 4.09Å; L285-M305 HydrophobicContact CG-SD 4.49Å; L285-C358 PolarHBondContact N-O 2.88Å; L285-M359 HydrophobicContact CD2-SD 4.29Å; L285-M359 PolarHBondContact N-O 3.16Å
286	N	92.1	Very high	96.4	Very high	114 Å²	114	41.3 Å²	41.3	61%	0.61	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.6	-176.6	-64.2	7	0	0	0	113.8	S284	S284-N286 PolarHBondContact OG-N 3.41Å
287	A	93.7	Very high	96.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-18.3	175.6	0	0	0	0	0	113.4	S271 Q272 I273 S284 L285 R292	S271-A287 WeakPolarHBondContact O-CB 3.31Å; Q272-A287 WeakPolarHBondContact O-CB 3.21Å; I273-A287 HydrophobicContact CG1-CB 3.78Å; S284-A287 PolarHBondContact OG-N 3.5Å; L285-A287 PolarHBondContact O-N 2.92Å; L285-A287 VanDerWaalsContact O-N 3.1Å; A287-R292 PolarHBondContact O-NH1 3.37Å
288	I	94.9	Very high	96.5	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.067	21%	0.214	C	C	.	.			trans	-94.5	113.6	-164	-48.2	174.3	0	0	0	110.6	S283 S284 L285 L293 L301 I313 L355 H357	S283-I288 WeakPolarHBondContact OG-CG1 3.37Å; S284-I288 WeakPolarHBondContact O-CG1 3.16Å; L285-I288 PolarHBondContact O-N 3.44Å; I288-L293 HydrophobicContact CG2-CD1 3.6Å; I288-L293 HydrophobicContact CG2-CD2 3.96Å; I288-L293 HydrophobicContact CG2-CG 3.75Å; I288-L301 HydrophobicContact CD1-CD1 4.47Å; I288-I313 HydrophobicContact CG2-CD1 4.19Å; I288-I313 HydrophobicContact CG2-CG2 3.8Å; I288-I313 WeakPolarHBondContact O-CD1 3.49Å; I288-L355 HydrophobicContact CD1-CD2 3.72Å; I288-L355 HydrophobicContact CG1-CD2 4.23Å; I288-H357 HydrophobicContact CD1-CB 3.61Å
289	T	95.5	Very high	96.6	Very high	56 Å²	56	37.2 Å²	37.2	34%	0.344	19%	0.192	S	C	.	.			trans	-119.2	157.4	166.4	68	0	0	0	0	109.7	D291 R292 L293	T289-D291 PolarHBondContact O-N 3.47Å; T289-D291 VanDerWaalsContact O-N 3.17Å; T289-R292 PolarHBondContact O-N 3.28Å; T289-R292 WeakPolarHBondContact OG1-CG 3.48Å; T289-R292 PolarHBondContact OG1-N 3.29Å; T289-L293 WeakPolarHBondContact O-CG 3.34Å; T289-L293 PolarHBondContact O-N 3.42Å; T289-L293 VanDerWaalsContact O-N 3.08Å
290	P	96.4	Very high	96.6	Very high	26 Å²	26	36.4 Å²	36.4	17%	0.169	19%	0.188	C	C	.	.	H	α-helix	trans	-52.9	-35.5	174.2	-28	37.5	0	0	0	112.9	R294 I313 A316	P290-R294 WeakPolarHBondContact O-CG 3.37Å; P290-R294 PolarHBondContact O-N 2.99Å; P290-R294 VanDerWaalsContact O-N 3.12Å; P290-I313 HydrophobicContact CG-CD1 4.25Å; P290-A316 HydrophobicContact CB-CB 3.79Å; P290-A316 HydrophobicContact CG-CB 4.44Å
291	D	96.7	Very high	96.6	Very high	104 Å²	104	36.4 Å²	36.4	56%	0.556	19%	0.188	S	C	*	.	H	α-helix	trans	-80.1	-34.5	-174.7	-51.1	-52.3	0	0	0	112.3	T289 L293 R294 Q295	T289-D291 PolarHBondContact O-N 3.47Å; T289-D291 VanDerWaalsContact O-N 3.17Å; D291-L293 VanDerWaalsContact C-N 3.35Å; D291-R294 WeakPolarHBondContact O-CB 3.38Å; D291-R294 PolarHBondContact O-N 2.99Å; D291-R294 IonicContact OD1-NE 3.71Å; D291-Q295 VanDerWaalsContact O-CB 3.26Å; D291-Q295 WeakPolarHBondContact O-CB 3.29Å; D291-Q295 PolarHBondContact O-N 2.72Å
292	R	96.7	Very high	96.6	Very high	28 Å²	28	36 Å²	36	11%	0.106	19%	0.187	C	C	.	.	H	α-helix	trans	-70.2	-32.2	171.5	-70.2	176.9	79.7	-171.2	15.9	112.4	D167 S271 I273 A287 T289 Q295 H296	D167-R292 IonicContact OD1-CZ 3.34Å; D167-R292 IonicContact OD1-NE 3.99Å; D167-R292 IonicContact OD1-NH2 2.69Å; D167-R292 PolarHBondContact OD1-NH2 3.42Å; S271-R292 VanDerWaalsContact O-CZ 3.31Å; S271-R292 PolarHBondContact O-NH1 2.9Å; S271-R292 PolarHBondContact O-NH2 2.98Å; I273-R292 HydrophobicContact CD1-CB 3.95Å; A287-R292 PolarHBondContact O-NH1 3.37Å; T289-R292 PolarHBondContact O-N 3.28Å; T289-R292 WeakPolarHBondContact OG1-CG 3.48Å; T289-R292 PolarHBondContact OG1-N 3.29Å; R292-Q295 PolarHBondContact O-N 3.39Å; R292-H296 PolarHBondContact O-CD2 3.2Å; R292-H296 VanDerWaalsContact O-CD2 3.29Å; R292-H296 PolarHBondContact O-N 3.44Å
293	L	97.6	Very high	96.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-44.1	169.6	-71.4	168.1	0	0	0	111.3	I288 T289 D291 G297 I298 L301 I313 A316 V317 L355	I288-L293 HydrophobicContact CG2-CD1 3.6Å; I288-L293 HydrophobicContact CG2-CD2 3.96Å; I288-L293 HydrophobicContact CG2-CG 3.75Å; T289-L293 WeakPolarHBondContact O-CG 3.34Å; T289-L293 PolarHBondContact O-N 3.42Å; T289-L293 VanDerWaalsContact O-N 3.08Å; D291-L293 VanDerWaalsContact C-N 3.35Å; L293-G297 PolarHBondContact O-N 3.27Å; L293-G297 VanDerWaalsContact O-N 3.17Å; L293-I298 HydrophobicContact CB-CB 4.49Å; L293-I298 HydrophobicContact CD2-CB 3.87Å; L293-I298 HydrophobicContact CD2-CG1 3.91Å; L293-I298 HydrophobicContact CD2-CG2 3.93Å; L293-I298 PolarHBondContact O-N 3.15Å; L293-L301 HydrophobicContact CD2-CD1 4.48Å; L293-I313 HydrophobicContact CD1-CG2 3.91Å; L293-A316 HydrophobicContact CD1-CB 3.95Å; L293-V317 HydrophobicContact CB-CG1 4.39Å; L293-V317 HydrophobicContact CD1-CG1 4.13Å; L293-V317 HydrophobicContact CD2-CG1 4.15Å; L293-V317 HydrophobicContact CG-CG1 4.47Å; L293-L355 HydrophobicContact CD2-CD1 4.13Å
294	R	96.5	Very high	96.6	Very high	152 Å²	152	36 Å²	36	57%	0.574	19%	0.187	S	C	*	.	H	α-helix	trans	-64.7	-46.6	172.6	-68.6	178.7	-125.9	-77.7	7.9	112.4	P290 D291 H296 G297	P290-R294 WeakPolarHBondContact O-CG 3.37Å; P290-R294 PolarHBondContact O-N 2.99Å; P290-R294 VanDerWaalsContact O-N 3.12Å; D291-R294 WeakPolarHBondContact O-CB 3.38Å; D291-R294 PolarHBondContact O-N 2.99Å; D291-R294 IonicContact OD1-NE 3.71Å; R294-H296 VanDerWaalsContact C-N 3.34Å; R294-H296 PolarHBondContact O-N 3.29Å; R294-G297 WeakPolarHBondContact O-CA 3.26Å; R294-G297 PolarHBondContact O-N 3.47Å
295	Q	96.8	Very high	96.7	Very high	120 Å²	120	36.7 Å²	36.7	56%	0.561	19%	0.19	S	C	*	.	H	α-helix	trans	-57.6	-41.8	-178	-175.8	-162.7	-26.7	0	0	112.6	D167 D291 R292	D167-Q295 PolarHBondContact OD2-NE2 3.45Å; D291-Q295 VanDerWaalsContact O-CB 3.26Å; D291-Q295 WeakPolarHBondContact O-CB 3.29Å; D291-Q295 PolarHBondContact O-N 2.72Å; R292-Q295 PolarHBondContact O-N 3.39Å
296	H	97.1	Very high	96.8	Very high	26 Å²	26	38.9 Å²	38.9	12%	0.12	20%	0.201	C	C	.	.	H	α-helix	trans	-81.3	-16.3	174.5	-62	-42.5	0	0	0	113.2	D167 F281 R292 R294 I298 K353	D167-H296 IonicContact OD2-CE1 3.5Å; F281-H296 HydrophobicContact CE1-CB 4.09Å; F281-H296 HydrophobicContact CZ-CB 4.27Å; R292-H296 PolarHBondContact O-CD2 3.2Å; R292-H296 VanDerWaalsContact O-CD2 3.29Å; R292-H296 PolarHBondContact O-N 3.44Å; R294-H296 VanDerWaalsContact C-N 3.34Å; R294-H296 PolarHBondContact O-N 3.29Å; H296-I298 HydrophobicContact CB-CD1 3.91Å; H296-I298 HydrophobicContact CB-CG1 4.04Å; H296-K353 WeakPolarHBondContact O-CD 3.18Å; H296-K353 PolarHBondContact O-NZ 2.93Å
297	G	97.7	Very high	96.9	Very high	33 Å²	33	39 Å²	39	34%	0.34	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	38.2	-178.4	0	0	0	0	0	113.4	L293 R294 T299	L293-G297 PolarHBondContact O-N 3.27Å; L293-G297 VanDerWaalsContact O-N 3.17Å; R294-G297 WeakPolarHBondContact O-CA 3.26Å; R294-G297 PolarHBondContact O-N 3.47Å; G297-T299 PolarHBondContact O-N 3.18Å
298	I	98.4	Very high	96.8	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.051	22%	0.219	C	C	.	.			trans	-72	122.7	-176.4	-55.3	-52.9	0	0	0	110.7	F281 L293 H296 L300 V317 K353 L355	F281-I298 HydrophobicContact CD2-CD1 3.62Å; F281-I298 HydrophobicContact CE2-CD1 3.97Å; F281-I298 HydrophobicContact CG-CD1 4.05Å; L293-I298 HydrophobicContact CB-CB 4.49Å; L293-I298 HydrophobicContact CD2-CB 3.87Å; L293-I298 HydrophobicContact CD2-CG1 3.91Å; L293-I298 HydrophobicContact CD2-CG2 3.93Å; L293-I298 PolarHBondContact O-N 3.15Å; H296-I298 HydrophobicContact CB-CD1 3.91Å; H296-I298 HydrophobicContact CB-CG1 4.04Å; I298-L300 WeakPolarHBondContact CG2-O 3.49Å; I298-V317 HydrophobicContact CB-CG1 4.34Å; I298-V317 HydrophobicContact CG2-CG1 3.96Å; I298-K353 HydrophobicContact CD1-CB 4.07Å; I298-L355 HydrophobicContact CD1-CB 4.05Å; I298-L355 HydrophobicContact CG1-CB 4.07Å; I298-L355 HydrophobicContact CG1-CD1 4.48Å; I298-L355 HydrophobicContact CG2-CB 3.83Å
299	T	98.4	Very high	96.5	Very high	29 Å²	29	40.9 Å²	40.9	18%	0.178	22%	0.215	C	C	.	.			trans	-101	-24.3	177	55.8	0	0	0	0	112.4	G297 M318 N319 E347 G352 K353	G297-T299 PolarHBondContact O-N 3.18Å; T299-M318 HydrophobicContact CG2-SD 4.19Å; T299-M318 PolarHBondContact O-N 2.58Å; T299-N319 PolarHBondContact O-N 3.28Å; T299-E347 WeakPolarHBondContact CB-OE1 3.45Å; T299-E347 PolarHBondContact OG1-OE1 3.44Å; T299-G352 WeakPolarHBondContact OG1-CA 3.34Å; T299-K353 PolarHBondContact N-O 3.25Å; T299-K353 PolarHBondContact OG1-N 3.28Å; T299-K353 PolarHBondContact OG1-O 2.92Å
300	L	98.6	Very high	96.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.4	177.2	176.8	62.6	0	0	0	112	I298 V302 N319 V321 R343 E347 K353 T354 L355	I298-L300 WeakPolarHBondContact CG2-O 3.49Å; L300-V302 HydrophobicContact CD2-CG2 4.23Å; L300-V302 HydrophobicContact CG-CG2 4.15Å; L300-N319 WeakPolarHBondContact CA-O 3.46Å; L300-N319 HydrophobicContact CD1-CB 3.71Å; L300-V321 HydrophobicContact CD1-CG2 4.12Å; L300-R343 HydrophobicContact CD2-CG 3.87Å; L300-E347 HydrophobicContact CB-CG 3.71Å; L300-E347 HydrophobicContact CD2-CB 4.06Å; L300-E347 HydrophobicContact CD2-CG 4.1Å; L300-K353 PolarHBondContact N-O 3.08Å; L300-T354 HydrophobicContact CB-CG2 4.24Å; L300-T354 HydrophobicContact CD2-CG2 3.8Å; L300-T354 HydrophobicContact CG-CG2 3.91Å; L300-T354 VanDerWaalsContact O-CA 3.31Å; L300-T354 WeakPolarHBondContact O-CA 3.08Å; L300-L355 PolarHBondContact O-N 2.86Å
301	L	98.4	Very high	96	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.5	166.9	-176.9	70.3	0	0	0	110.3	I288 L293 P309 I313 V317 N319 T320 V321 L355	I288-L301 HydrophobicContact CD1-CD1 4.47Å; L293-L301 HydrophobicContact CD2-CD1 4.48Å; L301-P309 HydrophobicContact CD2-CB 4.1Å; L301-P309 HydrophobicContact CD2-CG 3.95Å; L301-I313 HydrophobicContact CD2-CG2 3.67Å; L301-V317 HydrophobicContact CB-CG1 4.4Å; L301-V317 HydrophobicContact CB-CG2 3.85Å; L301-N319 PolarHBondContact N-O 3Å; L301-T320 HydrophobicContact CB-CG2 4.45Å; L301-T320 HydrophobicContact CD2-CG2 4.3Å; L301-T320 CarbonylContact O-C 3.53Å; L301-T320 VanDerWaalsContact O-CA 3.31Å; L301-T320 WeakPolarHBondContact O-CA 3.35Å; L301-V321 PolarHBondContact O-N 2.81Å; L301-L355 HydrophobicContact CD1-CD2 3.66Å
302	V	98.6	Very high	95.8	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	111.1	169.4	-174.4	0	0	0	0	109.1	L300 V321 V323 V340 T354 L355 I356 H357 L368	L300-V302 HydrophobicContact CD2-CG2 4.23Å; L300-V302 HydrophobicContact CG-CG2 4.15Å; V302-V321 WeakPolarHBondContact CA-O 3.28Å; V302-V321 HydrophobicContact CG1-CG1 4.47Å; V302-V321 HydrophobicContact CG2-CB 4.38Å; V302-V323 HydrophobicContact CG1-CG2 4.16Å; V302-V340 HydrophobicContact CG1-CG1 4.16Å; V302-T354 HydrophobicContact CG2-CG2 3.72Å; V302-L355 PolarHBondContact N-O 3.31Å; V302-I356 HydrophobicContact CB-CB 4.31Å; V302-I356 HydrophobicContact CB-CD1 4.49Å; V302-I356 HydrophobicContact CB-CG1 4.02Å; V302-I356 HydrophobicContact CB-CG2 4.05Å; V302-I356 HydrophobicContact CG1-CG2 4.12Å; V302-I356 HydrophobicContact CG2-CG1 4.26Å; V302-I356 WeakPolarHBondContact O-CA 3.39Å; V302-H357 PolarHBondContact O-CD2 2.86Å; V302-H357 PolarHBondContact O-N 2.98Å; V302-L368 HydrophobicContact CG1-CD1 4.36Å
303	S	98.2	Very high	95.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	115.9	175.2	178.6	0	0	0	0	110.4	V321 V323 H357	S303-V321 PolarHBondContact N-O 3.36Å; S303-V323 PolarHBondContact O-N 3.03Å; S303-H357 VanDerWaalsContact CB-NE2 3.35Å; S303-H357 WeakPolarHBondContact CB-NE2 3.28Å; S303-H357 PolarHBondContact OG-CE1 2.9Å
304	A	98.3	Very high	95.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	74.1	169.1	0	0	0	0	0	109.5	V325 H357 C358 R364 L368	A304-V325 HydrophobicContact CB-CG2 4.27Å; A304-H357 PolarHBondContact N-O 3.09Å; A304-C358 HydrophobicContact CB-CB 4.44Å; A304-C358 WeakPolarHBondContact O-CA 3.47Å; A304-C358 WeakPolarHBondContact O-CB 3.4Å; A304-R364 HydrophobicContact CB-CB 3.92Å; A304-R364 WeakPolarHBondContact O-CD 3.5Å; A304-L368 HydrophobicContact CB-CD1 3.74Å
305	M	96.6	Very high	95.4	Very high	14 Å²	14	44.9 Å²	44.9	7%	0.069	24%	0.241	C	C	.	.	S	Bend	trans	-145	155.1	-179.1	-53.9	-167.1	-42.6	0	0	108.4	L285 H322 V323 P324 C358	L285-M305 HydrophobicContact CB-SD 4.32Å; L285-M305 HydrophobicContact CD1-CE 4.12Å; L285-M305 HydrophobicContact CD1-SD 4.34Å; L285-M305 HydrophobicContact CD2-CE 4.1Å; L285-M305 HydrophobicContact CD2-SD 4.09Å; L285-M305 HydrophobicContact CG-SD 4.49Å; M305-H322 PolarHBondContact O-NE2 3.34Å; M305-V323 PolarHBondContact N-O 2.8Å; M305-V323 VanDerWaalsContact O-O 3.13Å; M305-P324 WeakPolarHBondContact O-CA 3.24Å; M305-C358 HydrophobicContact CG-CB 4.43Å
306	I	95.5	Very high	95.3	Very high	90 Å²	90	40 Å²	40	46%	0.462	22%	0.221	S	C	.	.	S	Bend	trans	-55.1	-55.9	174.1	-50.8	170	0	0	0	108.9	H322 V325 E326	I306-H322 PolarHBondContact O-CE1 3.4Å; I306-H322 PolarHBondContact O-NE2 2.79Å; I306-V325 PolarHBondContact N-O 2.78Å; I306-E326 HydrophobicContact CD1-CG 3.76Å; I306-E326 HydrophobicContact CG1-CG 3.87Å
307	D	93.8	Very high	95.3	Very high	117 Å²	117	39.5 Å²	39.5	63%	0.626	22%	0.22	S	C	*	.	S	Bend	trans	-74.9	144.5	-179.5	-51.4	-75	0	0	0	112.8	H322	D307-H322 PolarHBondContact O-NE2 3.09Å; D307-H322 VanDerWaalsContact O-NE2 3.16Å
308	S	91.4	Very high	95.2	Very high	51 Å²	51	45.1 Å²	45.1	36%	0.357	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-67.5	138.6	171.7	-130.5	0	0	0	0	109.7	R314 H322	S308-R314 PolarHBondContact OG-NH1 3.48Å; S308-H322 VanDerWaalsContact CA-CE1 3.48Å; S308-H322 WeakPolarHBondContact CA-CE1 3.24Å; S308-H322 PolarHBondContact N-CE1 3.32Å; S308-H322 VanDerWaalsContact N-CE1 3.31Å; S308-H322 PolarHBondContact OG-ND1 3.22Å
309	P	89	Confident	95.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-62.4	150.6	-174.9	23.3	-31.3	0	0	0	111.8	L301 R314 T320	L301-P309 HydrophobicContact CD2-CB 4.1Å; L301-P309 HydrophobicContact CD2-CG 3.95Å; P309-R314 HydrophobicContact CB-CG 4.29Å; P309-R314 HydrophobicContact CG-CG 3.72Å; P309-R314 WeakPolarHBondContact O-CD 2.99Å; P309-R314 WeakPolarHBondContact O-CG 3.4Å; P309-R314 PolarHBondContact O-NE 3.14Å; P309-T320 HydrophobicContact CG-CG2 3.99Å
310	P	89.6	Confident	95.1	Very high	50 Å²	50	47.3 Å²	47.3	33%	0.325	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-54.6	146	-172.1	-27.9	34.9	0	0	0	113.7	H312 I313 R314	P310-H312 VanDerWaalsContact C-N 3.27Å; P310-H312 PolarHBondContact O-N 2.87Å; P310-I313 HydrophobicContact CB-CG1 4.15Å; P310-I313 HydrophobicContact CG-CG1 4.38Å; P310-I313 WeakPolarHBondContact O-CA 3.32Å; P310-I313 WeakPolarHBondContact O-CB 3.25Å; P310-I313 PolarHBondContact O-N 3.15Å; P310-R314 PolarHBondContact O-N 3.5Å
311	V	92.7	Very high	95	Very high	88 Å²	88	48.4 Å²	48.4	53%	0.533	26%	0.258	S	S	.	.	H	α-helix	trans	-57	-38.3	-173.4	177.1	0	0	0	0	112.6	I313 R314 N315	V311-I313 VanDerWaalsContact C-N 3.31Å; V311-I313 PolarHBondContact O-N 3.42Å; V311-R314 PolarHBondContact O-N 3.43Å; V311-N315 WeakPolarHBondContact O-CB 3.32Å; V311-N315 VanDerWaalsContact O-CG 3.29Å; V311-N315 PolarHBondContact O-N 3.36Å
312	H	92.4	Very high	95	Very high	122 Å²	122	50.9 Å²	50.9	57%	0.565	27%	0.27	S	S	*	.	H	α-helix	trans	-68.1	-29	177.2	61.8	-97.9	0	0	0	113.1	P310	P310-H312 VanDerWaalsContact C-N 3.27Å; P310-H312 PolarHBondContact O-N 2.87Å
313	I	93.8	Very high	95	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-75.8	-45.9	172.9	-58.7	-55.9	0	0	0	110.3	I288 P290 L293 L301 P310 V311 N315 A316	I288-I313 HydrophobicContact CG2-CD1 4.19Å; I288-I313 HydrophobicContact CG2-CG2 3.8Å; I288-I313 WeakPolarHBondContact O-CD1 3.49Å; P290-I313 HydrophobicContact CG-CD1 4.25Å; L293-I313 HydrophobicContact CD1-CG2 3.91Å; L301-I313 HydrophobicContact CD2-CG2 3.67Å; P310-I313 HydrophobicContact CB-CG1 4.15Å; P310-I313 HydrophobicContact CG-CG1 4.38Å; P310-I313 WeakPolarHBondContact O-CA 3.32Å; P310-I313 WeakPolarHBondContact O-CB 3.25Å; P310-I313 PolarHBondContact O-N 3.15Å; V311-I313 VanDerWaalsContact C-N 3.31Å; V311-I313 PolarHBondContact O-N 3.42Å; I313-N315 VanDerWaalsContact C-N 3.33Å; I313-N315 PolarHBondContact O-N 2.91Å; I313-A316 WeakPolarHBondContact O-CB 3.38Å; I313-A316 PolarHBondContact O-N 2.84Å; I313-A316 VanDerWaalsContact O-N 3.1Å
314	R	93.1	Very high	94.9	Very high	94 Å²	94	54.7 Å²	54.7	36%	0.355	30%	0.295	S	S	.	.	H	α-helix	trans	-60.8	-38.7	176.6	-71.6	-165.4	-74.4	171.2	4.9	113.1	S308 P309 P310 V311 A316 V317 T320	S308-R314 PolarHBondContact OG-NH1 3.48Å; P309-R314 HydrophobicContact CB-CG 4.29Å; P309-R314 HydrophobicContact CG-CG 3.72Å; P309-R314 WeakPolarHBondContact O-CD 2.99Å; P309-R314 WeakPolarHBondContact O-CG 3.4Å; P309-R314 PolarHBondContact O-NE 3.14Å; P310-R314 PolarHBondContact O-N 3.5Å; V311-R314 PolarHBondContact O-N 3.43Å; R314-A316 VanDerWaalsContact C-N 3.26Å; R314-A316 PolarHBondContact O-N 2.72Å; R314-V317 WeakPolarHBondContact O-CG2 3.39Å; R314-T320 HydrophobicContact CG-CG2 4.13Å
315	N	94.5	Very high	94.8	Very high	93 Å²	93	55.1 Å²	55.1	50%	0.497	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-5.4	177.7	-70.1	-15.5	0	0	0	113.7	R107 V311 I313	R107-N315 PolarHBondContact NH2-OD1 2.89Å; V311-N315 WeakPolarHBondContact O-CB 3.32Å; V311-N315 VanDerWaalsContact O-CG 3.29Å; V311-N315 PolarHBondContact O-N 3.36Å; I313-N315 VanDerWaalsContact C-N 3.33Å; I313-N315 PolarHBondContact O-N 2.91Å
316	A	95.4	Very high	94.8	Very high	16 Å²	16	59.3 Å²	59.3	13%	0.132	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-13.6	176.9	0	0	0	0	0	113.7	P290 L293 I313 R314	P290-A316 HydrophobicContact CB-CB 3.79Å; P290-A316 HydrophobicContact CG-CB 4.44Å; L293-A316 HydrophobicContact CD1-CB 3.95Å; I313-A316 WeakPolarHBondContact O-CB 3.38Å; I313-A316 PolarHBondContact O-N 2.84Å; I313-A316 VanDerWaalsContact O-N 3.1Å; R314-A316 VanDerWaalsContact C-N 3.26Å; R314-A316 PolarHBondContact O-N 2.72Å
317	V	96.7	Very high	94.9	Very high	17 Å²	17	57.5 Å²	57.5	10%	0.103	31%	0.308	C	S	.	.	S	Bend	trans	-119.7	158.7	-178.8	-66.5	0	0	0	0	111.1	L293 I298 L301 R314 N319	L293-V317 HydrophobicContact CB-CG1 4.39Å; L293-V317 HydrophobicContact CD1-CG1 4.13Å; L293-V317 HydrophobicContact CD2-CG1 4.15Å; L293-V317 HydrophobicContact CG-CG1 4.47Å; I298-V317 HydrophobicContact CB-CG1 4.34Å; I298-V317 HydrophobicContact CG2-CG1 3.96Å; L301-V317 HydrophobicContact CB-CG1 4.4Å; L301-V317 HydrophobicContact CB-CG2 3.85Å; R314-V317 WeakPolarHBondContact O-CG2 3.39Å; V317-N319 WeakPolarHBondContact CG2-O 3.42Å
318	M	95.7	Very high	95	Very high	151 Å²	151	55.3 Å²	55.3	74%	0.744	30%	0.296	S	S	*	.	S	Bend	trans	-71.4	-32	177.1	-61.8	176.4	73.4	0	0	112.5	T299	T299-M318 HydrophobicContact CG2-SD 4.19Å; T299-M318 PolarHBondContact O-N 2.58Å
319	N	96.8	Very high	95.2	Very high	36 Å²	36	57 Å²	57	19%	0.193	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	144.5	-173.5	-67.7	-104.3	0	0	0	110.6	T299 L300 L301 V317 R343 R350	T299-N319 PolarHBondContact O-N 3.28Å; L300-N319 WeakPolarHBondContact CA-O 3.46Å; L300-N319 HydrophobicContact CD1-CB 3.71Å; L301-N319 PolarHBondContact N-O 3Å; V317-N319 WeakPolarHBondContact CG2-O 3.42Å; N319-R343 PolarHBondContact OD1-NH2 3.12Å; N319-R350 PolarHBondContact ND2-NH2 2.99Å
320	T	97.3	Very high	95.6	Very high	49 Å²	49	61.8 Å²	61.8	30%	0.301	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.7	169.7	-63.5	0	0	0	0	109.5	L301 P309 R314	L301-T320 HydrophobicContact CB-CG2 4.45Å; L301-T320 HydrophobicContact CD2-CG2 4.3Å; L301-T320 CarbonylContact O-C 3.53Å; L301-T320 VanDerWaalsContact O-CA 3.31Å; L301-T320 WeakPolarHBondContact O-CA 3.35Å; P309-T320 HydrophobicContact CG-CG2 3.99Å; R314-T320 HydrophobicContact CG-CG2 4.13Å
321	V	97.4	Very high	96	Very high	22 Å²	22	60 Å²	60	13%	0.133	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.7	163.3	171.5	0	0	0	0	107.9	L300 L301 V302 S303 V323 R343	L300-V321 HydrophobicContact CD1-CG2 4.12Å; L301-V321 PolarHBondContact O-N 2.81Å; V302-V321 WeakPolarHBondContact CA-O 3.28Å; V302-V321 HydrophobicContact CG1-CG1 4.47Å; V302-V321 HydrophobicContact CG2-CB 4.38Å; S303-V321 PolarHBondContact N-O 3.36Å; V321-V323 HydrophobicContact CG1-CG2 4.11Å; V321-R343 HydrophobicContact CG2-CG 4.12Å
322	H	97.8	Very high	96.2	Very high	53 Å²	53	60.5 Å²	60.5	25%	0.245	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.2	172.6	-176.6	-155.3	0	0	0	109.3	M305 I306 D307 S308	M305-H322 PolarHBondContact O-NE2 3.34Å; I306-H322 PolarHBondContact O-CE1 3.4Å; I306-H322 PolarHBondContact O-NE2 2.79Å; D307-H322 PolarHBondContact O-NE2 3.09Å; D307-H322 VanDerWaalsContact O-NE2 3.16Å; S308-H322 VanDerWaalsContact CA-CE1 3.48Å; S308-H322 WeakPolarHBondContact CA-CE1 3.24Å; S308-H322 PolarHBondContact N-CE1 3.32Å; S308-H322 VanDerWaalsContact N-CE1 3.31Å; S308-H322 PolarHBondContact OG-ND1 3.22Å
323	V	98.2	Very high	96.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	92.6	178.3	-171.5	0	0	0	0	106.2	V302 S303 M305 V321 V325 L333 H336 V340 L368	V302-V323 HydrophobicContact CG1-CG2 4.16Å; S303-V323 PolarHBondContact O-N 3.03Å; M305-V323 PolarHBondContact N-O 2.8Å; M305-V323 VanDerWaalsContact O-O 3.13Å; V321-V323 HydrophobicContact CG1-CG2 4.11Å; V323-V325 HydrophobicContact CG1-CG1 4.2Å; V323-V325 HydrophobicContact CG1-CG2 4.15Å; V323-V325 WeakPolarHBondContact O-CG2 3.49Å; V323-V325 PolarHBondContact O-N 3.26Å; V323-L333 HydrophobicContact CG1-CD1 3.84Å; V323-H336 HydrophobicContact CG1-CB 3.91Å; V323-H336 WeakPolarHBondContact CG1-CD2 3.49Å; V323-V340 HydrophobicContact CG2-CG2 3.88Å; V323-L368 HydrophobicContact CG2-CD1 4.4Å
324	P	97.3	Very high	96.7	Very high	81 Å²	81	57.8 Å²	57.8	53%	0.526	31%	0.305	S	S	.	.			trans	-74.3	85.6	-171.5	29.8	-34.8	0	0	0	111.2	M305	M305-P324 WeakPolarHBondContact O-CA 3.24Å
325	V	96.6	Very high	96.9	Very high	10 Å²	10	56.4 Å²	56.4	6%	0.061	31%	0.314	C	S	.	.			trans	-133.7	140.5	-175.8	-70	0	0	0	0	114.5	A304 I306 V323 L333 R364	A304-V325 HydrophobicContact CB-CG2 4.27Å; I306-V325 PolarHBondContact N-O 2.78Å; V323-V325 HydrophobicContact CG1-CG1 4.2Å; V323-V325 HydrophobicContact CG1-CG2 4.15Å; V323-V325 WeakPolarHBondContact O-CG2 3.49Å; V323-V325 PolarHBondContact O-N 3.26Å; V325-L333 HydrophobicContact CG1-CD1 4.15Å; V325-L333 HydrophobicContact CG2-CD1 3.92Å; V325-R364 HydrophobicContact CG2-CG 4.05Å; V325-R364 VanDerWaalsContact O-CD 3.26Å; V325-R364 WeakPolarHBondContact O-CD 3.35Å; V325-R364 PolarHBondContact O-NH1 3.39Å
326	E	96.7	Very high	97.1	Very high	101 Å²	101	53.9 Å²	53.9	47%	0.472	30%	0.299	S	S	.	.			trans	-76	163.3	167.1	-63.5	-152.7	-118.7	0	0	112.3	I306 I328 R364	I306-E326 HydrophobicContact CD1-CG 3.76Å; I306-E326 HydrophobicContact CG1-CG 3.87Å; E326-I328 VanDerWaalsContact C-N 3.28Å; E326-I328 HydrophobicContact CB-CD1 3.9Å; E326-I328 HydrophobicContact CB-CG1 3.8Å; E326-I328 HydrophobicContact CB-CG2 4.36Å; E326-I328 HydrophobicContact CG-CD1 4.43Å; E326-I328 PolarHBondContact O-N 3.47Å; E326-R364 WeakPolarHBondContact O-CD 3.38Å
327	D	97.1	Very high	97.2	Very high	53 Å²	53	53.1 Å²	53.1	28%	0.283	29%	0.292	S	S	.	.	S	Bend	trans	-94.3	30.9	179.1	-131.3	-40.6	0	0	0	113.4	S363 R364 N398	D327-S363 WeakPolarHBondContact OD1-CB 3.42Å; D327-S363 PolarHBondContact OD1-OG 3.14Å; D327-R364 HydrophobicContact CB-CG 4.45Å; D327-R364 IonicContact OD2-CZ 3.53Å; D327-R364 VanDerWaalsContact OD2-CZ 3.25Å; D327-R364 IonicContact OD2-NE 3.3Å; D327-R364 PolarHBondContact OD2-NE 2.85Å; D327-R364 IonicContact OD2-NH2 2.69Å; D327-R364 PolarHBondContact OD2-NH2 2.83Å; D327-N398 VanDerWaalsContact C-ND2 3.27Å; D327-N398 PolarHBondContact O-ND2 2.82Å
328	I	96.4	Very high	97.3	Very high	71 Å²	71	54.3 Å²	54.3	36%	0.364	30%	0.298	S	S	.	.	S	Bend	trans	-104.5	155.6	-172.9	65.3	-174.9	0	0	0	111.9	E326 S330 A331 N398	E326-I328 VanDerWaalsContact C-N 3.28Å; E326-I328 HydrophobicContact CB-CD1 3.9Å; E326-I328 HydrophobicContact CB-CG1 3.8Å; E326-I328 HydrophobicContact CB-CG2 4.36Å; E326-I328 HydrophobicContact CG-CD1 4.43Å; E326-I328 PolarHBondContact O-N 3.47Å; I328-S330 WeakPolarHBondContact CD1-OG 3.32Å; I328-S330 WeakPolarHBondContact CG1-OG 3Å; I328-S330 PolarHBondContact O-N 2.89Å; I328-A331 HydrophobicContact CG1-CB 3.95Å; I328-A331 PolarHBondContact O-N 2.83Å; I328-N398 VanDerWaalsContact C-ND2 3.26Å; I328-N398 PolarHBondContact O-ND2 2.87Å
329	E	95.3	Very high	97.4	Very high	86 Å²	86	53.9 Å²	53.9	40%	0.402	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.1	-176.2	-70.9	-157.9	-144.4	0	0	115.3	P399 G400 R403	E329-P399 HydrophobicContact CG-CB 4.49Å; E329-P399 WeakPolarHBondContact OE1-CB 3.43Å; E329-P399 WeakPolarHBondContact OE1-CD 3.45Å; E329-P399 VanDerWaalsContact OE1-CG 3.31Å; E329-P399 WeakPolarHBondContact OE1-CG 3.39Å; E329-G400 PolarHBondContact OE2-N 3.11Å; E329-R403 IonicContact OE2-CZ 3.51Å; E329-R403 IonicContact OE2-NH2 3.54Å; E329-R403 PolarHBondContact OE2-NH2 2.88Å
330	S	96.4	Very high	97.5	Very high	100 Å²	100	52.3 Å²	52.3	70%	0.699	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-10.5	177.9	48	0	0	0	0	113.6	I328 N332	I328-S330 WeakPolarHBondContact CD1-OG 3.32Å; I328-S330 WeakPolarHBondContact CG1-OG 3Å; I328-S330 PolarHBondContact O-N 2.89Å; S330-N332 PolarHBondContact O-N 3.01Å
331	A	97.5	Very high	97.6	Very high	14 Å²	14	50 Å²	50	12%	0.116	27%	0.266	C	S	.	.			trans	-72.8	125	-179.6	0	0	0	0	0	111.1	I328 L333 F401 Q404	I328-A331 HydrophobicContact CG1-CB 3.95Å; I328-A331 PolarHBondContact O-N 2.83Å; A331-L333 PolarHBondContact O-N 3.34Å; A331-F401 HydrophobicContact CB-CE1 4.11Å; A331-F401 HydrophobicContact CB-CZ 4.39Å; A331-F401 WeakPolarHBondContact O-CE1 3.45Å; A331-Q404 PolarHBondContact O-NE2 2.91Å; A331-Q404 PolarHBondContact O-OE1 3.14Å
332	N	97.7	Very high	97.6	Very high	98 Å²	98	51.7 Å²	51.7	52%	0.524	27%	0.274	S	S	.	.			trans	-82.1	78.3	179.7	-175.4	-1.8	0	0	0	111.4	S330 R334 A335	S330-N332 PolarHBondContact O-N 3.01Å; N332-R334 VanDerWaalsContact C-N 3.33Å; N332-R334 WeakPolarHBondContact OD1-CB 3.31Å; N332-A335 PolarHBondContact OD1-N 2.83Å
333	L	98.2	Very high	97.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.275	C	S	.	.			trans	-75.9	-24.1	174.9	-170.1	50.5	0	0	0	112	V323 V325 A331 A335 H336 F337 R364 T367 L368 F401	V323-L333 HydrophobicContact CG1-CD1 3.84Å; V325-L333 HydrophobicContact CG1-CD1 4.15Å; V325-L333 HydrophobicContact CG2-CD1 3.92Å; A331-L333 PolarHBondContact O-N 3.34Å; L333-A335 VanDerWaalsContact C-N 3.26Å; L333-A335 PolarHBondContact O-N 3.06Å; L333-H336 PolarHBondContact O-N 2.83Å; L333-F337 HydrophobicContact CB-CE1 4.34Å; L333-F337 HydrophobicContact CG-CE1 3.99Å; L333-F337 VanDerWaalsContact O-CD1 3.28Å; L333-F337 WeakPolarHBondContact O-CD1 3.32Å; L333-R364 HydrophobicContact CD2-CB 4.4Å; L333-R364 HydrophobicContact CD2-CG 4.42Å; L333-T367 HydrophobicContact CD2-CG2 3.93Å; L333-L368 HydrophobicContact CD1-CD1 4.37Å; L333-L368 HydrophobicContact CD1-CD2 3.78Å; L333-L368 HydrophobicContact CD1-CG 4.12Å; L333-L368 HydrophobicContact CD2-CG 4.42Å; L333-L368 HydrophobicContact CG-CD2 4.1Å; L333-L368 HydrophobicContact CG-CG 4.43Å; L333-F401 HydrophobicContact CB-CD1 3.93Å; L333-F401 HydrophobicContact CB-CE1 3.68Å; L333-F401 HydrophobicContact CB-CZ 4.36Å; L333-F401 HydrophobicContact CD2-CD1 4.19Å; L333-F401 HydrophobicContact CD2-CD2 4.25Å; L333-F401 HydrophobicContact CD2-CE1 3.99Å; L333-F401 HydrophobicContact CD2-CE2 4.06Å; L333-F401 HydrophobicContact CD2-CG 4.34Å; L333-F401 HydrophobicContact CD2-CZ 3.94Å
334	R	98	Very high	97.7	Very high	69 Å²	69	52.5 Å²	52.5	26%	0.26	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-52.1	-40.1	173.5	-175.8	-179.9	175.8	78.1	-7.6	112.9	N332 H336 F337 Q404 E407 Y408	N332-R334 VanDerWaalsContact C-N 3.33Å; N332-R334 WeakPolarHBondContact OD1-CB 3.31Å; R334-H336 PolarHBondContact O-N 3.42Å; R334-F337 HydrophobicContact CB-CD2 4.31Å; R334-F337 HydrophobicContact CB-CE2 4.2Å; R334-F337 HydrophobicContact CG-CD2 4.17Å; R334-F337 HydrophobicContact CG-CE2 4.3Å; R334-F337 WeakPolarHBondContact O-CB 3.44Å; R334-F337 PolarHBondContact O-N 3.39Å; R334-Q404 HydrophobicContact CB-CB 4.07Å; R334-Q404 HydrophobicContact CB-CG 4.03Å; R334-Q404 PolarHBondContact NH1-O 3.36Å; R334-E407 IonicContact CZ-OE2 3.8Å; R334-E407 IonicContact NE-OE2 2.72Å; R334-E407 VanDerWaalsContact NH1-CB 3.31Å; R334-E407 PolarHBondContact NH1-O 2.92Å; R334-E407 PolarHBondContact NH2-O 2.9Å; R334-Y408 VanDerWaalsContact NH1-CA 3.26Å
335	A	97.9	Very high	97.8	Very high	64 Å²	64	49 Å²	49	53%	0.529	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-56.7	-19.1	176.1	0	0	0	0	0	114.1	N332 L333	N332-A335 PolarHBondContact OD1-N 2.83Å; L333-A335 VanDerWaalsContact C-N 3.26Å; L333-A335 PolarHBondContact O-N 3.06Å
336	H	98.5	Very high	97.8	Very high	40 Å²	40	50.2 Å²	50.2	19%	0.185	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-105.1	-8.8	179.3	-55.8	-54	0	0	0	113.9	V323 L333 R334 D338 V340	V323-H336 HydrophobicContact CG1-CB 3.91Å; V323-H336 WeakPolarHBondContact CG1-CD2 3.49Å; L333-H336 PolarHBondContact O-N 2.83Å; R334-H336 PolarHBondContact O-N 3.42Å; H336-D338 PolarHBondContact O-N 2.73Å; H336-V340 HydrophobicContact CB-CG2 4.19Å; H336-V340 VanDerWaalsContact O-CB 3.29Å; H336-V340 WeakPolarHBondContact O-CB 3.39Å; H336-V340 VanDerWaalsContact O-CG2 3.28Å; H336-V340 WeakPolarHBondContact O-CG2 3.31Å; H336-V340 PolarHBondContact O-N 3.22Å
337	F	98.6	Very high	97.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.1	-54.1	-174.4	-73.7	-4	0	0	0	112.5	L333 R334 S341 T367 L368 A371 Q404 L405 Y408	L333-F337 HydrophobicContact CB-CE1 4.34Å; L333-F337 HydrophobicContact CG-CE1 3.99Å; L333-F337 VanDerWaalsContact O-CD1 3.28Å; L333-F337 WeakPolarHBondContact O-CD1 3.32Å; R334-F337 HydrophobicContact CB-CD2 4.31Å; R334-F337 HydrophobicContact CB-CE2 4.2Å; R334-F337 HydrophobicContact CG-CD2 4.17Å; R334-F337 HydrophobicContact CG-CE2 4.3Å; R334-F337 WeakPolarHBondContact O-CB 3.44Å; R334-F337 PolarHBondContact O-N 3.39Å; F337-S341 WeakPolarHBondContact O-CB 3.44Å; F337-S341 PolarHBondContact O-N 3.45Å; F337-S341 PolarHBondContact O-OG 2.78Å; F337-T367 HydrophobicContact CE1-CG2 3.71Å; F337-T367 HydrophobicContact CZ-CG2 3.72Å; F337-L368 HydrophobicContact CD1-CD2 4.07Å; F337-L368 HydrophobicContact CE1-CD2 4.47Å; F337-A371 HydrophobicContact CB-CB 3.98Å; F337-A371 HydrophobicContact CD1-CB 3.8Å; F337-A371 HydrophobicContact CD2-CB 3.97Å; F337-A371 HydrophobicContact CE1-CB 4.22Å; F337-A371 HydrophobicContact CE2-CB 4.38Å; F337-A371 HydrophobicContact CG-CB 3.66Å; F337-A371 HydrophobicContact CZ-CB 4.5Å; F337-Q404 HydrophobicContact CE2-CB 4.37Å; F337-Q404 HydrophobicContact CZ-CB 4.23Å; F337-L405 HydrophobicContact CE2-CD2 4.1Å; F337-L405 HydrophobicContact CE2-CG 4.49Å; F337-L405 HydrophobicContact CZ-CD2 3.93Å; F337-L405 HydrophobicContact CZ-CG 4.18Å; F337-Y408 HydrophobicContact CB-CD2 4.36Å; F337-Y408 HydrophobicContact CB-CE1 4.12Å; F337-Y408 HydrophobicContact CB-CE2 3.84Å; F337-Y408 AromaticContact CD2-CD1 3.73Å; F337-Y408 HydrophobicContact CD2-CD1 3.73Å; F337-Y408 AromaticContact CD2-CD2 3.69Å; F337-Y408 HydrophobicContact CD2-CD2 3.69Å; F337-Y408 HydrophobicContact CD2-CE1 4.06Å; F337-Y408 HydrophobicContact CD2-CE2 4.04Å; F337-Y408 AromaticContact CD2-CG 3.51Å; F337-Y408 HydrophobicContact CD2-CG 3.51Å; F337-Y408 HydrophobicContact CE2-CD1 4.29Å; F337-Y408 HydrophobicContact CE2-CG 4.04Å; F337-Y408 HydrophobicContact CG-CE1 4.45Å; F337-Y408 HydrophobicContact CG-CE2 4.48Å
338	D	98.4	Very high	98	Very high	42 Å²	42	46.1 Å²	46.1	23%	0.225	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-51.3	-177.4	-69.5	-35	0	0	0	111.2	H336 V340 S341 D342 R375 Y408 K411	H336-D338 PolarHBondContact O-N 2.73Å; D338-V340 PolarHBondContact O-N 2.79Å; D338-S341 PolarHBondContact O-N 2.69Å; D338-D342 WeakPolarHBondContact O-CB 3.33Å; D338-D342 PolarHBondContact O-N 3.1Å; D338-R375 VanDerWaalsContact CG-NH1 3.3Å; D338-R375 IonicContact OD1-CZ 3.77Å; D338-R375 IonicContact OD1-NE 2.76Å; D338-R375 IonicContact OD1-NH1 2.74Å; D338-R375 PolarHBondContact OD1-NH1 2.96Å; D338-R375 IonicContact OD2-NH1 3.04Å; D338-Y408 VanDerWaalsContact OD1-CE2 3.25Å; D338-Y408 WeakPolarHBondContact OD1-CE2 3.43Å; D338-Y408 VanDerWaalsContact OD1-CZ 3.32Å; D338-Y408 PolarHBondContact OD1-OH 2.94Å; D338-K411 IonicContact OD2-NZ 2.69Å; D338-K411 PolarHBondContact OD2-NZ 3.02Å
339	R	98.2	Very high	98.1	Very high	143 Å²	143	52.2 Å²	52.2	54%	0.54	26%	0.264	S	S	.	.	H	α-helix	trans	-57.4	-45.3	179.5	-171.8	-179.2	76	161.6	2.9	113.1	R343	R339-R343 WeakPolarHBondContact O-CB 3.26Å; R339-R343 PolarHBondContact O-N 3.5Å
340	V	98.7	Very high	98.1	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-71.4	-43.8	-179.6	171.5	0	0	0	0	110.5	V302 V323 H336 D338 D342 R343 I344 L368	V302-V340 HydrophobicContact CG1-CG1 4.16Å; V323-V340 HydrophobicContact CG2-CG2 3.88Å; H336-V340 HydrophobicContact CB-CG2 4.19Å; H336-V340 VanDerWaalsContact O-CB 3.29Å; H336-V340 WeakPolarHBondContact O-CB 3.39Å; H336-V340 VanDerWaalsContact O-CG2 3.28Å; H336-V340 WeakPolarHBondContact O-CG2 3.31Å; H336-V340 PolarHBondContact O-N 3.22Å; D338-V340 PolarHBondContact O-N 2.79Å; V340-D342 PolarHBondContact O-N 2.84Å; V340-R343 PolarHBondContact O-N 3.27Å; V340-I344 HydrophobicContact CG1-CD1 3.81Å; V340-I344 HydrophobicContact CG1-CG1 4.47Å; V340-I344 WeakPolarHBondContact O-CD1 3.45Å; V340-I344 VanDerWaalsContact O-CG1 3.27Å; V340-I344 WeakPolarHBondContact O-CG1 3.4Å; V340-I344 PolarHBondContact O-N 3.36Å; V340-L368 HydrophobicContact CB-CD2 4.31Å; V340-L368 HydrophobicContact CG1-CB 4.44Å; V340-L368 HydrophobicContact CG1-CD1 4.37Å; V340-L368 HydrophobicContact CG1-CD2 4.27Å; V340-L368 HydrophobicContact CG2-CD2 4.34Å
341	S	98.7	Very high	98.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-46.4	179.9	-62.5	0	0	0	0	112.1	F337 D338 R343 I344 A345 Y372	F337-S341 WeakPolarHBondContact O-CB 3.44Å; F337-S341 PolarHBondContact O-N 3.45Å; F337-S341 PolarHBondContact O-OG 2.78Å; D338-S341 PolarHBondContact O-N 2.69Å; S341-R343 VanDerWaalsContact C-N 3.34Å; S341-R343 PolarHBondContact O-N 2.87Å; S341-I344 PolarHBondContact O-N 3.32Å; S341-A345 PolarHBondContact O-N 2.99Å; S341-Y372 WeakPolarHBondContact O-CD2 3.48Å; S341-Y372 WeakPolarHBondContact OG-CA 3.49Å; S341-Y372 PolarHBondContact OG-N 3.04Å
342	D	98.4	Very high	98.2	Very high	59 Å²	59	52.7 Å²	52.7	32%	0.316	27%	0.266	S	S	.	.	H	α-helix	trans	-69.2	-32.9	179.1	-68.7	-8.6	0	0	0	112.4	D338 V340 A345 A346 R375 H376	D338-D342 WeakPolarHBondContact O-CB 3.33Å; D338-D342 PolarHBondContact O-N 3.1Å; V340-D342 PolarHBondContact O-N 2.84Å; D342-A345 PolarHBondContact O-N 3.16Å; D342-A346 WeakPolarHBondContact O-CB 3.34Å; D342-A346 PolarHBondContact O-N 2.69Å; D342-R375 IonicContact OD1-CZ 3.27Å; D342-R375 VanDerWaalsContact OD1-CZ 3.3Å; D342-R375 IonicContact OD1-NE 3.88Å; D342-R375 PolarHBondContact OD1-NE 3.02Å; D342-R375 IonicContact OD1-NH2 3.83Å; D342-R375 PolarHBondContact OD1-NH2 3.3Å; D342-R375 IonicContact OD2-CZ 3.5Å; D342-R375 IonicContact OD2-NE 2.81Å; D342-R375 IonicContact OD2-NH2 2.87Å; D342-R375 PolarHBondContact OD2-NH2 3.06Å; D342-H376 IonicContact OD1-CE1 3.57Å; D342-H376 PolarHBondContact OD1-CE1 3.25Å; D342-H376 IonicContact OD1-NE2 3.39Å; D342-H376 PolarHBondContact OD1-NE2 3.35Å
343	R	98.5	Very high	98.3	Very high	69 Å²	69	51.4 Å²	51.4	26%	0.26	26%	0.255	S	S	.	.	H	α-helix	trans	-67.6	-38.1	173.8	-175.2	53.5	176.8	-101	3.6	112	L300 N319 V321 R339 V340 S341 A346 E347	L300-R343 HydrophobicContact CD2-CG 3.87Å; N319-R343 PolarHBondContact OD1-NH2 3.12Å; V321-R343 HydrophobicContact CG2-CG 4.12Å; R339-R343 WeakPolarHBondContact O-CB 3.26Å; R339-R343 PolarHBondContact O-N 3.5Å; V340-R343 PolarHBondContact O-N 3.27Å; S341-R343 VanDerWaalsContact C-N 3.34Å; S341-R343 PolarHBondContact O-N 2.87Å; R343-A346 PolarHBondContact O-N 3.08Å; R343-E347 WeakPolarHBondContact O-CB 3.23Å; R343-E347 PolarHBondContact O-N 2.89Å
344	I	98.6	Very high	98.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-42.2	171.7	-60.7	153.2	0	0	0	110.4	L280 V340 S341 E347 N348 T354 I356 Y372	L280-I344 HydrophobicContact CD1-CG2 4.18Å; V340-I344 HydrophobicContact CG1-CD1 3.81Å; V340-I344 HydrophobicContact CG1-CG1 4.47Å; V340-I344 WeakPolarHBondContact O-CD1 3.45Å; V340-I344 VanDerWaalsContact O-CG1 3.27Å; V340-I344 WeakPolarHBondContact O-CG1 3.4Å; V340-I344 PolarHBondContact O-N 3.36Å; S341-I344 PolarHBondContact O-N 3.32Å; I344-E347 WeakPolarHBondContact O-CB 3.41Å; I344-E347 PolarHBondContact O-N 3.03Å; I344-N348 PolarHBondContact O-N 3.15Å; I344-T354 HydrophobicContact CG1-CG2 4.08Å; I344-I356 HydrophobicContact CD1-CD1 3.54Å; I344-I356 HydrophobicContact CG1-CD1 4.24Å; I344-Y372 HydrophobicContact CB-CD2 3.68Å; I344-Y372 HydrophobicContact CB-CE2 3.76Å; I344-Y372 HydrophobicContact CB-CG 4.32Å; I344-Y372 HydrophobicContact CD1-CD2 3.9Å; I344-Y372 HydrophobicContact CD1-CG 3.86Å; I344-Y372 HydrophobicContact CG1-CD2 4.43Å; I344-Y372 HydrophobicContact CG2-CD1 4.22Å; I344-Y372 HydrophobicContact CG2-CD2 3.69Å; I344-Y372 HydrophobicContact CG2-CE1 4.02Å; I344-Y372 HydrophobicContact CG2-CE2 3.46Å; I344-Y372 VanDerWaalsContact CG2-CE2 3.46Å; I344-Y372 HydrophobicContact CG2-CG 4.07Å
345	A	98.4	Very high	98.3	Very high	9 Å²	9	48.1 Å²	48.1	7%	0.074	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-35.4	177.6	0	0	0	0	0	113	S341 D342 R349 Y372 H376	S341-A345 PolarHBondContact O-N 2.99Å; D342-A345 PolarHBondContact O-N 3.16Å; A345-R349 WeakPolarHBondContact O-CB 3.38Å; A345-R349 VanDerWaalsContact O-CG 3.29Å; A345-R349 WeakPolarHBondContact O-CG 3.18Å; A345-R349 PolarHBondContact O-N 3.02Å; A345-R349 VanDerWaalsContact O-N 3.11Å; A345-R349 PolarHBondContact O-NE 3.01Å; A345-Y372 HydrophobicContact CB-CE2 4.27Å; A345-H376 WeakPolarHBondContact CB-CE1 3.32Å; A345-H376 WeakPolarHBondContact CB-ND1 3.48Å
346	A	98.4	Very high	98.4	Very high	35 Å²	35	45 Å²	45	29%	0.289	22%	0.218	S	C	.	.	H	α-helix	trans	-67	-40.6	171.3	0	0	0	0	0	111.9	D342 R343 R349 R350	D342-A346 WeakPolarHBondContact O-CB 3.34Å; D342-A346 PolarHBondContact O-N 2.69Å; R343-A346 PolarHBondContact O-N 3.08Å; A346-R349 PolarHBondContact O-N 2.71Å; A346-R350 PolarHBondContact O-N 2.87Å
347	E	98.4	Very high	98.4	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.009	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-46.7	175.9	-162.6	65.6	-131.6	0	0	111.7	T299 L300 R343 I344 R349 R350 G352	T299-E347 WeakPolarHBondContact CB-OE1 3.45Å; T299-E347 PolarHBondContact OG1-OE1 3.44Å; L300-E347 HydrophobicContact CB-CG 3.71Å; L300-E347 HydrophobicContact CD2-CB 4.06Å; L300-E347 HydrophobicContact CD2-CG 4.1Å; R343-E347 WeakPolarHBondContact O-CB 3.23Å; R343-E347 PolarHBondContact O-N 2.89Å; I344-E347 WeakPolarHBondContact O-CB 3.41Å; I344-E347 PolarHBondContact O-N 3.03Å; E347-R349 PolarHBondContact O-N 2.91Å; E347-R350 WeakPolarHBondContact O-CG 3.34Å; E347-R350 PolarHBondContact O-N 3.05Å; E347-R350 IonicContact OE1-CZ 2.86Å; E347-R350 VanDerWaalsContact OE1-CZ 3.26Å; E347-R350 IonicContact OE1-NE 3.53Å; E347-R350 PolarHBondContact OE1-NE 3.47Å; E347-R350 IonicContact OE1-NH2 3.26Å; E347-R350 PolarHBondContact OE1-NH2 3.09Å; E347-R350 IonicContact OE2-CZ 3.49Å; E347-R350 IonicContact OE2-NE 2.82Å; E347-R350 PolarHBondContact OE2-NE 2.77Å; E347-R350 IonicContact OE2-NH2 3.43Å; E347-R350 PolarHBondContact OE2-NH2 3.48Å; E347-G352 WeakPolarHBondContact O-CA 3.38Å; E347-G352 PolarHBondContact O-N 2.89Å
348	N	98.1	Very high	98.3	Very high	65 Å²	65	43.1 Å²	43.1	35%	0.348	21%	0.209	S	C	.	.	H	α-helix	trans	-62.4	-43.1	177.2	-173.6	35.2	0	0	0	112.3	H279 I344 R350 G351	H279-N348 HydrophobicContact CB-CB 4.41Å; H279-N348 WeakPolarHBondContact CB-OD1 3.46Å; H279-N348 PolarHBondContact CE1-ND2 3.15Å; H279-N348 VanDerWaalsContact CG-CG 3.44Å; H279-N348 VanDerWaalsContact CG-OD1 3.22Å; H279-N348 PolarHBondContact ND1-OD1 2.94Å; I344-N348 PolarHBondContact O-N 3.15Å; N348-R350 PolarHBondContact O-N 3.03Å; N348-R350 VanDerWaalsContact O-N 3.14Å; N348-G351 PolarHBondContact O-N 3.34Å
349	R	98.1	Very high	98.1	Very high	200 Å²	200	44.9 Å²	44.9	76%	0.755	22%	0.217	S	C	*	.	H	α-helix	trans	-61	-22.6	179.1	-79.9	-178.5	-65.5	145.6	-5.3	114.1	A345 A346 E347	A345-R349 WeakPolarHBondContact O-CB 3.38Å; A345-R349 VanDerWaalsContact O-CG 3.29Å; A345-R349 WeakPolarHBondContact O-CG 3.18Å; A345-R349 PolarHBondContact O-N 3.02Å; A345-R349 VanDerWaalsContact O-N 3.11Å; A345-R349 PolarHBondContact O-NE 3.01Å; A346-R349 PolarHBondContact O-N 2.71Å; E347-R349 PolarHBondContact O-N 2.91Å
350	R	97.2	Very high	97.9	Very high	138 Å²	138	39.4 Å²	39.4	52%	0.521	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	14.8	172.9	68.9	175.6	-173.9	-176.9	2.8	114.2	N319 A346 E347 N348 G352	N319-R350 PolarHBondContact ND2-NH2 2.99Å; A346-R350 PolarHBondContact O-N 2.87Å; E347-R350 WeakPolarHBondContact O-CG 3.34Å; E347-R350 PolarHBondContact O-N 3.05Å; E347-R350 IonicContact OE1-CZ 2.86Å; E347-R350 VanDerWaalsContact OE1-CZ 3.26Å; E347-R350 IonicContact OE1-NE 3.53Å; E347-R350 PolarHBondContact OE1-NE 3.47Å; E347-R350 IonicContact OE1-NH2 3.26Å; E347-R350 PolarHBondContact OE1-NH2 3.09Å; E347-R350 IonicContact OE2-CZ 3.49Å; E347-R350 IonicContact OE2-NE 2.82Å; E347-R350 PolarHBondContact OE2-NE 2.77Å; E347-R350 IonicContact OE2-NH2 3.43Å; E347-R350 PolarHBondContact OE2-NH2 3.48Å; N348-R350 PolarHBondContact O-N 3.03Å; N348-R350 VanDerWaalsContact O-N 3.14Å; R350-G352 PolarHBondContact O-N 3.02Å
351	G	97.7	Very high	97.8	Very high	67 Å²	67	39.3 Å²	39.3	69%	0.691	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	10.4	-177.5	0	0	0	0	0	114.8	N348	N348-G351 PolarHBondContact O-N 3.34Å
352	G	98.2	Very high	97.7	Very high	4 Å²	4	40.7 Å²	40.7	4%	0.041	21%	0.21	C	C	.	.			trans	-78.4	168.4	178.8	0	0	0	0	0	113.2	T299 E347 R350	T299-G352 WeakPolarHBondContact OG1-CA 3.34Å; E347-G352 WeakPolarHBondContact O-CA 3.38Å; E347-G352 PolarHBondContact O-N 2.89Å; R350-G352 PolarHBondContact O-N 3.02Å
353	K	98.7	Very high	97.6	Very high	71 Å²	71	38.1 Å²	38.1	31%	0.309	20%	0.196	S	C	.	.			trans	-128	137.5	178.5	-61.3	175.1	177.1	163.2	0	110.8	H279 F281 H296 I298 T299 L300	H279-K353 CarbonylContact O-C 3.51Å; H279-K353 WeakPolarHBondContact O-CA 3.44Å; F281-K353 HydrophobicContact CE2-CB 4.28Å; F281-K353 HydrophobicContact CE2-CD 4.11Å; F281-K353 HydrophobicContact CE2-CG 4.47Å; H296-K353 WeakPolarHBondContact O-CD 3.18Å; H296-K353 PolarHBondContact O-NZ 2.93Å; I298-K353 HydrophobicContact CD1-CB 4.07Å; T299-K353 PolarHBondContact N-O 3.25Å; T299-K353 PolarHBondContact OG1-N 3.28Å; T299-K353 PolarHBondContact OG1-O 2.92Å; L300-K353 PolarHBondContact N-O 3.08Å
354	T	98.8	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.2	-177.9	-51.6	0	0	0	0	111.4	H279 L280 F281 L300 V302 I344 I356	H279-T354 PolarHBondContact O-N 3.39Å; L280-T354 WeakPolarHBondContact CA-O 3.25Å; L280-T354 HydrophobicContact CD1-CG2 4.41Å; F281-T354 PolarHBondContact N-O 3.08Å; L300-T354 HydrophobicContact CB-CG2 4.24Å; L300-T354 HydrophobicContact CD2-CG2 3.8Å; L300-T354 HydrophobicContact CG-CG2 3.91Å; L300-T354 VanDerWaalsContact O-CA 3.31Å; L300-T354 WeakPolarHBondContact O-CA 3.08Å; V302-T354 HydrophobicContact CG2-CG2 3.72Å; I344-T354 HydrophobicContact CG1-CG2 4.08Å; T354-I356 HydrophobicContact CG2-CG1 3.99Å
355	L	98.7	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.4	164.8	-177.1	149	0	0	0	109.6	I273 F281 I288 L293 I298 L300 L301 V302 H357	I273-L355 HydrophobicContact CD1-CD1 4.01Å; I273-L355 HydrophobicContact CG1-CD1 4.42Å; I273-L355 HydrophobicContact CG2-CD1 3.71Å; F281-L355 HydrophobicContact CB-CB 4.21Å; F281-L355 HydrophobicContact CB-CD1 4.35Å; F281-L355 HydrophobicContact CB-CG 4.24Å; I288-L355 HydrophobicContact CD1-CD2 3.72Å; I288-L355 HydrophobicContact CG1-CD2 4.23Å; L293-L355 HydrophobicContact CD2-CD1 4.13Å; I298-L355 HydrophobicContact CD1-CB 4.05Å; I298-L355 HydrophobicContact CG1-CB 4.07Å; I298-L355 HydrophobicContact CG1-CD1 4.48Å; I298-L355 HydrophobicContact CG2-CB 3.83Å; L300-L355 PolarHBondContact O-N 2.86Å; L301-L355 HydrophobicContact CD1-CD2 3.66Å; V302-L355 PolarHBondContact N-O 3.31Å; L355-H357 HydrophobicContact CD2-CB 4.09Å
356	I	98.6	Very high	97.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.6	175.2	-45	-165.4	0	0	0	109.2	L280 F281 L282 S283 V302 I344 T354 L368 I369	L280-I356 HydrophobicContact CD1-CD1 3.88Å; L280-I356 HydrophobicContact CD1-CG1 3.91Å; F281-I356 PolarHBondContact O-N 3.48Å; L282-I356 WeakPolarHBondContact CA-O 3.04Å; S283-I356 PolarHBondContact N-O 2.97Å; S283-I356 VanDerWaalsContact N-O 3.16Å; V302-I356 HydrophobicContact CB-CB 4.31Å; V302-I356 HydrophobicContact CB-CD1 4.49Å; V302-I356 HydrophobicContact CB-CG1 4.02Å; V302-I356 HydrophobicContact CB-CG2 4.05Å; V302-I356 HydrophobicContact CG1-CG2 4.12Å; V302-I356 HydrophobicContact CG2-CG1 4.26Å; V302-I356 WeakPolarHBondContact O-CA 3.39Å; I344-I356 HydrophobicContact CD1-CD1 3.54Å; I344-I356 HydrophobicContact CG1-CD1 4.24Å; T354-I356 HydrophobicContact CG2-CG1 3.99Å; I356-L368 HydrophobicContact CG2-CB 4.38Å; I356-L368 HydrophobicContact CG2-CD1 4.27Å; I356-I369 HydrophobicContact CB-CD1 4.29Å; I356-I369 HydrophobicContact CB-CG1 4.32Å; I356-I369 HydrophobicContact CD1-CD1 4.5Å; I356-I369 HydrophobicContact CD1-CG1 3.78Å; I356-I369 HydrophobicContact CG1-CG1 4.29Å
357	H	98.1	Very high	97.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	162.5	178.4	77.2	101.2	0	0	0	112.8	S283 I288 V302 S303 A304 L355	S283-H357 WeakPolarHBondContact O-CA 3.21Å; S283-H357 WeakPolarHBondContact O-CB 3.29Å; I288-H357 HydrophobicContact CD1-CB 3.61Å; V302-H357 PolarHBondContact O-CD2 2.86Å; V302-H357 PolarHBondContact O-N 2.98Å; S303-H357 VanDerWaalsContact CB-NE2 3.35Å; S303-H357 WeakPolarHBondContact CB-NE2 3.28Å; S303-H357 PolarHBondContact OG-CE1 2.9Å; A304-H357 PolarHBondContact N-O 3.09Å; L355-H357 HydrophobicContact CD2-CB 4.09Å
358	C	97.1	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.			trans	-134.8	-157.8	161.4	62.6	0	0	0	0	106.9	S284 L285 A304 M305 G361 R364 S365	S284-C358 CarbonylContact C-O 3.2Å; L285-C358 PolarHBondContact N-O 2.88Å; A304-C358 HydrophobicContact CB-CB 4.44Å; A304-C358 WeakPolarHBondContact O-CA 3.47Å; A304-C358 WeakPolarHBondContact O-CB 3.4Å; M305-C358 HydrophobicContact CG-CB 4.43Å; C358-G361 PolarHBondContact SG-N 2.81Å; C358-R364 HydrophobicContact CB-CB 3.8Å; C358-S365 PolarHBondContact N-OG 3.14Å; C358-S365 PolarHBondContact SG-OG 3.39Å
359	M	94.8	Very high	97.7	Very high	79 Å²	79	30.7 Å²	30.7	39%	0.389	15%	0.154	S	C	.	.	S	Bend	trans	-57.9	-59.2	175.7	-166.7	64.7	157.2	0	0	111.9	S284 L285 C481	S284-M359 VanDerWaalsContact CB-O 3.31Å; S284-M359 WeakPolarHBondContact CB-O 3.44Å; L285-M359 HydrophobicContact CD2-SD 4.29Å; L285-M359 PolarHBondContact N-O 3.16Å; M359-C481 HydrophobicContact CE-CB 4.16Å
360	A	93.8	Very high	97.7	Very high	27 Å²	27	21.2 Å²	21.2	22%	0.223	12%	0.118	C	C	.	.	S	Bend	trans	-102.7	-13	-173.3	0	0	0	0	0	115	F270 S284 V362 R392	F270-A360 HydrophobicContact CD1-CB 4.32Å; F270-A360 VanDerWaalsContact CD1-O 3.29Å; F270-A360 WeakPolarHBondContact CD1-O 3.33Å; F270-A360 HydrophobicContact CE1-CB 3.9Å; S284-A360 VanDerWaalsContact CB-C 3.45Å; S284-A360 WeakPolarHBondContact CB-O 3.22Å; A360-V362 HydrophobicContact CB-CB 4.18Å; A360-V362 HydrophobicContact CB-CG2 3.81Å; A360-R392 PolarHBondContact O-NH2 2.81Å; A360-R392 VanDerWaalsContact O-NH2 3.14Å
361	G	96	Very high	97.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	69.3	34.4	-172.4	0	0	0	0	0	113.5	S283 C358 R392	S283-G361 WeakPolarHBondContact O-CA 3.46Å; C358-G361 PolarHBondContact SG-N 2.81Å; G361-R392 PolarHBondContact O-NE 2.88Å
362	V	95.9	Very high	97.8	Very high	30 Å²	30	11.7 Å²	11.7	18%	0.182	6%	0.062	C	C	.	.	S	Bend	trans	-115.2	-53	-169.8	165	0	0	0	0	112	F270 A360 S366 C394 I395 Q396	F270-V362 HydrophobicContact CE1-CG2 4.01Å; A360-V362 HydrophobicContact CB-CB 4.18Å; A360-V362 HydrophobicContact CB-CG2 3.81Å; V362-S366 PolarHBondContact O-OG 2.82Å; V362-C394 HydrophobicContact CG2-CB 4.48Å; V362-I395 WeakPolarHBondContact O-CA 3.27Å; V362-Q396 HydrophobicContact CG1-CB 3.93Å; V362-Q396 CarbonylContact O-C 3.52Å; V362-Q396 VanDerWaalsContact O-CA 3.23Å; V362-Q396 WeakPolarHBondContact O-CA 3.42Å
363	S	97.7	Very high	97.9	Very high	5 Å²	5	11.6 Å²	11.6	4%	0.035	6%	0.06	C	C	.	.	S	Bend	trans	-115.8	-75	-167.6	171.4	0	0	0	0	113.1	D327 S365 S366 T367 Q396 N398 F401	D327-S363 WeakPolarHBondContact OD1-CB 3.42Å; D327-S363 PolarHBondContact OD1-OG 3.14Å; S363-S365 PolarHBondContact O-N 2.99Å; S363-S366 PolarHBondContact O-N 3.36Å; S363-S366 PolarHBondContact O-OG 3.29Å; S363-T367 WeakPolarHBondContact O-CB 3.43Å; S363-T367 PolarHBondContact O-N 2.8Å; S363-T367 PolarHBondContact O-OG1 3.05Å; S363-Q396 WeakPolarHBondContact CA-O 3.31Å; S363-Q396 WeakPolarHBondContact CB-O 3.34Å; S363-N398 PolarHBondContact OG-N 2.97Å; S363-N398 VanDerWaalsContact OG-N 3.15Å; S363-F401 VanDerWaalsContact OG-CD2 3.32Å; S363-F401 WeakPolarHBondContact OG-CD2 3.31Å; S363-F401 WeakPolarHBondContact OG-CE2 3.49Å
364	R	98.6	Very high	97.8	Very high	23 Å²	23	8.5 Å²	8.5	9%	0.087	5%	0.047	C	C	.	.	H	α-helix	trans	-51.4	-52.8	-179.2	-78.9	169.9	-76.8	-171.9	-4.9	114.3	A304 V325 E326 D327 L333 C358 T367 L368 F401	A304-R364 HydrophobicContact CB-CB 3.92Å; A304-R364 WeakPolarHBondContact O-CD 3.5Å; V325-R364 HydrophobicContact CG2-CG 4.05Å; V325-R364 VanDerWaalsContact O-CD 3.26Å; V325-R364 WeakPolarHBondContact O-CD 3.35Å; V325-R364 PolarHBondContact O-NH1 3.39Å; E326-R364 WeakPolarHBondContact O-CD 3.38Å; D327-R364 HydrophobicContact CB-CG 4.45Å; D327-R364 IonicContact OD2-CZ 3.53Å; D327-R364 VanDerWaalsContact OD2-CZ 3.25Å; D327-R364 IonicContact OD2-NE 3.3Å; D327-R364 PolarHBondContact OD2-NE 2.85Å; D327-R364 IonicContact OD2-NH2 2.69Å; D327-R364 PolarHBondContact OD2-NH2 2.83Å; L333-R364 HydrophobicContact CD2-CB 4.4Å; L333-R364 HydrophobicContact CD2-CG 4.42Å; C358-R364 HydrophobicContact CB-CB 3.8Å; R364-T367 WeakPolarHBondContact O-CB 3.31Å; R364-T367 PolarHBondContact O-N 3.37Å; R364-L368 PolarHBondContact O-N 3.35Å; R364-F401 HydrophobicContact CB-CE2 4.35Å; R364-F401 HydrophobicContact CG-CE2 3.57Å; R364-F401 HydrophobicContact CG-CZ 3.81Å
365	S	98.6	Very high	97.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-74.5	-31.3	-175.4	52.5	0	0	0	0	113.8	L282 C358 S363 I369	L282-S365 VanDerWaalsContact CD1-OG 3.28Å; L282-S365 WeakPolarHBondContact CD1-OG 3.36Å; C358-S365 PolarHBondContact N-OG 3.14Å; C358-S365 PolarHBondContact SG-OG 3.39Å; S363-S365 PolarHBondContact O-N 2.99Å; S365-I369 WeakPolarHBondContact O-CG1 3.33Å; S365-I369 PolarHBondContact O-N 3.3Å
366	S	98.4	Very high	97.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.7	-41.6	172.9	65.1	0	0	0	0	110.6	V362 S363 L368 I369 L370 I395	V362-S366 PolarHBondContact O-OG 2.82Å; S363-S366 PolarHBondContact O-N 3.36Å; S363-S366 PolarHBondContact O-OG 3.29Å; S366-L368 VanDerWaalsContact C-N 3.33Å; S366-L368 PolarHBondContact O-N 3.48Å; S366-I369 WeakPolarHBondContact O-CA 3.5Å; S366-I369 WeakPolarHBondContact O-CB 3.13Å; S366-I369 PolarHBondContact O-N 2.97Å; S366-L370 WeakPolarHBondContact O-CG 3.26Å; S366-L370 PolarHBondContact O-N 2.72Å; S366-I395 VanDerWaalsContact CB-CG2 3.47Å
367	T	98.8	Very high	97.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-53.7	-46.8	175.1	-54.7	0	0	0	0	111.9	L333 F337 S363 R364 I369 L370 A371 F401 L405	L333-T367 HydrophobicContact CD2-CG2 3.93Å; F337-T367 HydrophobicContact CE1-CG2 3.71Å; F337-T367 HydrophobicContact CZ-CG2 3.72Å; S363-T367 WeakPolarHBondContact O-CB 3.43Å; S363-T367 PolarHBondContact O-N 2.8Å; S363-T367 PolarHBondContact O-OG1 3.05Å; R364-T367 WeakPolarHBondContact O-CB 3.31Å; R364-T367 PolarHBondContact O-N 3.37Å; T367-I369 VanDerWaalsContact C-N 3.31Å; T367-I369 PolarHBondContact O-N 2.81Å; T367-L370 PolarHBondContact O-N 3.32Å; T367-A371 PolarHBondContact O-N 3.18Å; T367-F401 HydrophobicContact CG2-CB 3.78Å; T367-F401 HydrophobicContact CG2-CG 4.16Å; T367-L405 HydrophobicContact CG2-CD1 3.88Å; T367-L405 HydrophobicContact CG2-CD2 4.05Å; T367-L405 HydrophobicContact CG2-CG 3.87Å
368	L	98.9	Very high	97.4	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-63.7	-33.6	176.1	-69.9	176	0	0	0	113.2	V302 A304 V323 L333 F337 V340 I356 R364 S366 Y372	V302-L368 HydrophobicContact CG1-CD1 4.36Å; A304-L368 HydrophobicContact CB-CD1 3.74Å; V323-L368 HydrophobicContact CG2-CD1 4.4Å; L333-L368 HydrophobicContact CD1-CD1 4.37Å; L333-L368 HydrophobicContact CD1-CD2 3.78Å; L333-L368 HydrophobicContact CD1-CG 4.12Å; L333-L368 HydrophobicContact CD2-CG 4.42Å; L333-L368 HydrophobicContact CG-CD2 4.1Å; L333-L368 HydrophobicContact CG-CG 4.43Å; F337-L368 HydrophobicContact CD1-CD2 4.07Å; F337-L368 HydrophobicContact CE1-CD2 4.47Å; V340-L368 HydrophobicContact CB-CD2 4.31Å; V340-L368 HydrophobicContact CG1-CB 4.44Å; V340-L368 HydrophobicContact CG1-CD1 4.37Å; V340-L368 HydrophobicContact CG1-CD2 4.27Å; V340-L368 HydrophobicContact CG2-CD2 4.34Å; I356-L368 HydrophobicContact CG2-CB 4.38Å; I356-L368 HydrophobicContact CG2-CD1 4.27Å; R364-L368 PolarHBondContact O-N 3.35Å; S366-L368 VanDerWaalsContact C-N 3.33Å; S366-L368 PolarHBondContact O-N 3.48Å; L368-Y372 PolarHBondContact O-N 3.16Å; L368-Y372 VanDerWaalsContact O-N 3.08Å
369	I	98.8	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-70.9	-40.2	175.1	-70.2	-177.9	0	0	0	111.4	I276 L280 L282 I356 S365 S366 T367 Y372 L373 V388	I276-I369 HydrophobicContact CG1-CD1 4.14Å; I276-I369 HydrophobicContact CG2-CG2 4.19Å; L280-I369 HydrophobicContact CD1-CD1 4.43Å; L280-I369 HydrophobicContact CD1-CG1 4.38Å; L280-I369 HydrophobicContact CD2-CB 4.47Å; L280-I369 HydrophobicContact CD2-CD1 4.37Å; L280-I369 HydrophobicContact CD2-CG1 4.1Å; L280-I369 HydrophobicContact CD2-CG2 3.9Å; L280-I369 HydrophobicContact CG-CD1 4.25Å; L280-I369 HydrophobicContact CG-CG1 4.39Å; L282-I369 HydrophobicContact CB-CD1 3.61Å; L282-I369 HydrophobicContact CD1-CD1 3.9Å; L282-I369 HydrophobicContact CD2-CD1 4.2Å; L282-I369 HydrophobicContact CG-CD1 4.09Å; I356-I369 HydrophobicContact CB-CD1 4.29Å; I356-I369 HydrophobicContact CB-CG1 4.32Å; I356-I369 HydrophobicContact CD1-CD1 4.5Å; I356-I369 HydrophobicContact CD1-CG1 3.78Å; I356-I369 HydrophobicContact CG1-CG1 4.29Å; S365-I369 WeakPolarHBondContact O-CG1 3.33Å; S365-I369 PolarHBondContact O-N 3.3Å; S366-I369 WeakPolarHBondContact O-CA 3.5Å; S366-I369 WeakPolarHBondContact O-CB 3.13Å; S366-I369 PolarHBondContact O-N 2.97Å; T367-I369 VanDerWaalsContact C-N 3.31Å; T367-I369 PolarHBondContact O-N 2.81Å; I369-Y372 PolarHBondContact O-N 3.4Å; I369-L373 HydrophobicContact CG2-CD1 3.93Å; I369-L373 HydrophobicContact CG2-CG 4.29Å; I369-L373 WeakPolarHBondContact O-CG 3.42Å; I369-L373 PolarHBondContact O-N 3.38Å; I369-V388 HydrophobicContact CG2-CG2 3.71Å
370	L	98.7	Very high	97.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-43.8	176.3	-62.6	173.1	0	0	0	111.1	S366 T367 Y372 L373 M374 L381 A384 Y385 V388 P397 L405	S366-L370 WeakPolarHBondContact O-CG 3.26Å; S366-L370 PolarHBondContact O-N 2.72Å; T367-L370 PolarHBondContact O-N 3.32Å; L370-Y372 PolarHBondContact O-N 3Å; L370-L373 PolarHBondContact O-N 3.33Å; L370-M374 WeakPolarHBondContact O-CE 3.43Å; L370-M374 WeakPolarHBondContact O-CG 3.26Å; L370-M374 PolarHBondContact O-N 3.33Å; L370-M374 VanDerWaalsContact O-N 3.08Å; L370-L381 HydrophobicContact CB-CD1 4.31Å; L370-A384 VanDerWaalsContact CD2-C 3.41Å; L370-A384 HydrophobicContact CD2-CB 3.97Å; L370-A384 WeakPolarHBondContact CD2-O 3.44Å; L370-Y385 HydrophobicContact CD1-CD2 4.17Å; L370-Y385 VanDerWaalsContact CD2-CA 3.49Å; L370-V388 HydrophobicContact CD2-CB 4.44Å; L370-V388 HydrophobicContact CD2-CG2 4.19Å; L370-P397 HydrophobicContact CD1-CG 3.99Å; L370-L405 HydrophobicContact CB-CD1 4.3Å; L370-L405 HydrophobicContact CB-CD2 3.88Å; L370-L405 HydrophobicContact CD1-CD1 3.79Å
371	A	98.8	Very high	97.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-57.4	-46.6	172.3	0	0	0	0	0	112.1	F337 T367 R375 L405 Y408	F337-A371 HydrophobicContact CB-CB 3.98Å; F337-A371 HydrophobicContact CD1-CB 3.8Å; F337-A371 HydrophobicContact CD2-CB 3.97Å; F337-A371 HydrophobicContact CE1-CB 4.22Å; F337-A371 HydrophobicContact CE2-CB 4.38Å; F337-A371 HydrophobicContact CG-CB 3.66Å; F337-A371 HydrophobicContact CZ-CB 4.5Å; T367-A371 PolarHBondContact O-N 3.18Å; A371-R375 WeakPolarHBondContact O-CB 3.37Å; A371-R375 PolarHBondContact O-N 2.88Å; A371-R375 VanDerWaalsContact O-N 3.09Å; A371-L405 HydrophobicContact CB-CD2 4.37Å; A371-Y408 HydrophobicContact CB-CD1 4.11Å; A371-Y408 HydrophobicContact CB-CE1 3.77Å
372	Y	98.8	Very high	97.7	Very high	6 Å²	6	23.1 Å²	23.1	2%	0.024	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-46	177.4	168.5	-99.9	0	0	0	113.2	H279 L280 S341 I344 A345 L368 I369 L370 R375 H376 T377	H279-Y372 AromaticContact NE2-CE1 3.87Å; H279-Y372 AromaticContact NE2-CZ 3.65Å; H279-Y372 PolarHBondContact NE2-OH 3.12Å; L280-Y372 HydrophobicContact CD2-CD1 3.5Å; L280-Y372 VanDerWaalsContact CD2-CD1 3.5Å; L280-Y372 HydrophobicContact CD2-CE1 3.82Å; L280-Y372 HydrophobicContact CD2-CG 4.48Å; S341-Y372 WeakPolarHBondContact O-CD2 3.48Å; S341-Y372 WeakPolarHBondContact OG-CA 3.49Å; S341-Y372 PolarHBondContact OG-N 3.04Å; I344-Y372 HydrophobicContact CB-CD2 3.68Å; I344-Y372 HydrophobicContact CB-CE2 3.76Å; I344-Y372 HydrophobicContact CB-CG 4.32Å; I344-Y372 HydrophobicContact CD1-CD2 3.9Å; I344-Y372 HydrophobicContact CD1-CG 3.86Å; I344-Y372 HydrophobicContact CG1-CD2 4.43Å; I344-Y372 HydrophobicContact CG2-CD1 4.22Å; I344-Y372 HydrophobicContact CG2-CD2 3.69Å; I344-Y372 HydrophobicContact CG2-CE1 4.02Å; I344-Y372 HydrophobicContact CG2-CE2 3.46Å; I344-Y372 VanDerWaalsContact CG2-CE2 3.46Å; I344-Y372 HydrophobicContact CG2-CG 4.07Å; A345-Y372 HydrophobicContact CB-CE2 4.27Å; L368-Y372 PolarHBondContact O-N 3.16Å; L368-Y372 VanDerWaalsContact O-N 3.08Å; I369-Y372 PolarHBondContact O-N 3.4Å; L370-Y372 PolarHBondContact O-N 3Å; Y372-R375 PolarHBondContact O-N 3.37Å; Y372-H376 HydrophobicContact CD2-CB 4.05Å; Y372-H376 AromaticContact CD2-CD2 3.8Å; Y372-H376 HydrophobicContact CE2-CB 3.51Å; Y372-H376 AromaticContact CE2-CD2 3.82Å; Y372-H376 AromaticContact CE2-CG 3.82Å; Y372-H376 PolarHBondContact O-N 2.89Å; Y372-T377 HydrophobicContact CE1-CG2 4.45Å
373	L	98.6	Very high	97.7	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-66	-39.4	-178.4	-69.3	173.4	0	0	0	112.1	I276 I369 L370 T377 M379 A384 V388	I276-L373 HydrophobicContact CG2-CD1 4.4Å; I369-L373 HydrophobicContact CG2-CD1 3.93Å; I369-L373 HydrophobicContact CG2-CG 4.29Å; I369-L373 WeakPolarHBondContact O-CG 3.42Å; I369-L373 PolarHBondContact O-N 3.38Å; L370-L373 PolarHBondContact O-N 3.33Å; L373-T377 WeakPolarHBondContact CA-OG1 3.3Å; L373-T377 HydrophobicContact CD2-CG2 4.06Å; L373-T377 WeakPolarHBondContact CD2-OG1 3.45Å; L373-T377 CarbonylContact O-C 3.54Å; L373-T377 WeakPolarHBondContact O-CA 3.16Å; L373-T377 PolarHBondContact O-N 2.97Å; L373-T377 PolarHBondContact O-OG1 3.03Å; L373-M379 HydrophobicContact CB-SD 3.97Å; L373-M379 HydrophobicContact CD1-SD 4.18Å; L373-M379 HydrophobicContact CD2-SD 4.21Å; L373-M379 HydrophobicContact CG-SD 4.34Å; L373-A384 HydrophobicContact CB-CB 3.82Å; L373-A384 HydrophobicContact CD1-CB 4.16Å; L373-V388 HydrophobicContact CD1-CG2 3.53Å
374	M	98.3	Very high	97.7	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.03	13%	0.131	C	C	.	.	H	α-helix	trans	-63	-44.5	173.3	-71	-175.6	-73.4	0	0	112.2	L370 M379 L381 A384 L405 Y408 E409 L412	L370-M374 WeakPolarHBondContact O-CE 3.43Å; L370-M374 WeakPolarHBondContact O-CG 3.26Å; L370-M374 PolarHBondContact O-N 3.33Å; L370-M374 VanDerWaalsContact O-N 3.08Å; M374-M379 WeakPolarHBondContact CA-O 3.25Å; M374-L381 HydrophobicContact CE-CD1 3.76Å; M374-L381 HydrophobicContact SD-CB 3.62Å; M374-L381 HydrophobicContact SD-CD1 3.88Å; M374-L381 HydrophobicContact SD-CG 4.28Å; M374-A384 HydrophobicContact CG-CB 4.43Å; M374-L405 HydrophobicContact CE-CD2 3.67Å; M374-Y408 HydrophobicContact CE-CD1 3.95Å; M374-E409 HydrophobicContact SD-CB 3.75Å; M374-E409 HydrophobicContact SD-CG 4.02Å; M374-L412 HydrophobicContact CB-CD1 3.98Å
375	R	98.1	Very high	97.6	Very high	87 Å²	87	25.4 Å²	25.4	33%	0.328	13%	0.129	S	C	.	.	H	α-helix	trans	-75	-36.7	-176.4	-176.5	167.2	164.5	109.3	7.1	113.9	D338 D342 A371 Y372 Y408 L412	D338-R375 VanDerWaalsContact CG-NH1 3.3Å; D338-R375 IonicContact OD1-CZ 3.77Å; D338-R375 IonicContact OD1-NE 2.76Å; D338-R375 IonicContact OD1-NH1 2.74Å; D338-R375 PolarHBondContact OD1-NH1 2.96Å; D338-R375 IonicContact OD2-NH1 3.04Å; D342-R375 IonicContact OD1-CZ 3.27Å; D342-R375 VanDerWaalsContact OD1-CZ 3.3Å; D342-R375 IonicContact OD1-NE 3.88Å; D342-R375 PolarHBondContact OD1-NE 3.02Å; D342-R375 IonicContact OD1-NH2 3.83Å; D342-R375 PolarHBondContact OD1-NH2 3.3Å; D342-R375 IonicContact OD2-CZ 3.5Å; D342-R375 IonicContact OD2-NE 2.81Å; D342-R375 IonicContact OD2-NH2 2.87Å; D342-R375 PolarHBondContact OD2-NH2 3.06Å; A371-R375 WeakPolarHBondContact O-CB 3.37Å; A371-R375 PolarHBondContact O-N 2.88Å; A371-R375 VanDerWaalsContact O-N 3.09Å; Y372-R375 PolarHBondContact O-N 3.37Å; R375-Y408 WeakPolarHBondContact CD-OH 3.41Å; R375-L412 HydrophobicContact CB-CD1 4.03Å; R375-L412 HydrophobicContact CG-CD2 4.4Å
376	H	98.2	Very high	97.5	Very high	74 Å²	74	30.5 Å²	30.5	34%	0.343	15%	0.153	S	C	.	.	H	α-helix	trans	-120.4	-5.6	-169.2	-74.1	-76.5	0	0	0	115.8	D342 A345 Y372	D342-H376 IonicContact OD1-CE1 3.57Å; D342-H376 PolarHBondContact OD1-CE1 3.25Å; D342-H376 IonicContact OD1-NE2 3.39Å; D342-H376 PolarHBondContact OD1-NE2 3.35Å; A345-H376 WeakPolarHBondContact CB-CE1 3.32Å; A345-H376 WeakPolarHBondContact CB-ND1 3.48Å; Y372-H376 HydrophobicContact CD2-CB 4.05Å; Y372-H376 AromaticContact CD2-CD2 3.8Å; Y372-H376 HydrophobicContact CE2-CB 3.51Å; Y372-H376 AromaticContact CE2-CD2 3.82Å; Y372-H376 AromaticContact CE2-CG 3.82Å; Y372-H376 PolarHBondContact O-N 2.89Å
377	T	95.8	Very high	97.4	Very high	53 Å²	53	33.3 Å²	33.3	33%	0.325	17%	0.166	S	C	.	.	S	Bend	trans	-126.5	17.3	175	67.7	0	0	0	0	114	Y372 L373 M379	Y372-T377 HydrophobicContact CE1-CG2 4.45Å; L373-T377 WeakPolarHBondContact CA-OG1 3.3Å; L373-T377 HydrophobicContact CD2-CG2 4.06Å; L373-T377 WeakPolarHBondContact CD2-OG1 3.45Å; L373-T377 CarbonylContact O-C 3.54Å; L373-T377 WeakPolarHBondContact O-CA 3.16Å; L373-T377 PolarHBondContact O-N 2.97Å; L373-T377 PolarHBondContact O-OG1 3.03Å; T377-M379 PolarHBondContact O-N 2.81Å
378	N	93.3	Very high	97.4	Very high	125 Å²	125	33.3 Å²	33.3	67%	0.668	17%	0.166	S	C	*	.			trans	52.1	24.8	177.2	-167.8	27.1	0	0	0	115.1	R413	N378-R413 PolarHBondContact OD1-NH1 3.05Å
379	M	97.3	Very high	97.2	Very high	46 Å²	46	36.7 Å²	36.7	23%	0.227	18%	0.179	C	C	.	.			trans	-77.5	149.1	174.4	-74.4	175.7	172.3	0	0	110.2	L373 M374 T377 D383 A384 H387	L373-M379 HydrophobicContact CB-SD 3.97Å; L373-M379 HydrophobicContact CD1-SD 4.18Å; L373-M379 HydrophobicContact CD2-SD 4.21Å; L373-M379 HydrophobicContact CG-SD 4.34Å; M374-M379 WeakPolarHBondContact CA-O 3.25Å; T377-M379 PolarHBondContact O-N 2.81Å; M379-D383 HydrophobicContact CB-CB 4.04Å; M379-D383 HydrophobicContact CG-CB 4.18Å; M379-A384 HydrophobicContact CB-CB 3.99Å; M379-A384 HydrophobicContact SD-CB 4.26Å; M379-H387 HydrophobicContact CE-CB 4.4Å
380	S	97.1	Very high	96.9	Very high	15 Å²	15	39.6 Å²	39.6	11%	0.105	20%	0.199	C	C	.	.			trans	-71.9	168.7	158.2	72.8	0	0	0	0	110.4	A382 D383 A384 E409	S380-A382 PolarHBondContact O-N 2.57Å; S380-A382 PolarHBondContact OG-N 2.67Å; S380-D383 VanDerWaalsContact CB-OD2 3.25Å; S380-D383 WeakPolarHBondContact CB-OD2 3.45Å; S380-D383 PolarHBondContact N-OD2 2.72Å; S380-D383 VanDerWaalsContact N-OD2 3.08Å; S380-D383 PolarHBondContact O-N 2.58Å; S380-D383 PolarHBondContact OG-N 2.73Å; S380-D383 PolarHBondContact OG-OD2 3.44Å; S380-A384 VanDerWaalsContact O-CB 3.26Å; S380-A384 WeakPolarHBondContact O-CB 2.93Å; S380-A384 PolarHBondContact O-N 2.94Å; S380-E409 WeakPolarHBondContact CA-OE1 3.36Å; S380-E409 WeakPolarHBondContact CB-OE1 3.47Å
381	L	97.2	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-37	172.1	-176.8	58.1	0	0	0	111.3	L370 M374 Y385 W402 L405 L406 E409 S417 I418	L370-L381 HydrophobicContact CB-CD1 4.31Å; M374-L381 HydrophobicContact CE-CD1 3.76Å; M374-L381 HydrophobicContact SD-CB 3.62Å; M374-L381 HydrophobicContact SD-CD1 3.88Å; M374-L381 HydrophobicContact SD-CG 4.28Å; L381-Y385 WeakPolarHBondContact O-CB 3.47Å; L381-Y385 PolarHBondContact O-N 3.23Å; L381-W402 HydrophobicContact CD1-CZ3 4.39Å; L381-W402 HydrophobicContact CD2-CE3 4.36Å; L381-W402 HydrophobicContact CD2-CZ3 4.17Å; L381-W402 HydrophobicContact CG-CZ3 4.28Å; L381-L405 HydrophobicContact CD1-CB 4.02Å; L381-L405 HydrophobicContact CD1-CD1 4.2Å; L381-L405 HydrophobicContact CD1-CD2 4.32Å; L381-L405 HydrophobicContact CD1-CG 4.42Å; L381-L405 HydrophobicContact CD2-CB 3.99Å; L381-L406 HydrophobicContact CD2-CD2 3.71Å; L381-L406 HydrophobicContact CD2-CG 3.94Å; L381-E409 HydrophobicContact CB-CB 4.4Å; L381-E409 VanDerWaalsContact CB-CD 3.48Å; L381-E409 HydrophobicContact CB-CG 4.32Å; L381-E409 WeakPolarHBondContact CB-OE2 3.28Å; L381-E409 PolarHBondContact N-OE1 2.85Å; L381-S417 PolarHBondContact N-OG 2.95Å; L381-I418 HydrophobicContact CB-CD1 4.42Å; L381-I418 HydrophobicContact CD2-CD1 4.23Å; L381-I418 HydrophobicContact CG-CD1 3.85Å; L381-I418 HydrophobicContact CG-CG1 4.42Å
382	A	95.7	Very high	96.5	Very high	13 Å²	13	41.4 Å²	41.4	11%	0.107	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-50.4	173.8	0	0	0	0	0	111.9	S380 Y385 Q386 S417 I418	S380-A382 PolarHBondContact O-N 2.57Å; S380-A382 PolarHBondContact OG-N 2.67Å; A382-Y385 PolarHBondContact O-N 3.1Å; A382-Q386 VanDerWaalsContact O-CB 3.31Å; A382-Q386 WeakPolarHBondContact O-CB 3.35Å; A382-Q386 PolarHBondContact O-N 3.15Å; A382-S417 PolarHBondContact N-OG 2.69Å; A382-I418 HydrophobicContact CB-CD1 4.37Å; A382-I418 HydrophobicContact CB-CG1 3.88Å
383	D	96	Very high	96.1	Very high	92 Å²	92	43.3 Å²	43.3	49%	0.492	22%	0.221	S	C	.	.	H	α-helix	trans	-64.1	-46.7	179.4	-55.8	-53.8	0	0	0	111.4	M379 S380 Y385 Q386 H387	M379-D383 HydrophobicContact CB-CB 4.04Å; M379-D383 HydrophobicContact CG-CB 4.18Å; S380-D383 VanDerWaalsContact CB-OD2 3.25Å; S380-D383 WeakPolarHBondContact CB-OD2 3.45Å; S380-D383 PolarHBondContact N-OD2 2.72Å; S380-D383 VanDerWaalsContact N-OD2 3.08Å; S380-D383 PolarHBondContact O-N 2.58Å; S380-D383 PolarHBondContact OG-N 2.73Å; S380-D383 PolarHBondContact OG-OD2 3.44Å; D383-Y385 VanDerWaalsContact C-N 3.33Å; D383-Y385 PolarHBondContact O-N 2.94Å; D383-Q386 PolarHBondContact O-N 3.36Å; D383-H387 WeakPolarHBondContact O-CB 2.97Å; D383-H387 PolarHBondContact O-N 3.08Å
384	A	98.1	Very high	95.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-42.2	179.1	0	0	0	0	0	111.4	L370 L373 M374 M379 S380 V388	L370-A384 VanDerWaalsContact CD2-C 3.41Å; L370-A384 HydrophobicContact CD2-CB 3.97Å; L370-A384 WeakPolarHBondContact CD2-O 3.44Å; L373-A384 HydrophobicContact CB-CB 3.82Å; L373-A384 HydrophobicContact CD1-CB 4.16Å; M374-A384 HydrophobicContact CG-CB 4.43Å; M379-A384 HydrophobicContact CB-CB 3.99Å; M379-A384 HydrophobicContact SD-CB 4.26Å; S380-A384 VanDerWaalsContact O-CB 3.26Å; S380-A384 WeakPolarHBondContact O-CB 2.93Å; S380-A384 PolarHBondContact O-N 2.94Å; A384-V388 VanDerWaalsContact O-CG2 3.28Å; A384-V388 WeakPolarHBondContact O-CG2 3.38Å; A384-V388 PolarHBondContact O-N 2.99Å; A384-V388 VanDerWaalsContact O-N 3.09Å
385	Y	97.2	Very high	95.5	Very high	14 Å²	14	43 Å²	43	6%	0.055	22%	0.22	C	C	.	.	H	α-helix	trans	-66.7	-49.1	176.4	179.9	-97.3	0	0	0	111.6	L370 L381 A382 D383 H387 V388 R389 I395 Q396 W402 L464	L370-Y385 HydrophobicContact CD1-CD2 4.17Å; L370-Y385 VanDerWaalsContact CD2-CA 3.49Å; L381-Y385 WeakPolarHBondContact O-CB 3.47Å; L381-Y385 PolarHBondContact O-N 3.23Å; A382-Y385 PolarHBondContact O-N 3.1Å; D383-Y385 VanDerWaalsContact C-N 3.33Å; D383-Y385 PolarHBondContact O-N 2.94Å; Y385-H387 VanDerWaalsContact C-N 3.32Å; Y385-H387 PolarHBondContact O-N 3.42Å; Y385-V388 PolarHBondContact O-N 3.29Å; Y385-R389 HydrophobicContact CD1-CB 4.37Å; Y385-R389 HydrophobicContact CE1-CB 4.14Å; Y385-R389 HydrophobicContact CE1-CG 4.13Å; Y385-R389 WeakPolarHBondContact O-CB 3.39Å; Y385-R389 PolarHBondContact O-N 3.37Å; Y385-I395 HydrophobicContact CD2-CD1 3.58Å; Y385-I395 HydrophobicContact CE2-CD1 3.59Å; Y385-I395 HydrophobicContact CE2-CG1 4.19Å; Y385-I395 HydrophobicContact CG-CD1 4.49Å; Y385-I395 PolarHBondContact OH-O 3.02Å; Y385-Q396 PolarHBondContact OH-OE1 3.02Å; Y385-W402 HydrophobicContact CD1-CH2 4.35Å; Y385-W402 AromaticContact CD2-CH2 3.35Å; Y385-W402 HydrophobicContact CD2-CH2 3.35Å; Y385-W402 AromaticContact CD2-CZ2 3.76Å; Y385-W402 HydrophobicContact CD2-CZ2 3.76Å; Y385-W402 HydrophobicContact CD2-CZ3 4.44Å; Y385-W402 AromaticContact CE2-CH2 3.61Å; Y385-W402 HydrophobicContact CE2-CH2 3.61Å; Y385-W402 AromaticContact CE2-CZ2 3.5Å; Y385-W402 HydrophobicContact CE2-CZ2 3.5Å; Y385-W402 AromaticContact CG-CH2 3.75Å; Y385-W402 HydrophobicContact CG-CH2 3.75Å; Y385-W402 HydrophobicContact CG-CZ2 4.48Å; Y385-L464 HydrophobicContact CD1-CD1 3.75Å; Y385-L464 HydrophobicContact CE1-CD1 4.19Å
386	Q	96	Very high	95.3	Very high	106 Å²	106	41 Å²	41	50%	0.495	21%	0.214	S	C	.	.	H	α-helix	trans	-62.6	-40.2	-179.4	-176.8	62.2	2.2	0	0	111.7	A382 D383 R389 S390	A382-Q386 VanDerWaalsContact O-CB 3.31Å; A382-Q386 WeakPolarHBondContact O-CB 3.35Å; A382-Q386 PolarHBondContact O-N 3.15Å; D383-Q386 PolarHBondContact O-N 3.36Å; Q386-R389 PolarHBondContact O-N 3.4Å; Q386-S390 WeakPolarHBondContact O-CB 3.11Å; Q386-S390 PolarHBondContact O-N 3.28Å
387	H	97	Very high	95.2	Very high	59 Å²	59	37.6 Å²	37.6	27%	0.273	20%	0.199	S	C	.	.	H	α-helix	trans	-57	-58.1	172.9	-179.7	69.8	0	0	0	111.5	I276 M379 D383 Y385 R389 S390 I391	I276-H387 PolarHBondContact O-NE2 2.77Å; M379-H387 HydrophobicContact CE-CB 4.4Å; D383-H387 WeakPolarHBondContact O-CB 2.97Å; D383-H387 PolarHBondContact O-N 3.08Å; Y385-H387 VanDerWaalsContact C-N 3.32Å; Y385-H387 PolarHBondContact O-N 3.42Å; H387-R389 VanDerWaalsContact C-N 3.33Å; H387-R389 PolarHBondContact O-N 2.65Å; H387-S390 PolarHBondContact O-N 2.75Å; H387-S390 PolarHBondContact O-OG 3.29Å; H387-I391 PolarHBondContact O-N 3.24Å
388	V	96.9	Very high	95.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-36.1	-178.3	-179.3	0	0	0	0	111.8	I276 L282 I369 L370 L373 A384 Y385 I391 R392 I395	I276-V388 HydrophobicContact CD1-CG1 4.06Å; I276-V388 HydrophobicContact CG2-CG2 3.97Å; L282-V388 HydrophobicContact CD2-CG1 3.92Å; I369-V388 HydrophobicContact CG2-CG2 3.71Å; L370-V388 HydrophobicContact CD2-CB 4.44Å; L370-V388 HydrophobicContact CD2-CG2 4.19Å; L373-V388 HydrophobicContact CD1-CG2 3.53Å; A384-V388 VanDerWaalsContact O-CG2 3.28Å; A384-V388 WeakPolarHBondContact O-CG2 3.38Å; A384-V388 PolarHBondContact O-N 2.99Å; A384-V388 VanDerWaalsContact O-N 3.09Å; Y385-V388 PolarHBondContact O-N 3.29Å; V388-I391 PolarHBondContact O-N 3.46Å; V388-R392 PolarHBondContact O-N 2.99Å; V388-I395 HydrophobicContact CB-CD1 3.76Å; V388-I395 HydrophobicContact CG1-CD1 3.58Å; V388-I395 HydrophobicContact CG1-CG1 4.06Å; V388-I395 HydrophobicContact CG1-CG2 4.14Å
389	R	95	Very high	95	Very high	72 Å²	72	32.7 Å²	32.7	27%	0.272	17%	0.174	S	C	.	.	H	α-helix	trans	-67.4	-34.7	178.3	-178	68.9	-169.8	-165.1	6.2	112.2	Y385 Q386 H387 I391 R392 P393 I395	Y385-R389 HydrophobicContact CD1-CB 4.37Å; Y385-R389 HydrophobicContact CE1-CB 4.14Å; Y385-R389 HydrophobicContact CE1-CG 4.13Å; Y385-R389 WeakPolarHBondContact O-CB 3.39Å; Y385-R389 PolarHBondContact O-N 3.37Å; Q386-R389 PolarHBondContact O-N 3.4Å; H387-R389 VanDerWaalsContact C-N 3.33Å; H387-R389 PolarHBondContact O-N 2.65Å; R389-I391 VanDerWaalsContact C-N 3.28Å; R389-I391 PolarHBondContact O-N 3.31Å; R389-R392 CarbonylContact O-C 3.41Å; R389-P393 PolarHBondContact NH1-O 3.34Å; R389-P393 PolarHBondContact NH2-O 2.97Å; R389-P393 WeakPolarHBondContact O-CA 3.37Å; R389-I395 HydrophobicContact CB-CD1 4.21Å; R389-I395 HydrophobicContact CB-CG1 4.1Å; R389-I395 WeakPolarHBondContact CD-O 3.04Å; R389-I395 PolarHBondContact NH1-O 2.55Å
390	S	94.1	Very high	94.9	Very high	61 Å²	61	30.5 Å²	30.5	43%	0.427	16%	0.163	S	C	.	.	H	α-helix	trans	-66	-30.9	174.8	77	0	0	0	0	112.8	Q386 H387	Q386-S390 WeakPolarHBondContact O-CB 3.11Å; Q386-S390 PolarHBondContact O-N 3.28Å; H387-S390 PolarHBondContact O-N 2.75Å; H387-S390 PolarHBondContact O-OG 3.29Å
391	I	94.9	Very high	94.9	Very high	37 Å²	37	29.8 Å²	29.8	19%	0.19	16%	0.158	C	C	.	.	H	α-helix	trans	-88.1	-42.8	179.6	-58.4	173.2	0	0	0	111.1	L169 A274 I276 H387 V388 R389	L169-I391 WeakPolarHBondContact CD1-O 3.44Å; A274-I391 HydrophobicContact CB-CG2 4.18Å; I276-I391 HydrophobicContact CD1-CB 4.31Å; I276-I391 HydrophobicContact CD1-CD1 4.48Å; I276-I391 HydrophobicContact CD1-CG2 4.06Å; I276-I391 WeakPolarHBondContact O-CD1 3.42Å; H387-I391 PolarHBondContact O-N 3.24Å; V388-I391 PolarHBondContact O-N 3.46Å; R389-I391 VanDerWaalsContact C-N 3.28Å; R389-I391 PolarHBondContact O-N 3.31Å
392	R	92.9	Very high	94.8	Very high	2 Å²	2	30 Å²	30	1%	0.008	16%	0.159	C	C	.	.	S	Bend	trans	-125.7	88.8	177.9	-171.9	169.6	178.4	74.9	1.5	110.7	M269 A274 L282 A360 G361 V388 R389 C394 I395	M269-R392 PolarHBondContact O-NH1 2.67Å; M269-R392 PolarHBondContact O-NH2 3.07Å; A274-R392 HydrophobicContact CB-CB 4.09Å; A274-R392 HydrophobicContact CB-CG 4.5Å; L282-R392 HydrophobicContact CD2-CB 4.46Å; A360-R392 PolarHBondContact O-NH2 2.81Å; A360-R392 VanDerWaalsContact O-NH2 3.14Å; G361-R392 PolarHBondContact O-NE 2.88Å; V388-R392 PolarHBondContact O-N 2.99Å; R389-R392 CarbonylContact O-C 3.41Å; R392-C394 PolarHBondContact O-N 2.97Å; R392-I395 HydrophobicContact CB-CG2 4.38Å; R392-I395 HydrophobicContact CG-CG2 4.32Å; R392-I395 PolarHBondContact O-N 3.32Å
393	P	90.8	Very high	94.8	Very high	45 Å²	45	34.5 Å²	34.5	29%	0.292	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	21.9	-175.4	-24.6	36.3	0	0	0	117.6	R389	R389-P393 PolarHBondContact NH1-O 3.34Å; R389-P393 PolarHBondContact NH2-O 2.97Å; R389-P393 WeakPolarHBondContact O-CA 3.37Å
394	C	90.6	Very high	94.9	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	1.2	173.3	61	0	0	0	0	114.9	M269 V362 R392	M269-C394 HydrophobicContact CE-CB 3.7Å; M269-C394 HydrophobicContact CG-CB 4.45Å; M269-C394 HydrophobicContact SD-CB 3.4Å; M269-C394 WeakPolarHBondContact SD-CB 3.09Å; V362-C394 HydrophobicContact CG2-CB 4.48Å; R392-C394 PolarHBondContact O-N 2.97Å
395	I	94.1	Very high	94.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.			trans	-71.7	140.8	168.6	67.8	134.4	0	0	0	110.7	L282 V362 S366 Y385 V388 R389 R392	L282-I395 HydrophobicContact CD2-CG2 3.79Å; V362-I395 WeakPolarHBondContact O-CA 3.27Å; S366-I395 VanDerWaalsContact CB-CG2 3.47Å; Y385-I395 HydrophobicContact CD2-CD1 3.58Å; Y385-I395 HydrophobicContact CE2-CD1 3.59Å; Y385-I395 HydrophobicContact CE2-CG1 4.19Å; Y385-I395 HydrophobicContact CG-CD1 4.49Å; Y385-I395 PolarHBondContact OH-O 3.02Å; V388-I395 HydrophobicContact CB-CD1 3.76Å; V388-I395 HydrophobicContact CG1-CD1 3.58Å; V388-I395 HydrophobicContact CG1-CG1 4.06Å; V388-I395 HydrophobicContact CG1-CG2 4.14Å; R389-I395 HydrophobicContact CB-CD1 4.21Å; R389-I395 HydrophobicContact CB-CG1 4.1Å; R389-I395 WeakPolarHBondContact CD-O 3.04Å; R389-I395 PolarHBondContact NH1-O 2.55Å; R392-I395 HydrophobicContact CB-CG2 4.38Å; R392-I395 HydrophobicContact CG-CG2 4.32Å; R392-I395 PolarHBondContact O-N 3.32Å
396	Q	94.2	Very high	94.8	Very high	46 Å²	46	30.4 Å²	30.4	22%	0.215	15%	0.151	C	C	.	.			cis	144.7	-2	-49.8	-79.3	82.3	12.3	0	0	120.2	V362 S363 Y385 L465	V362-Q396 HydrophobicContact CG1-CB 3.93Å; V362-Q396 CarbonylContact O-C 3.52Å; V362-Q396 VanDerWaalsContact O-CA 3.23Å; V362-Q396 WeakPolarHBondContact O-CA 3.42Å; S363-Q396 WeakPolarHBondContact CA-O 3.31Å; S363-Q396 WeakPolarHBondContact CB-O 3.34Å; Y385-Q396 PolarHBondContact OH-OE1 3.02Å; Q396-L465 VanDerWaalsContact NE2-CD2 3.33Å
397	P	95.9	Very high	94.9	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.019	14%	0.143	C	C	.	.			trans	-56.2	143.8	173.2	-24.5	33.4	0	0	0	113.6	L370 F401 W402 L405	L370-P397 HydrophobicContact CD1-CG 3.99Å; P397-F401 HydrophobicContact CB-CB 4.09Å; P397-W402 HydrophobicContact CB-CD2 4.36Å; P397-W402 HydrophobicContact CB-CG 4.31Å; P397-W402 HydrophobicContact CG-CZ2 4.28Å; P397-W402 PolarHBondContact O-NE1 2.95Å; P397-L405 HydrophobicContact CG-CD1 4.4Å
398	N	94.2	Very high	94.9	Very high	19 Å²	19	26 Å²	26	10%	0.102	13%	0.131	C	C	.	.			trans	-69.1	160.6	169.9	78.3	38.1	0	0	0	111.4	D327 I328 S363 G400 F401 W402	D327-N398 VanDerWaalsContact C-ND2 3.27Å; D327-N398 PolarHBondContact O-ND2 2.82Å; I328-N398 VanDerWaalsContact C-ND2 3.26Å; I328-N398 PolarHBondContact O-ND2 2.87Å; S363-N398 PolarHBondContact OG-N 2.97Å; S363-N398 VanDerWaalsContact OG-N 3.15Å; N398-G400 PolarHBondContact O-N 3.43Å; N398-G400 WeakPolarHBondContact OD1-CA 3.41Å; N398-G400 PolarHBondContact OD1-N 3.49Å; N398-F401 WeakPolarHBondContact ND2-CD2 3.29Å; N398-F401 VanDerWaalsContact ND2-CE2 3.26Å; N398-F401 WeakPolarHBondContact ND2-CE2 3.16Å; N398-F401 PolarHBondContact O-N 3.21Å; N398-F401 VanDerWaalsContact O-N 3.12Å; N398-F401 PolarHBondContact OD1-N 3.3Å; N398-W402 VanDerWaalsContact O-CD1 3.3Å; N398-W402 PolarHBondContact O-N 3.1Å
399	P	91.1	Very high	95	Very high	56 Å²	56	26.1 Å²	26.1	36%	0.364	13%	0.131	S	C	.	.	H	α-helix	trans	-63.5	-22.9	-174.7	-21	31.9	0	0	0	114.8	E329 R403	E329-P399 HydrophobicContact CG-CB 4.49Å; E329-P399 WeakPolarHBondContact OE1-CB 3.43Å; E329-P399 WeakPolarHBondContact OE1-CD 3.45Å; E329-P399 VanDerWaalsContact OE1-CG 3.31Å; E329-P399 WeakPolarHBondContact OE1-CG 3.39Å; P399-R403 WeakPolarHBondContact O-CG 3.34Å; P399-R403 PolarHBondContact O-N 2.84Å; P399-R403 VanDerWaalsContact O-N 3.12Å; P399-R403 PolarHBondContact O-NE 3.23Å
400	G	93.9	Very high	95.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-72.1	-41.4	172.4	0	0	0	0	0	113.3	E329 N398 W402 R403 Q404	E329-G400 PolarHBondContact OE2-N 3.11Å; N398-G400 PolarHBondContact O-N 3.43Å; N398-G400 WeakPolarHBondContact OD1-CA 3.41Å; N398-G400 PolarHBondContact OD1-N 3.49Å; G400-W402 VanDerWaalsContact C-N 3.33Å; G400-R403 VanDerWaalsContact CA-NH2 3.32Å; G400-R403 PolarHBondContact O-N 2.77Å; G400-Q404 WeakPolarHBondContact O-CG 3.4Å; G400-Q404 PolarHBondContact O-N 3.05Å; G400-Q404 PolarHBondContact O-NE2 2.94Å
401	F	97.1	Very high	95.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.5	-34.4	172.3	-63.4	-18.6	0	0	0	112	A331 L333 S363 R364 T367 P397 N398 Q404 L405	A331-F401 HydrophobicContact CB-CE1 4.11Å; A331-F401 HydrophobicContact CB-CZ 4.39Å; A331-F401 WeakPolarHBondContact O-CE1 3.45Å; L333-F401 HydrophobicContact CB-CD1 3.93Å; L333-F401 HydrophobicContact CB-CE1 3.68Å; L333-F401 HydrophobicContact CB-CZ 4.36Å; L333-F401 HydrophobicContact CD2-CD1 4.19Å; L333-F401 HydrophobicContact CD2-CD2 4.25Å; L333-F401 HydrophobicContact CD2-CE1 3.99Å; L333-F401 HydrophobicContact CD2-CE2 4.06Å; L333-F401 HydrophobicContact CD2-CG 4.34Å; L333-F401 HydrophobicContact CD2-CZ 3.94Å; S363-F401 VanDerWaalsContact OG-CD2 3.32Å; S363-F401 WeakPolarHBondContact OG-CD2 3.31Å; S363-F401 WeakPolarHBondContact OG-CE2 3.49Å; R364-F401 HydrophobicContact CB-CE2 4.35Å; R364-F401 HydrophobicContact CG-CE2 3.57Å; R364-F401 HydrophobicContact CG-CZ 3.81Å; T367-F401 HydrophobicContact CG2-CB 3.78Å; T367-F401 HydrophobicContact CG2-CG 4.16Å; P397-F401 HydrophobicContact CB-CB 4.09Å; N398-F401 WeakPolarHBondContact ND2-CD2 3.29Å; N398-F401 VanDerWaalsContact ND2-CE2 3.26Å; N398-F401 WeakPolarHBondContact ND2-CE2 3.16Å; N398-F401 PolarHBondContact O-N 3.21Å; N398-F401 VanDerWaalsContact O-N 3.12Å; N398-F401 PolarHBondContact OD1-N 3.3Å; F401-Q404 PolarHBondContact O-N 2.92Å; F401-L405 WeakPolarHBondContact O-CB 3.41Å; F401-L405 VanDerWaalsContact O-CG 3.26Å; F401-L405 WeakPolarHBondContact O-CG 3.34Å; F401-L405 PolarHBondContact O-N 3.19Å
402	W	96.2	Very high	95.3	Very high	5 Å²	5	30.6 Å²	30.6	2%	0.019	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-46.1	170.7	-82.5	114	0	0	0	112.8	L381 Y385 P397 N398 G400 L405 L406 I418 L420 L465	L381-W402 HydrophobicContact CD1-CZ3 4.39Å; L381-W402 HydrophobicContact CD2-CE3 4.36Å; L381-W402 HydrophobicContact CD2-CZ3 4.17Å; L381-W402 HydrophobicContact CG-CZ3 4.28Å; Y385-W402 HydrophobicContact CD1-CH2 4.35Å; Y385-W402 AromaticContact CD2-CH2 3.35Å; Y385-W402 HydrophobicContact CD2-CH2 3.35Å; Y385-W402 AromaticContact CD2-CZ2 3.76Å; Y385-W402 HydrophobicContact CD2-CZ2 3.76Å; Y385-W402 HydrophobicContact CD2-CZ3 4.44Å; Y385-W402 AromaticContact CE2-CH2 3.61Å; Y385-W402 HydrophobicContact CE2-CH2 3.61Å; Y385-W402 AromaticContact CE2-CZ2 3.5Å; Y385-W402 HydrophobicContact CE2-CZ2 3.5Å; Y385-W402 AromaticContact CG-CH2 3.75Å; Y385-W402 HydrophobicContact CG-CH2 3.75Å; Y385-W402 HydrophobicContact CG-CZ2 4.48Å; P397-W402 HydrophobicContact CB-CD2 4.36Å; P397-W402 HydrophobicContact CB-CG 4.31Å; P397-W402 HydrophobicContact CG-CZ2 4.28Å; P397-W402 PolarHBondContact O-NE1 2.95Å; N398-W402 VanDerWaalsContact O-CD1 3.3Å; N398-W402 PolarHBondContact O-N 3.1Å; G400-W402 VanDerWaalsContact C-N 3.33Å; W402-L405 HydrophobicContact CE3-CD1 4.4Å; W402-L405 PolarHBondContact O-N 3.01Å; W402-L406 WeakPolarHBondContact O-CD1 3.47Å; W402-L406 WeakPolarHBondContact O-CG 3.33Å; W402-L406 PolarHBondContact O-N 2.75Å; W402-I418 HydrophobicContact CH2-CD1 4.26Å; W402-I418 HydrophobicContact CZ3-CD1 3.84Å; W402-L420 HydrophobicContact CB-CD1 4.33Å; W402-L420 HydrophobicContact CB-CD2 4.13Å; W402-L420 HydrophobicContact CG-CD2 4.43Å; W402-L465 HydrophobicContact CD2-CD1 3.95Å; W402-L465 HydrophobicContact CE3-CD1 4.5Å; W402-L465 HydrophobicContact CG-CD1 4.22Å; W402-L465 HydrophobicContact CZ2-CD1 4.07Å; W402-L465 HydrophobicContact CZ2-CD2 4.18Å; W402-L465 HydrophobicContact CZ2-CG 4.46Å
403	R	95.3	Very high	95.4	Very high	107 Å²	107	35.4 Å²	35.4	40%	0.404	17%	0.166	S	C	.	.	H	α-helix	trans	-57.5	-49.4	173.6	-73	178.8	-78.2	115.6	-10.2	111.3	E329 P399 G400 L405 L406 E407 L420	E329-R403 IonicContact OE2-CZ 3.51Å; E329-R403 IonicContact OE2-NH2 3.54Å; E329-R403 PolarHBondContact OE2-NH2 2.88Å; P399-R403 WeakPolarHBondContact O-CG 3.34Å; P399-R403 PolarHBondContact O-N 2.84Å; P399-R403 VanDerWaalsContact O-N 3.12Å; P399-R403 PolarHBondContact O-NE 3.23Å; G400-R403 VanDerWaalsContact CA-NH2 3.32Å; G400-R403 PolarHBondContact O-N 2.77Å; R403-L405 VanDerWaalsContact C-N 3.32Å; R403-L405 PolarHBondContact O-N 3.3Å; R403-L406 PolarHBondContact O-N 3.12Å; R403-L406 VanDerWaalsContact O-N 3.16Å; R403-E407 VanDerWaalsContact O-CG 3.31Å; R403-E407 WeakPolarHBondContact O-CG 3.47Å; R403-E407 PolarHBondContact O-N 3.41Å; R403-L420 HydrophobicContact CG-CD1 4.04Å
404	Q	97.9	Very high	95.6	Very high	16 Å²	16	36.6 Å²	36.6	8%	0.075	19%	0.186	C	C	.	.	H	α-helix	trans	-60.2	-35.7	178.3	-74	171.1	54.6	0	0	113.9	A331 R334 F337 G400 F401 Y408	A331-Q404 PolarHBondContact O-NE2 2.91Å; A331-Q404 PolarHBondContact O-OE1 3.14Å; R334-Q404 HydrophobicContact CB-CB 4.07Å; R334-Q404 HydrophobicContact CB-CG 4.03Å; R334-Q404 PolarHBondContact NH1-O 3.36Å; F337-Q404 HydrophobicContact CE2-CB 4.37Å; F337-Q404 HydrophobicContact CZ-CB 4.23Å; G400-Q404 WeakPolarHBondContact O-CG 3.4Å; G400-Q404 PolarHBondContact O-N 3.05Å; G400-Q404 PolarHBondContact O-NE2 2.94Å; F401-Q404 PolarHBondContact O-N 2.92Å; Q404-Y408 WeakPolarHBondContact O-CB 3.22Å; Q404-Y408 PolarHBondContact O-N 2.91Å
405	L	97.8	Very high	95.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-70.3	-40.5	174.8	-76.7	166.9	0	0	0	112.2	F337 T367 L370 A371 M374 L381 P397 F401 W402 R403 Y408 E409	F337-L405 HydrophobicContact CE2-CD2 4.1Å; F337-L405 HydrophobicContact CE2-CG 4.49Å; F337-L405 HydrophobicContact CZ-CD2 3.93Å; F337-L405 HydrophobicContact CZ-CG 4.18Å; T367-L405 HydrophobicContact CG2-CD1 3.88Å; T367-L405 HydrophobicContact CG2-CD2 4.05Å; T367-L405 HydrophobicContact CG2-CG 3.87Å; L370-L405 HydrophobicContact CB-CD1 4.3Å; L370-L405 HydrophobicContact CB-CD2 3.88Å; L370-L405 HydrophobicContact CD1-CD1 3.79Å; A371-L405 HydrophobicContact CB-CD2 4.37Å; M374-L405 HydrophobicContact CE-CD2 3.67Å; L381-L405 HydrophobicContact CD1-CB 4.02Å; L381-L405 HydrophobicContact CD1-CD1 4.2Å; L381-L405 HydrophobicContact CD1-CD2 4.32Å; L381-L405 HydrophobicContact CD1-CG 4.42Å; L381-L405 HydrophobicContact CD2-CB 3.99Å; P397-L405 HydrophobicContact CG-CD1 4.4Å; F401-L405 WeakPolarHBondContact O-CB 3.41Å; F401-L405 VanDerWaalsContact O-CG 3.26Å; F401-L405 WeakPolarHBondContact O-CG 3.34Å; F401-L405 PolarHBondContact O-N 3.19Å; W402-L405 HydrophobicContact CE3-CD1 4.4Å; W402-L405 PolarHBondContact O-N 3.01Å; R403-L405 VanDerWaalsContact C-N 3.32Å; R403-L405 PolarHBondContact O-N 3.3Å; L405-Y408 CarbonylContact O-C 3.53Å; L405-Y408 WeakPolarHBondContact O-CA 3.43Å; L405-Y408 WeakPolarHBondContact O-CB 3.5Å; L405-Y408 PolarHBondContact O-N 3.17Å; L405-E409 PolarHBondContact O-N 3.08Å
406	L	96	Very high	95.5	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-44.2	178.4	-73.3	162	0	0	0	111.9	L381 W402 R403 Y408 E409 E410 R416 I418 L420	L381-L406 HydrophobicContact CD2-CD2 3.71Å; L381-L406 HydrophobicContact CD2-CG 3.94Å; W402-L406 WeakPolarHBondContact O-CD1 3.47Å; W402-L406 WeakPolarHBondContact O-CG 3.33Å; W402-L406 PolarHBondContact O-N 2.75Å; R403-L406 PolarHBondContact O-N 3.12Å; R403-L406 VanDerWaalsContact O-N 3.16Å; L406-Y408 PolarHBondContact O-N 3.27Å; L406-Y408 VanDerWaalsContact O-N 3.15Å; L406-E409 PolarHBondContact O-N 2.79Å; L406-E410 WeakPolarHBondContact O-CB 3.29Å; L406-E410 PolarHBondContact O-N 2.69Å; L406-R416 HydrophobicContact CD2-CB 4.24Å; L406-R416 HydrophobicContact CD2-CG 4.47Å; L406-I418 HydrophobicContact CD2-CB 4.16Å; L406-I418 WeakPolarHBondContact CD2-O 3.39Å; L406-L420 HydrophobicContact CD1-CD1 3.9Å; L406-L420 HydrophobicContact CD1-CD2 4.01Å; L406-L420 HydrophobicContact CD1-CG 3.57Å
407	E	97.2	Very high	95.4	Very high	70 Å²	70	44.4 Å²	44.4	33%	0.327	23%	0.229	S	C	.	.	H	α-helix	trans	-60.9	-17.5	169.5	-65.3	159.1	-154.6	0	0	112.7	R334 R403 K411	R334-E407 IonicContact CZ-OE2 3.8Å; R334-E407 IonicContact NE-OE2 2.72Å; R334-E407 VanDerWaalsContact NH1-CB 3.31Å; R334-E407 PolarHBondContact NH1-O 2.92Å; R334-E407 PolarHBondContact NH2-O 2.9Å; R403-E407 VanDerWaalsContact O-CG 3.31Å; R403-E407 WeakPolarHBondContact O-CG 3.47Å; R403-E407 PolarHBondContact O-N 3.41Å; E407-K411 WeakPolarHBondContact O-CB 3.48Å; E407-K411 PolarHBondContact O-N 3.04Å
408	Y	98.1	Very high	95	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-94.5	-41.5	-177.8	-169	-118.5	0	0	0	111.7	R334 F337 D338 A371 M374 R375 Q404 L405 L406 E410 K411 L412	R334-Y408 VanDerWaalsContact NH1-CA 3.26Å; F337-Y408 HydrophobicContact CB-CD2 4.36Å; F337-Y408 HydrophobicContact CB-CE1 4.12Å; F337-Y408 HydrophobicContact CB-CE2 3.84Å; F337-Y408 AromaticContact CD2-CD1 3.73Å; F337-Y408 HydrophobicContact CD2-CD1 3.73Å; F337-Y408 AromaticContact CD2-CD2 3.69Å; F337-Y408 HydrophobicContact CD2-CD2 3.69Å; F337-Y408 HydrophobicContact CD2-CE1 4.06Å; F337-Y408 HydrophobicContact CD2-CE2 4.04Å; F337-Y408 AromaticContact CD2-CG 3.51Å; F337-Y408 HydrophobicContact CD2-CG 3.51Å; F337-Y408 HydrophobicContact CE2-CD1 4.29Å; F337-Y408 HydrophobicContact CE2-CG 4.04Å; F337-Y408 HydrophobicContact CG-CE1 4.45Å; F337-Y408 HydrophobicContact CG-CE2 4.48Å; D338-Y408 VanDerWaalsContact OD1-CE2 3.25Å; D338-Y408 WeakPolarHBondContact OD1-CE2 3.43Å; D338-Y408 VanDerWaalsContact OD1-CZ 3.32Å; D338-Y408 PolarHBondContact OD1-OH 2.94Å; A371-Y408 HydrophobicContact CB-CD1 4.11Å; A371-Y408 HydrophobicContact CB-CE1 3.77Å; M374-Y408 HydrophobicContact CE-CD1 3.95Å; R375-Y408 WeakPolarHBondContact CD-OH 3.41Å; Q404-Y408 WeakPolarHBondContact O-CB 3.22Å; Q404-Y408 PolarHBondContact O-N 2.91Å; L405-Y408 CarbonylContact O-C 3.53Å; L405-Y408 WeakPolarHBondContact O-CA 3.43Å; L405-Y408 WeakPolarHBondContact O-CB 3.5Å; L405-Y408 PolarHBondContact O-N 3.17Å; L406-Y408 PolarHBondContact O-N 3.27Å; L406-Y408 VanDerWaalsContact O-N 3.15Å; Y408-E410 VanDerWaalsContact C-N 3.26Å; Y408-E410 PolarHBondContact O-N 3.41Å; Y408-K411 HydrophobicContact CD2-CD 4.23Å; Y408-K411 HydrophobicContact CE2-CD 4.38Å; Y408-K411 WeakPolarHBondContact O-CB 3.38Å; Y408-K411 PolarHBondContact O-N 3.29Å; Y408-L412 HydrophobicContact CD1-CD1 3.78Å; Y408-L412 HydrophobicContact CE1-CD1 3.55Å; Y408-L412 HydrophobicContact CE1-CG 4.43Å; Y408-L412 HydrophobicContact CG-CD1 4.4Å; Y408-L412 WeakPolarHBondContact O-CB 3.49Å; Y408-L412 VanDerWaalsContact O-CG 3.3Å; Y408-L412 WeakPolarHBondContact O-CG 3.28Å; Y408-L412 PolarHBondContact O-N 3.17Å
409	E	97.7	Very high	94.2	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.009	25%	0.252	C	S	.	.	H	α-helix	trans	-55.2	-46.1	166.4	-167.9	179.7	-152.4	0	0	110.5	M374 S380 L381 L405 L406 K411 L412 R413 S415 R416 S417	M374-E409 HydrophobicContact SD-CB 3.75Å; M374-E409 HydrophobicContact SD-CG 4.02Å; S380-E409 WeakPolarHBondContact CA-OE1 3.36Å; S380-E409 WeakPolarHBondContact CB-OE1 3.47Å; L381-E409 HydrophobicContact CB-CB 4.4Å; L381-E409 VanDerWaalsContact CB-CD 3.48Å; L381-E409 HydrophobicContact CB-CG 4.32Å; L381-E409 WeakPolarHBondContact CB-OE2 3.28Å; L381-E409 PolarHBondContact N-OE1 2.85Å; L405-E409 PolarHBondContact O-N 3.08Å; L406-E409 PolarHBondContact O-N 2.79Å; E409-K411 PolarHBondContact O-N 3.05Å; E409-L412 CarbonylContact O-C 3.57Å; E409-L412 PolarHBondContact O-N 3.2Å; E409-L412 VanDerWaalsContact O-N 3.09Å; E409-R413 HydrophobicContact CG-CG 4.41Å; E409-R413 WeakPolarHBondContact O-CB 3.26Å; E409-R413 PolarHBondContact O-N 3.22Å; E409-S415 CarbonylContact C-O 3.6Å; E409-R416 VanDerWaalsContact OE2-CA 3.31Å; E409-R416 WeakPolarHBondContact OE2-CA 3.48Å; E409-S417 VanDerWaalsContact CD-N 3.33Å; E409-S417 VanDerWaalsContact CD-OG 3.27Å; E409-S417 WeakPolarHBondContact OE1-CB 3.35Å; E409-S417 PolarHBondContact OE1-N 2.94Å; E409-S417 PolarHBondContact OE1-OG 3.04Å; E409-S417 PolarHBondContact OE2-N 3.38Å; E409-S417 PolarHBondContact OE2-OG 2.76Å
410	E	96.7	Very high	93.5	Very high	82 Å²	82	51.8 Å²	51.8	38%	0.383	25%	0.252	S	S	.	.	H	α-helix	trans	-62.1	-41.8	176.6	-171.8	169.3	-107.5	0	0	112.8	L406 Y408 L412 G414 R416	L406-E410 WeakPolarHBondContact O-CB 3.29Å; L406-E410 PolarHBondContact O-N 2.69Å; Y408-E410 VanDerWaalsContact C-N 3.26Å; Y408-E410 PolarHBondContact O-N 3.41Å; E410-L412 VanDerWaalsContact C-N 3.28Å; E410-L412 PolarHBondContact O-N 3.46Å; E410-G414 VanDerWaalsContact O-CA 3.31Å; E410-G414 WeakPolarHBondContact O-CA 3.36Å; E410-G414 PolarHBondContact O-N 2.98Å; E410-R416 HydrophobicContact CB-CG 4.06Å; E410-R416 VanDerWaalsContact CD-NE 3.26Å; E410-R416 IonicContact OE1-CZ 3.55Å; E410-R416 IonicContact OE1-NE 2.69Å; E410-R416 PolarHBondContact OE1-NE 3.4Å; E410-R416 IonicContact OE1-NH2 3.52Å; E410-R416 PolarHBondContact OE1-NH2 3.46Å; E410-R416 IonicContact OE2-CZ 3.82Å; E410-R416 IonicContact OE2-NE 3.49Å; E410-R416 PolarHBondContact OE2-NE 2.92Å; E410-R416 IonicContact OE2-NH2 2.73Å; E410-R416 PolarHBondContact OE2-NH2 3.3Å
411	K	97.1	Very high	92.4	Very high	120 Å²	120	55.5 Å²	55.5	52%	0.522	27%	0.272	S	S	.	.	H	α-helix	trans	-59.5	-37.1	171.8	177.4	-173.1	174.1	-178.3	0	112.2	D338 E407 Y408 E409	D338-K411 IonicContact OD2-NZ 2.69Å; D338-K411 PolarHBondContact OD2-NZ 3.02Å; E407-K411 WeakPolarHBondContact O-CB 3.48Å; E407-K411 PolarHBondContact O-N 3.04Å; Y408-K411 HydrophobicContact CD2-CD 4.23Å; Y408-K411 HydrophobicContact CE2-CD 4.38Å; Y408-K411 WeakPolarHBondContact O-CB 3.38Å; Y408-K411 PolarHBondContact O-N 3.29Å; E409-K411 PolarHBondContact O-N 3.05Å
412	L	97.2	Very high	90.5	Very high	63 Å²	63	61 Å²	61	33%	0.33	31%	0.307	S	S	.	.	H	α-helix	trans	-88.7	-27	-174.9	-69.9	174	0	0	0	113.9	M374 R375 Y408 E409 E410	M374-L412 HydrophobicContact CB-CD1 3.98Å; R375-L412 HydrophobicContact CB-CD1 4.03Å; R375-L412 HydrophobicContact CG-CD2 4.4Å; Y408-L412 HydrophobicContact CD1-CD1 3.78Å; Y408-L412 HydrophobicContact CE1-CD1 3.55Å; Y408-L412 HydrophobicContact CE1-CG 4.43Å; Y408-L412 HydrophobicContact CG-CD1 4.4Å; Y408-L412 WeakPolarHBondContact O-CB 3.49Å; Y408-L412 VanDerWaalsContact O-CG 3.3Å; Y408-L412 WeakPolarHBondContact O-CG 3.28Å; Y408-L412 PolarHBondContact O-N 3.17Å; E409-L412 CarbonylContact O-C 3.57Å; E409-L412 PolarHBondContact O-N 3.2Å; E409-L412 VanDerWaalsContact O-N 3.09Å; E410-L412 VanDerWaalsContact C-N 3.28Å; E410-L412 PolarHBondContact O-N 3.46Å
413	R	94.2	Very high	88.6	Confident	103 Å²	103	64.5 Å²	64.5	39%	0.389	33%	0.333	S	S	.	.	H	α-helix	trans	-133.6	-1.1	-165.9	-51.9	-174.3	71.1	84.1	0.2	114.6	N378 E409 S415	N378-R413 PolarHBondContact OD1-NH1 3.05Å; E409-R413 HydrophobicContact CG-CG 4.41Å; E409-R413 WeakPolarHBondContact O-CB 3.26Å; E409-R413 PolarHBondContact O-N 3.22Å; R413-S415 PolarHBondContact O-N 2.72Å; R413-S415 VanDerWaalsContact O-N 3.08Å; R413-S415 PolarHBondContact O-OG 2.83Å
414	G	95.3	Very high	86.4	Confident	69 Å²	69	66.3 Å²	66.3	71%	0.711	35%	0.349	S	S	*	.	S	Bend	trans	64.2	8.5	-176.9	0	0	0	0	0	115.1	E410	E410-G414 VanDerWaalsContact O-CA 3.31Å; E410-G414 WeakPolarHBondContact O-CA 3.36Å; E410-G414 PolarHBondContact O-N 2.98Å
415	S	91.5	Very high	83.8	Confident	67 Å²	67	71.7 Å²	71.7	47%	0.469	38%	0.384	S	S	.	.	S	Bend	trans	-158.7	165.1	-173.6	54.2	0	0	0	0	110.6	E409 R413	E409-S415 CarbonylContact C-O 3.6Å; R413-S415 PolarHBondContact O-N 2.72Å; R413-S415 VanDerWaalsContact O-N 3.08Å; R413-S415 PolarHBondContact O-OG 2.83Å
416	R	91.8	Very high	81	Confident	113 Å²	113	77.2 Å²	77.2	43%	0.426	41%	0.405	S	S	.	.			trans	-121.1	135.2	-179.7	-58.4	174.6	-174.9	-153	-3.5	110.2	L406 E409 E410	L406-R416 HydrophobicContact CD2-CB 4.24Å; L406-R416 HydrophobicContact CD2-CG 4.47Å; E409-R416 VanDerWaalsContact OE2-CA 3.31Å; E409-R416 WeakPolarHBondContact OE2-CA 3.48Å; E410-R416 HydrophobicContact CB-CG 4.06Å; E410-R416 VanDerWaalsContact CD-NE 3.26Å; E410-R416 IonicContact OE1-CZ 3.55Å; E410-R416 IonicContact OE1-NE 2.69Å; E410-R416 PolarHBondContact OE1-NE 3.4Å; E410-R416 IonicContact OE1-NH2 3.52Å; E410-R416 PolarHBondContact OE1-NH2 3.46Å; E410-R416 IonicContact OE2-CZ 3.82Å; E410-R416 IonicContact OE2-NE 3.49Å; E410-R416 PolarHBondContact OE2-NE 2.92Å; E410-R416 IonicContact OE2-NH2 2.73Å; E410-R416 PolarHBondContact OE2-NH2 3.3Å
417	S	90.7	Very high	78.5	Confident	32 Å²	32	81.8 Å²	81.8	22%	0.224	44%	0.438	C	S	.	.	S	Bend	trans	-90.1	-26.6	178.9	57.5	0	0	0	0	113.8	L381 A382 E409	L381-S417 PolarHBondContact N-OG 2.95Å; A382-S417 PolarHBondContact N-OG 2.69Å; E409-S417 VanDerWaalsContact CD-N 3.33Å; E409-S417 VanDerWaalsContact CD-OG 3.27Å; E409-S417 WeakPolarHBondContact OE1-CB 3.35Å; E409-S417 PolarHBondContact OE1-N 2.94Å; E409-S417 PolarHBondContact OE1-OG 3.04Å; E409-S417 PolarHBondContact OE2-N 3.38Å; E409-S417 PolarHBondContact OE2-OG 2.76Å
418	I	87.7	Confident	75.7	Confident	1 Å²	1	79.1 Å²	79.1	1%	0.005	43%	0.429	C	S	.	.			trans	-108	147.3	176	-56.7	-179	0	0	0	109.6	L381 A382 W402 L406 L464	L381-I418 HydrophobicContact CB-CD1 4.42Å; L381-I418 HydrophobicContact CD2-CD1 4.23Å; L381-I418 HydrophobicContact CG-CD1 3.85Å; L381-I418 HydrophobicContact CG-CG1 4.42Å; A382-I418 HydrophobicContact CB-CD1 4.37Å; A382-I418 HydrophobicContact CB-CG1 3.88Å; W402-I418 HydrophobicContact CH2-CD1 4.26Å; W402-I418 HydrophobicContact CZ3-CD1 3.84Å; L406-I418 HydrophobicContact CD2-CB 4.16Å; L406-I418 WeakPolarHBondContact CD2-O 3.39Å; I418-L464 HydrophobicContact CD1-CD1 4.17Å; I418-L464 HydrophobicContact CG2-CB 4.48Å
419	R	78.4	Confident	72.9	Confident	162 Å²	162	84.1 Å²	84.1	61%	0.611	46%	0.46	S	S	*	.			trans	-116.8	132.2	166.1	-62.6	177.9	-63.8	-158.8	-0.1	109.6	L421 D463	R419-L421 PolarHBondContact O-N 2.97Å; R419-D463 IonicContact CZ-OD1 2.73Å; R419-D463 IonicContact NE-OD1 2.77Å; R419-D463 IonicContact NH2-OD1 2.94Å; R419-D463 PolarHBondContact NH2-OD1 2.93Å; R419-D463 IonicContact NH2-OD2 3.25Å
420	L	75	Confident	70.4	Confident	69 Å²	69	86.6 Å²	86.6	36%	0.361	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-73.5	125.2	166.8	-57.3	-177.4	0	0	0	108.4	W402 R403 L406 L465	W402-L420 HydrophobicContact CB-CD1 4.33Å; W402-L420 HydrophobicContact CB-CD2 4.13Å; W402-L420 HydrophobicContact CG-CD2 4.43Å; R403-L420 HydrophobicContact CG-CD1 4.04Å; L406-L420 HydrophobicContact CD1-CD1 3.9Å; L406-L420 HydrophobicContact CD1-CD2 4.01Å; L406-L420 HydrophobicContact CD1-CG 3.57Å; L420-L465 HydrophobicContact CD2-CD1 3.57Å
421	L	72	Confident	67.6	Low	78 Å²	78	85.6 Å²	85.6	41%	0.408	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-80.4	150.4	170.7	-65.2	176.7	0	0	0	110.5	R419 R459	R419-L421 PolarHBondContact O-N 2.97Å; L421-R459 VanDerWaalsContact CD1-CZ 3.42Å; L421-R459 VanDerWaalsContact CD1-NH1 3.33Å; L421-R459 VanDerWaalsContact CD1-NH2 3.32Å
422	P	57.9	Low	65	Low	115 Å²	115	82.9 Å²	82.9	75%	0.747	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-55.6	144.5	174.4	-24.9	34.4	0	0	0	112.3	L424	P422-L424 PolarHBondContact O-N 2.84Å
423	S	55	Low	62.2	Low	79 Å²	79	82.9 Å²	82.9	55%	0.552	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-60.4	120.1	165	-73.8	0	0	0	0	109.2	T425 N467	S423-T425 PolarHBondContact O-N 3.3Å; S423-N467 PolarHBondContact OG-ND2 3.31Å
424	L	49.8	Very low	59.9	Low	145 Å²	145	87.3 Å²	87.3	76%	0.759	49%	0.492	S	S	*	.			trans	-65.4	97.5	174.7	-69	171.6	0	0	0	109.7	P422 Y426	P422-L424 PolarHBondContact O-N 2.84Å; L424-Y426 VanDerWaalsContact C-N 3.28Å; L424-Y426 PolarHBondContact O-N 2.99Å
425	T	42.7	Very low	57.6	Low	130 Å²	130	91.5 Å²	91.5	80%	0.798	50%	0.498	S	S	*	.			trans	-71	84.1	169.4	36.1	0	0	0	0	109.5	S423 S427	S423-T425 PolarHBondContact O-N 3.3Å; T425-S427 PolarHBondContact O-N 3.48Å
426	Y	39.2	Very low	56.2	Low	115 Å²	115	91.9 Å²	91.9	45%	0.451	50%	0.497	S	S	.	.			trans	-67.5	97.4	175.6	-174.4	-103.9	0	0	0	110.3	L424 G428 S430 T441	L424-Y426 VanDerWaalsContact C-N 3.28Å; L424-Y426 PolarHBondContact O-N 2.99Å; Y426-G428 VanDerWaalsContact C-N 3.31Å; Y426-G428 WeakPolarHBondContact CD1-O 3.41Å; Y426-G428 WeakPolarHBondContact CE1-O 3.39Å; Y426-S430 VanDerWaalsContact CE1-OG 3.22Å; Y426-S430 WeakPolarHBondContact CE1-OG 3.31Å; Y426-T441 WeakPolarHBondContact OH-CA 3.17Å; Y426-T441 WeakPolarHBondContact OH-CB 3.44Å; Y426-T441 WeakPolarHBondContact OH-CG2 3.4Å
427	S	44	Very low	53.6	Low	100 Å²	100	93.3 Å²	93.3	70%	0.699	51%	0.514	S	S	*	.			trans	-86.8	4.9	179.7	53.8	0	0	0	0	113.9	T425	T425-S427 PolarHBondContact O-N 3.48Å
428	G	38.3	Very low	50.8	Low	15 Å²	15	99.1 Å²	99.1	16%	0.155	53%	0.531	C	S	.	.	S	Bend	trans	-82	149.9	177.4	0	0	0	0	0	112.8	Y426 S430	Y426-G428 VanDerWaalsContact C-N 3.31Å; Y426-G428 WeakPolarHBondContact CD1-O 3.41Å; Y426-G428 WeakPolarHBondContact CE1-O 3.39Å; G428-S430 PolarHBondContact O-N 3.25Å
429	T	38.9	Very low	48.3	Very low	106 Å²	106	104.6 Å²	104.6	65%	0.65	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.6	101.5	166.8	42.5	0	0	0	0	109.4	S431	T429-S431 PolarHBondContact O-N 3.2Å
430	S	44.8	Very low	46.2	Very low	55 Å²	55	101.7 Å²	101.7	39%	0.385	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	101	171.7	-77.1	0	0	0	0	110.3	Y426 G428	Y426-S430 VanDerWaalsContact CE1-OG 3.22Å; Y426-S430 WeakPolarHBondContact CE1-OG 3.31Å; G428-S430 PolarHBondContact O-N 3.25Å
431	S	38	Very low	44.7	Very low	61 Å²	61	102.2 Å²	102.2	43%	0.427	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.5	126.3	170.5	57.3	0	0	0	0	110.1	T429 Y440	T429-S431 PolarHBondContact O-N 3.2Å; S431-Y440 PolarHBondContact N-O 2.62Å; S431-Y440 VanDerWaalsContact N-O 3.11Å; S431-Y440 PolarHBondContact O-N 2.74Å
432	V	42.8	Very low	43.2	Very low	63 Å²	63	103.5 Å²	103.5	38%	0.382	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.7	114.7	171.8	177.3	0	0	0	0	108	Y434 L439	V432-Y434 HydrophobicContact CG1-CD1 4.07Å; V432-Y434 HydrophobicContact CG1-CE1 4.12Å; V432-Y434 PolarHBondContact O-N 3.47Å; V432-L439 HydrophobicContact CG2-CD2 3.67Å; V432-L439 HydrophobicContact CG2-CG 4.46Å
433	N	37.9	Very low	42.3	Very low	63 Å²	63	101.5 Å²	101.5	34%	0.337	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.5	97.8	167.5	-175.4	-35.2	0	0	0	108.6	N435 T436 N437 R438 Y440	N433-N435 PolarHBondContact O-N 2.96Å; N433-N435 VanDerWaalsContact O-N 3.16Å; N433-N435 PolarHBondContact OD1-N 3.49Å; N433-N435 VanDerWaalsContact OD1-N 3.1Å; N433-T436 PolarHBondContact O-N 2.81Å; N433-T436 PolarHBondContact OD1-N 3.38Å; N433-N437 PolarHBondContact O-N 2.97Å; N433-R438 PolarHBondContact N-O 2.81Å; N433-Y440 HydrophobicContact CB-CD2 4.08Å; N433-Y440 HydrophobicContact CB-CE2 4.06Å
434	Y	46.5	Very low	41.5	Very low	195 Å²	195	101.6 Å²	101.6	77%	0.765	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.5	-177.8	-60.5	-76.8	0	0	0	113.8	V432 T436	V432-Y434 HydrophobicContact CG1-CD1 4.07Å; V432-Y434 HydrophobicContact CG1-CE1 4.12Å; V432-Y434 PolarHBondContact O-N 3.47Å; Y434-T436 VanDerWaalsContact C-N 3.3Å; Y434-T436 PolarHBondContact O-N 2.94Å
435	N	47.7	Very low	41.1	Very low	158 Å²	158	104.6 Å²	104.6	85%	0.845	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-10.9	179.1	-65.9	-0.5	0	0	0	113.2	N433	N433-N435 PolarHBondContact O-N 2.96Å; N433-N435 VanDerWaalsContact O-N 3.16Å; N433-N435 PolarHBondContact OD1-N 3.49Å; N433-N435 VanDerWaalsContact OD1-N 3.1Å
436	T	61.8	Low	40.9	Very low	75 Å²	75	105.5 Å²	105.5	46%	0.46	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-132.1	-1.4	-178.1	69.6	0	0	0	0	114.3	N433 Y434 R438	N433-T436 PolarHBondContact O-N 2.81Å; N433-T436 PolarHBondContact OD1-N 3.38Å; Y434-T436 VanDerWaalsContact C-N 3.3Å; Y434-T436 PolarHBondContact O-N 2.94Å; T436-R438 PolarHBondContact O-N 3.43Å; T436-R438 WeakPolarHBondContact OG1-CB 3.43Å; T436-R438 PolarHBondContact OG1-N 3.4Å
437	N	36	Very low	40.8	Very low	143 Å²	143	105.1 Å²	105.1	77%	0.765	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.5	25.9	-168.9	-80.9	-30.8	0	0	0	114.6	N433	N433-N437 PolarHBondContact O-N 2.97Å
438	R	32.8	Very low	40.3	Very low	154 Å²	154	108.6 Å²	108.6	58%	0.581	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.5	124	175.1	-78	-173.7	170.6	-171.6	-2.5	109.5	N433 T436 Y440	N433-R438 PolarHBondContact N-O 2.81Å; T436-R438 PolarHBondContact O-N 3.43Å; T436-R438 WeakPolarHBondContact OG1-CB 3.43Å; T436-R438 PolarHBondContact OG1-N 3.4Å; R438-Y440 HydrophobicContact CB-CD2 3.95Å; R438-Y440 HydrophobicContact CB-CE2 3.55Å; R438-Y440 WeakPolarHBondContact CD-OH 3.36Å; R438-Y440 HydrophobicContact CG-CE2 4.43Å; R438-Y440 PolarHBondContact NH1-OH 2.82Å; R438-Y440 PolarHBondContact O-N 3.49Å
439	L	34.9	Very low	40.1	Very low	116 Å²	116	111.3 Å²	111.3	61%	0.607	60%	0.598	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.6	114.2	156.5	-77.3	158.4	0	0	0	108	V432	V432-L439 HydrophobicContact CG2-CD2 3.67Å; V432-L439 HydrophobicContact CG2-CG 4.46Å
440	Y	35.2	Very low	39.6	Very low	101 Å²	101	109.2 Å²	109.2	40%	0.396	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.6	111.5	168.3	-78.6	-85.6	0	0	0	109	S431 N433 R438 N442	S431-Y440 PolarHBondContact N-O 2.62Å; S431-Y440 VanDerWaalsContact N-O 3.11Å; S431-Y440 PolarHBondContact O-N 2.74Å; N433-Y440 HydrophobicContact CB-CD2 4.08Å; N433-Y440 HydrophobicContact CB-CE2 4.06Å; R438-Y440 HydrophobicContact CB-CD2 3.95Å; R438-Y440 HydrophobicContact CB-CE2 3.55Å; R438-Y440 WeakPolarHBondContact CD-OH 3.36Å; R438-Y440 HydrophobicContact CG-CE2 4.43Å; R438-Y440 PolarHBondContact NH1-OH 2.82Å; R438-Y440 PolarHBondContact O-N 3.49Å; Y440-N442 PolarHBondContact O-N 2.86Å
441	T	42.9	Very low	38.9	Very low	79 Å²	79	110.7 Å²	110.7	49%	0.485	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.2	99.2	177.9	53.3	0	0	0	0	109.9	Y426 S443	Y426-T441 WeakPolarHBondContact OH-CA 3.17Å; Y426-T441 WeakPolarHBondContact OH-CB 3.44Å; Y426-T441 WeakPolarHBondContact OH-CG2 3.4Å; T441-S443 PolarHBondContact O-N 3Å
442	N	39.4	Very low	38.6	Very low	106 Å²	106	111.1 Å²	111.1	57%	0.567	61%	0.611	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76	68.3	171.8	-82.3	-20	0	0	0	110.8	Y440 P444	Y440-N442 PolarHBondContact O-N 2.86Å; N442-P444 WeakPolarHBondContact O-CD 3.4Å
443	S	40.5	Very low	38.1	Very low	72 Å²	72	117.1 Å²	117.1	50%	0.503	63%	0.628	S	S	.	*			trans	-70.8	123.5	171.3	-61.7	0	0	0	0	109.9	T441 K445	T441-S443 PolarHBondContact O-N 3Å; S443-K445 PolarHBondContact O-N 3.36Å
444	P	38.1	Very low	38	Very low	82 Å²	82	117.2 Å²	117.2	53%	0.532	63%	0.634	S	S	.	*			trans	-60.5	126.6	172.1	-21.9	33.8	0	0	0	110.2	N442 N446	N442-P444 WeakPolarHBondContact O-CD 3.4Å; P444-N446 PolarHBondContact O-N 3.45Å
445	K	41.8	Very low	37.3	Very low	208 Å²	208	111.4 Å²	111.4	90%	0.904	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	1.6	-171.3	-71.3	-173.9	175	-178.6	0	115.9	S443	S443-K445 PolarHBondContact O-N 3.36Å
446	N	37.8	Very low	36.5	Very low	148 Å²	148	107.2 Å²	107.2	79%	0.791	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	10.7	-170.9	-69	1.8	0	0	0	114.5	P444 I448	P444-N446 PolarHBondContact O-N 3.45Å; N446-I448 PolarHBondContact O-N 3.29Å
447	I	35.9	Very low	35.1	Very low	107 Å²	107	111.6 Å²	111.6	55%	0.549	61%	0.605	S	S	.	*			trans	-82.1	96.3	170	-57.5	-177.7	0	0	0	109.1	G449 G450	I447-G449 PolarHBondContact O-N 3.09Å; I447-G450 PolarHBondContact O-N 3.09Å; I447-G450 VanDerWaalsContact O-N 3.15Å
448	I	34.2	Very low	34.7	Very low	173 Å²	173	109.5 Å²	109.5	89%	0.887	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	125.3	167.7	-60.3	173	0	0	0	107.9	N446	N446-I448 PolarHBondContact O-N 3.29Å
449	G	33.7	Very low	34.8	Very low	72 Å²	72	105.8 Å²	105.8	74%	0.742	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.3	16.4	-172.4	0	0	0	0	0	115.1	I447 S451	I447-G449 PolarHBondContact O-N 3.09Å; G449-S451 PolarHBondContact O-N 3.43Å
450	G	28.3	Very low	34.9	Very low	63 Å²	63	104.3 Å²	104.3	65%	0.649	58%	0.584	S	S	*	*			trans	-62.3	95.6	173.8	0	0	0	0	0	113.2	I447	I447-G450 PolarHBondContact O-N 3.09Å; I447-G450 VanDerWaalsContact O-N 3.15Å
451	S	31.6	Very low	35.2	Very low	86 Å²	86	104.8 Å²	104.8	60%	0.601	60%	0.602	S	S	*	*			trans	-65.7	135.5	170.4	48	0	0	0	0	111.1	G449 D455	G449-S451 PolarHBondContact O-N 3.43Å; S451-D455 WeakPolarHBondContact CA-OD2 3.35Å; S451-D455 WeakPolarHBondContact CB-OD2 3.41Å
452	S	30.9	Very low	35.4	Very low	69 Å²	69	105.6 Å²	105.6	48%	0.483	60%	0.603	S	S	.	*			trans	-79.4	156	176.8	168.6	0	0	0	0	110	S454 D455	S452-S454 WeakPolarHBondContact CB-OG 3.27Å; S452-S454 PolarHBondContact O-N 3.16Å; S452-S454 PolarHBondContact OG-N 3.2Å; S452-S454 PolarHBondContact OG-OG 2.93Å; S452-D455 PolarHBondContact N-OD2 3.05Å; S452-D455 WeakPolarHBondContact O-CB 3.44Å; S452-D455 PolarHBondContact O-N 2.86Å
453	Y	32	Very low	35.8	Very low	189 Å²	189	101.7 Å²	101.7	74%	0.741	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-16.3	176.7	-156.4	-93	0	0	0	112.8
454	S	35.6	Very low	36.1	Very low	65 Å²	65	100.3 Å²	100.3	46%	0.455	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.7	-38	168.6	43.2	0	0	0	0	113.7	S452 M456 F457	S452-S454 WeakPolarHBondContact CB-OG 3.27Å; S452-S454 PolarHBondContact O-N 3.16Å; S452-S454 PolarHBondContact OG-N 3.2Å; S452-S454 PolarHBondContact OG-OG 2.93Å; S454-M456 PolarHBondContact O-N 3.03Å; S454-M456 VanDerWaalsContact O-N 3.09Å; S454-F457 PolarHBondContact O-N 3.05Å
455	D	31.7	Very low	36.6	Very low	74 Å²	74	98.1 Å²	98.1	40%	0.396	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-75.5	-11.6	-161.4	-48.4	-13.2	0	0	0	111.5	S451 S452 F457 S458	S451-D455 WeakPolarHBondContact CA-OD2 3.35Å; S451-D455 WeakPolarHBondContact CB-OD2 3.41Å; S452-D455 PolarHBondContact N-OD2 3.05Å; S452-D455 WeakPolarHBondContact O-CB 3.44Å; S452-D455 PolarHBondContact O-N 2.86Å; D455-F457 PolarHBondContact O-N 3.13Å; D455-S458 PolarHBondContact O-N 2.81Å
456	M	31.4	Very low	36.5	Very low	69 Å²	69	91.3 Å²	91.3	34%	0.34	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-64.2	-17.4	175.9	-150.4	-180	71.5	0	0	113.3	S454 P466	S454-M456 PolarHBondContact O-N 3.03Å; S454-M456 VanDerWaalsContact O-N 3.09Å; M456-P466 HydrophobicContact CG-CG 4.41Å; M456-P466 HydrophobicContact SD-CB 4.35Å; M456-P466 HydrophobicContact SD-CG 4.36Å
457	F	31.5	Very low	36.5	Very low	168 Å²	168	90 Å²	90	74%	0.737	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-108.3	-8.9	179.3	-64.8	-78.8	0	0	0	114.6	S454 D455 R459	S454-F457 PolarHBondContact O-N 3.05Å; D455-F457 PolarHBondContact O-N 3.13Å; F457-R459 PolarHBondContact O-N 3.13Å
458	S	29.6	Very low	36.5	Very low	99 Å²	99	91.5 Å²	91.5	69%	0.692	53%	0.525	S	S	*	.			trans	-86.1	21.9	-179	-55.3	0	0	0	0	113.8	D455	D455-S458 PolarHBondContact O-N 2.81Å
459	R	34.2	Very low	36.6	Very low	75 Å²	75	85.6 Å²	85.6	28%	0.283	50%	0.5	S	S	.	.			trans	-73.7	145.1	-171.3	-63.4	-162.8	-178.6	-158.6	-5.7	112.4	L421 F457 D463 L465	L421-R459 VanDerWaalsContact CD1-CZ 3.42Å; L421-R459 VanDerWaalsContact CD1-NH1 3.33Å; L421-R459 VanDerWaalsContact CD1-NH2 3.32Å; F457-R459 PolarHBondContact O-N 3.13Å; R459-D463 HydrophobicContact CB-CB 4.33Å; R459-D463 WeakPolarHBondContact CD-O 3.4Å; R459-D463 PolarHBondContact NH1-O 2.83Å; R459-L465 PolarHBondContact NH1-O 2.94Å; R459-L465 PolarHBondContact NH2-O 3.45Å
460	T	36.9	Very low	36.6	Very low	85 Å²	85	84.5 Å²	84.5	52%	0.521	47%	0.474	S	S	.	.			trans	-66.3	151.1	160.9	80.4	0	0	0	0	109.2	N462 D463	T460-N462 PolarHBondContact O-N 2.93Å; T460-D463 PolarHBondContact O-N 3.19Å; T460-D463 PolarHBondContact OG1-OD2 2.95Å
461	S	41.8	Very low	36.8	Very low	112 Å²	112	85.6 Å²	85.6	78%	0.783	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-17.4	-173.9	-48.2	0	0	0	0	115
462	N	46.2	Very low	36.9	Very low	95 Å²	95	85.7 Å²	85.7	51%	0.508	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-19.5	-174.6	-55.4	-12.9	0	0	0	112.6	T460 L464	T460-N462 PolarHBondContact O-N 2.93Å; N462-L464 PolarHBondContact O-N 3.38Å
463	D	47.1	Very low	37	Very low	24 Å²	24	87.1 Å²	87.1	13%	0.128	47%	0.467	C	S	.	.			trans	-83.5	63.8	-178.2	-60.2	-59.9	0	0	0	110.8	R419 R459 T460	R419-D463 IonicContact CZ-OD1 2.73Å; R419-D463 IonicContact NE-OD1 2.77Å; R419-D463 IonicContact NH2-OD1 2.94Å; R419-D463 PolarHBondContact NH2-OD1 2.93Å; R419-D463 IonicContact NH2-OD2 3.25Å; R459-D463 HydrophobicContact CB-CB 4.33Å; R459-D463 WeakPolarHBondContact CD-O 3.4Å; R459-D463 PolarHBondContact NH1-O 2.83Å; T460-D463 PolarHBondContact O-N 3.19Å; T460-D463 PolarHBondContact OG1-OD2 2.95Å
464	L	48.5	Very low	36.9	Very low	44 Å²	44	83.3 Å²	83.3	23%	0.23	45%	0.452	C	S	.	.			trans	-74.2	152.6	176.7	-67.5	172.9	0	0	0	111.9	Y385 I418 N462	Y385-L464 HydrophobicContact CD1-CD1 3.75Å; Y385-L464 HydrophobicContact CE1-CD1 4.19Å; I418-L464 HydrophobicContact CD1-CD1 4.17Å; I418-L464 HydrophobicContact CG2-CB 4.48Å; N462-L464 PolarHBondContact O-N 3.38Å
465	L	47.1	Very low	36.5	Very low	36 Å²	36	84.2 Å²	84.2	19%	0.188	46%	0.456	C	S	.	.			trans	75.2	109.6	-176.3	-50.5	166.1	0	0	0	116.3	Q396 W402 L420 R459	Q396-L465 VanDerWaalsContact NE2-CD2 3.33Å; W402-L465 HydrophobicContact CD2-CD1 3.95Å; W402-L465 HydrophobicContact CE3-CD1 4.5Å; W402-L465 HydrophobicContact CG-CD1 4.22Å; W402-L465 HydrophobicContact CZ2-CD1 4.07Å; W402-L465 HydrophobicContact CZ2-CD2 4.18Å; W402-L465 HydrophobicContact CZ2-CG 4.46Å; L420-L465 HydrophobicContact CD2-CD1 3.57Å; R459-L465 PolarHBondContact NH1-O 2.94Å; R459-L465 PolarHBondContact NH2-O 3.45Å
466	P	40.6	Very low	36.5	Very low	64 Å²	64	85 Å²	85	42%	0.416	46%	0.458	S	S	.	.			trans	-98.4	156.6	131.1	27.2	-20.4	0	0	0	110.4	M456 K468	M456-P466 HydrophobicContact CG-CG 4.41Å; M456-P466 HydrophobicContact SD-CB 4.35Å; M456-P466 HydrophobicContact SD-CG 4.36Å; P466-K468 PolarHBondContact O-N 2.92Å
467	N	37.8	Very low	36.4	Very low	122 Å²	122	90.1 Å²	90.1	65%	0.652	48%	0.482	S	S	*	.	S	Bend	trans	-70.2	89.9	174.5	-106.1	-32.4	0	0	0	111.8	S423	S423-N467 PolarHBondContact OG-ND2 3.31Å
468	K	36.4	Very low	36.5	Very low	137 Å²	137	87.7 Å²	87.7	60%	0.596	48%	0.475	S	S	*	.			trans	-114.9	97.8	138.2	-76.2	-168.6	176.7	-175.4	0	107.2	P466 F470	P466-K468 PolarHBondContact O-N 2.92Å; K468-F470 PolarHBondContact O-N 3.1Å
469	S	34.8	Very low	36.8	Very low	50 Å²	50	85.6 Å²	85.6	35%	0.35	46%	0.456	S	S	.	.			trans	-59.1	141.4	165.4	65.1	0	0	0	0	107.7	I471 S472	S469-I471 PolarHBondContact O-N 3.41Å; S469-I471 VanDerWaalsContact O-N 3.15Å; S469-S472 VanDerWaalsContact O-CB 3.29Å; S469-S472 WeakPolarHBondContact O-CB 3.2Å; S469-S472 PolarHBondContact O-N 3.39Å; S469-S472 WeakPolarHBondContact OG-CB 3.43Å; S469-S472 PolarHBondContact OG-N 3.31Å; S469-S472 VanDerWaalsContact OG-N 3.14Å
470	F	33.7	Very low	36.5	Very low	48 Å²	48	84.7 Å²	84.7	21%	0.211	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-61.9	-25	177.9	-151.1	-101.6	0	0	0	111.4	I264 F266 K468 S472 L473	I264-F470 HydrophobicContact CD1-CZ 4.21Å; F266-F470 HydrophobicContact CD1-CE1 4.3Å; F266-F470 AromaticContact CE1-CE1 3.38Å; F266-F470 HydrophobicContact CE1-CE1 3.38Å; F266-F470 AromaticContact CE1-CZ 3.62Å; F266-F470 HydrophobicContact CE1-CZ 3.62Å; F266-F470 AromaticContact CZ-CE1 3.8Å; F266-F470 HydrophobicContact CZ-CE1 3.8Å; F266-F470 HydrophobicContact CZ-CZ 4.04Å; K468-F470 PolarHBondContact O-N 3.1Å; F470-S472 VanDerWaalsContact C-N 3.33Å; F470-L473 PolarHBondContact O-N 3.01Å
471	I	33.4	Very low	36.2	Very low	87 Å²	87	84.7 Å²	84.7	45%	0.446	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-67.5	-24.1	171.5	-58.2	165.1	0	0	0	112.8	S469 L473 Y474 M476	S469-I471 PolarHBondContact O-N 3.41Å; S469-I471 VanDerWaalsContact O-N 3.15Å; I471-L473 VanDerWaalsContact C-N 3.26Å; I471-L473 PolarHBondContact O-N 3.39Å; I471-Y474 CarbonylContact O-C 3.58Å; I471-M476 HydrophobicContact CB-SD 4.38Å; I471-M476 HydrophobicContact CD1-SD 4Å; I471-M476 HydrophobicContact CG1-SD 3.89Å; I471-M476 HydrophobicContact CG2-CG 3.57Å; I471-M476 HydrophobicContact CG2-SD 3.62Å
472	S	32.7	Very low	35.5	Very low	88 Å²	88	89.8 Å²	89.8	62%	0.615	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-75.7	-12.6	178.2	-177.9	0	0	0	0	113.5	S469 F470	S469-S472 VanDerWaalsContact O-CB 3.29Å; S469-S472 WeakPolarHBondContact O-CB 3.2Å; S469-S472 PolarHBondContact O-N 3.39Å; S469-S472 WeakPolarHBondContact OG-CB 3.43Å; S469-S472 PolarHBondContact OG-N 3.31Å; S469-S472 VanDerWaalsContact OG-N 3.14Å; F470-S472 VanDerWaalsContact C-N 3.33Å
473	L	33.1	Very low	34.8	Very low	99 Å²	99	92.4 Å²	92.4	52%	0.518	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-22	178.2	-67.9	173.9	0	0	0	112.8	F470 I471	F470-L473 PolarHBondContact O-N 3.01Å; I471-L473 VanDerWaalsContact C-N 3.26Å; I471-L473 PolarHBondContact O-N 3.39Å
474	Y	30.5	Very low	33.9	Very low	109 Å²	109	96.6 Å²	96.6	43%	0.427	50%	0.503	S	S	.	.	S	Bend	trans	-143.8	124.6	-179.6	-63.9	-75.8	0	0	0	109.7	F266 I471	F266-Y474 HydrophobicContact CE2-CD2 4.05Å; F266-Y474 AromaticContact CE2-CE2 3.94Å; F266-Y474 HydrophobicContact CE2-CE2 3.94Å; F266-Y474 HydrophobicContact CZ-CD2 4.17Å; F266-Y474 AromaticContact CZ-CE2 3.98Å; F266-Y474 HydrophobicContact CZ-CE2 3.98Å; I471-Y474 CarbonylContact O-C 3.58Å
475	P	27.4	Very low	33.1	Very low	83 Å²	83	102.8 Å²	102.8	54%	0.539	54%	0.535	S	S	.	.			trans	-50.8	145.8	-179.6	-28.5	35.3	0	0	0	112.7	E477 I478	P475-E477 PolarHBondContact O-N 3.11Å; P475-I478 PolarHBondContact O-N 2.84Å
476	M	31.1	Very low	32.4	Very low	90 Å²	90	109.9 Å²	109.9	44%	0.443	59%	0.588	S	S	.	*	H	α-helix	trans	-55.8	-19.2	177.4	-82.8	-61	-67.5	0	0	112.9	I471 I478 I479 S480	I471-M476 HydrophobicContact CB-SD 4.38Å; I471-M476 HydrophobicContact CD1-SD 4Å; I471-M476 HydrophobicContact CG1-SD 3.89Å; I471-M476 HydrophobicContact CG2-CG 3.57Å; I471-M476 HydrophobicContact CG2-SD 3.62Å; M476-I478 PolarHBondContact O-N 3.49Å; M476-I478 VanDerWaalsContact O-N 3.15Å; M476-I479 PolarHBondContact O-N 3.5Å; M476-I479 VanDerWaalsContact O-N 3.1Å; M476-I479 HydrophobicContact SD-CB 4.45Å; M476-S480 WeakPolarHBondContact O-CA 3.34Å; M476-S480 WeakPolarHBondContact O-CB 3.48Å; M476-S480 PolarHBondContact O-N 3.19Å
477	E	30	Very low	32	Very low	178 Å²	178	112.2 Å²	112.2	83%	0.832	60%	0.596	S	S	*	*	H	α-helix	trans	-59	-22.8	174.6	-60.8	177.3	158.7	0	0	113.9	P475	P475-E477 PolarHBondContact O-N 3.11Å
478	I	34	Very low	31.7	Very low	116 Å²	116	111.6 Å²	111.6	60%	0.595	59%	0.594	S	S	*	*	H	α-helix	trans	-91.5	-21.8	177.5	-58.5	176.3	0	0	0	112.2	P475 M476	P475-I478 PolarHBondContact O-N 2.84Å; M476-I478 PolarHBondContact O-N 3.49Å; M476-I478 VanDerWaalsContact O-N 3.15Å
479	I	35.6	Very low	31.4	Very low	56 Å²	56	110.2 Å²	110.2	29%	0.287	59%	0.593	S	S	.	*	H	α-helix	trans	-111.8	-21.8	-173.2	-60.2	176.8	0	0	0	111.8	M476 C481	M476-I479 PolarHBondContact O-N 3.5Å; M476-I479 VanDerWaalsContact O-N 3.1Å; M476-I479 HydrophobicContact SD-CB 4.45Å; I479-C481 VanDerWaalsContact C-N 3.26Å; I479-C481 PolarHBondContact O-N 3.21Å
480	S	27.8	Very low	31.2	Very low	56 Å²	56	113.8 Å²	113.8	39%	0.392	61%	0.608	S	S	.	*			trans	-77	77.7	171.4	-170.2	0	0	0	0	109	M476 R482	M476-S480 WeakPolarHBondContact O-CA 3.34Å; M476-S480 WeakPolarHBondContact O-CB 3.48Å; M476-S480 PolarHBondContact O-N 3.19Å; S480-R482 PolarHBondContact O-N 3.34Å
481	C	30.6	Very low	31	Very low	84 Å²	84	117.9 Å²	117.9	57%	0.568	63%	0.633	S	S	*	*			trans	-65.9	65.6	157.9	-67.1	0	0	0	0	109.9	M359 I479 Q483	M359-C481 HydrophobicContact CE-CB 4.16Å; I479-C481 VanDerWaalsContact C-N 3.26Å; I479-C481 PolarHBondContact O-N 3.21Å; C481-Q483 VanDerWaalsContact C-N 3.3Å; C481-Q483 PolarHBondContact O-N 2.91Å
482	R	27.6	Very low	30.9	Very low	219 Å²	219	119.9 Å²	119.9	83%	0.826	65%	0.645	S	S	*	*			trans	-56.5	103.5	150.8	-86.7	-170.8	173.5	-168.9	-0.1	105.5	S480 P484	S480-R482 PolarHBondContact O-N 3.34Å; R482-P484 WeakPolarHBondContact O-CD 3.09Å
483	Q	31.5	Very low	30.7	Very low	151 Å²	151	122.2 Å²	122.2	71%	0.706	65%	0.647	S	S	*	*			trans	-52.1	126.8	161.6	-71.7	-95.4	-86.6	0	0	106.9	C481 L485	C481-Q483 VanDerWaalsContact C-N 3.3Å; C481-Q483 PolarHBondContact O-N 2.91Å; Q483-L485 PolarHBondContact O-N 3.46Å
484	P	27.9	Very low	30.6	Very low	112 Å²	112	124 Å²	124	73%	0.727	66%	0.657	S	S	*	*			trans	-62.4	109.7	158.7	27.5	-30.2	0	0	0	106	R482 S486	R482-P484 WeakPolarHBondContact O-CD 3.09Å; P484-S486 PolarHBondContact O-N 3.38Å; P484-S486 VanDerWaalsContact O-N 3.13Å
485	L	32	Very low	30.6	Very low	173 Å²	173	125.3 Å²	125.3	91%	0.906	68%	0.676	S	S	*	*			trans	-70.1	107.8	173.2	-69.8	171.9	0	0	0	107.6	Q483	Q483-L485 PolarHBondContact O-N 3.46Å
486	S	31.3	Very low	30.9	Very low	185 Å²	185	129.1 Å²	129.1	100%	1.294	69%	0.689	S	S	*	*			trans	-115.7	0	176.7	64.8	0	0	0	0	110.5	P484	P484-S486 PolarHBondContact O-N 3.38Å; P484-S486 VanDerWaalsContact O-N 3.13Å

Retrieved 486 of 486 residues in 218.2 ms (Link to these results)

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