A0A3Q0KNI6_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KNI6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 746 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	28.7	Very low	34.4	Very low	216 Å²	216	149.9 Å²	149.9	100%	1.064	82%	0.823	S	S	*	*				0	91.1	0	-66.9	177.2	169.3	0	0	107.1	I73	M1-I73 HydrophobicContact SD-CD1 4.38Å
2	Y	33.2	Very low	34.4	Very low	235 Å²	235	151.6 Å²	151.6	92%	0.922	82%	0.82	S	S	*	*			cis	-100.7	176.3	33.8	-85.2	-98	0	0	0	114.3
3	S	32	Very low	34.4	Very low	101 Å²	101	155.8 Å²	155.8	71%	0.706	83%	0.827	S	S	*	*			trans	-78.8	155.9	-169.9	-153.3	0	0	0	0	113.5
4	I	32.2	Very low	34.4	Very low	134 Å²	134	157.1 Å²	157.1	69%	0.687	83%	0.826	S	S	*	*			trans	-84.7	138.4	156	-61.7	159.8	0	0	0	106	T6	I4-T6 HydrophobicContact CG2-CG2 4.43Å
5	D	38.2	Very low	34.4	Very low	154 Å²	154	155.2 Å²	155.2	82%	0.824	83%	0.826	S	S	*	*			trans	-139	121.1	155.9	-85.9	-60	0	0	0	108.9
6	T	31.9	Very low	34.3	Very low	125 Å²	125	156.3 Å²	156.3	77%	0.767	83%	0.831	S	S	*	*			trans	-141.8	104.7	177.4	47.8	0	0	0	0	108.7	I4	I4-T6 HydrophobicContact CG2-CG2 4.43Å
7	A	38.7	Very low	34.1	Very low	100 Å²	100	157.2 Å²	157.2	83%	0.826	83%	0.832	S	S	*	*			trans	-151.1	146.2	168.3	0	0	0	0	0	110
8	F	32.6	Very low	34.1	Very low	225 Å²	225	159.3 Å²	159.3	99%	0.987	84%	0.837	S	S	*	*			trans	-87.3	152.2	172.9	-83.8	-119.2	0	0	0	110.4
9	G	34.5	Very low	34	Very low	78 Å²	78	159.9 Å²	159.9	80%	0.804	84%	0.837	S	S	*	*			trans	-174.7	125.2	169.2	0	0	0	0	0	110
10	H	36.6	Very low	34.1	Very low	191 Å²	191	160.6 Å²	160.6	88%	0.884	84%	0.841	S	S	*	*			trans	-99.4	-176.3	-174.4	-132.6	-17.2	0	0	0	111.3
11	P	39.9	Very low	33.9	Very low	90 Å²	90	156.7 Å²	156.7	58%	0.584	84%	0.84	S	S	*	*			trans	-107.9	172.5	-133.4	40.5	-25.8	0	0	0	113.7
12	H	34.4	Very low	34	Very low	170 Å²	170	150.2 Å²	150.2	79%	0.787	83%	0.828	S	S	*	*			trans	165	124.6	130.1	-97.1	-78.9	0	0	0	109.3
13	F	34.1	Very low	33.7	Very low	207 Å²	207	145.7 Å²	145.7	91%	0.908	83%	0.825	S	S	*	*			trans	-170.2	148.8	136.1	-108.2	-69.5	0	0	0	109.3
14	Q	34.9	Very low	33.8	Very low	174 Å²	174	148.2 Å²	148.2	81%	0.813	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-91.6	147.8	-173.4	-65	161	-55.9	0	0	111.8
15	P	34	Very low	33.6	Very low	128 Å²	128	150.9 Å²	150.9	83%	0.831	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-83.2	125.3	164.2	32.7	-30	0	0	0	110.5
16	L	32.8	Very low	33.4	Very low	172 Å²	172	151.1 Å²	151.1	90%	0.901	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-81	134.3	167.8	-98.6	162.5	0	0	0	110.3
17	M	31.2	Very low	33.3	Very low	173 Å²	173	153.6 Å²	153.6	85%	0.852	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-92.4	134.4	162.1	-81.6	-179.9	147.5	0	0	109
18	E	33.7	Very low	33	Very low	195 Å²	195	153.8 Å²	153.8	91%	0.911	84%	0.835	S	S	*	*			trans	-130.1	137.7	150.7	-73	-165.5	133.9	0	0	109
19	M	31.9	Very low	32.9	Very low	170 Å²	170	149.5 Å²	149.5	84%	0.837	82%	0.822	S	S	*	*			trans	-109.4	124.5	171.4	-68.8	-167.8	-61	0	0	109.1
20	N	36.6	Very low	32.8	Very low	174 Å²	174	155.3 Å²	155.3	93%	0.93	82%	0.821	S	S	*	*			trans	-171	145.2	150.3	-87.1	-41.3	0	0	0	106
21	G	30	Very low	32.5	Very low	78 Å²	78	149.9 Å²	149.9	80%	0.804	81%	0.805	S	S	*	*			cis	130.6	96.1	9.5	0	0	0	0	0	108.8
22	G	30.7	Very low	32	Very low	80 Å²	80	153.1 Å²	153.1	83%	0.825	82%	0.816	S	S	*	*			trans	161.6	122.5	179.6	0	0	0	0	0	113.9
23	T	27	Very low	31.9	Very low	140 Å²	140	153 Å²	153	86%	0.859	82%	0.821	S	S	*	*			trans	-123.8	116.8	174	-61	0	0	0	0	109
24	I	33.2	Very low	31.7	Very low	154 Å²	154	147.6 Å²	147.6	79%	0.79	81%	0.814	S	S	*	*			trans	-137.7	128.7	169.8	-62.8	-176.5	0	0	0	109
25	K	28.4	Very low	31.6	Very low	190 Å²	190	143.6 Å²	143.6	83%	0.826	81%	0.805	S	S	*	*			trans	-95.1	151.9	159	-66.6	177.5	176.9	-179.5	0	108.1
26	N	33.9	Very low	31.5	Very low	160 Å²	160	145.2 Å²	145.2	86%	0.856	81%	0.807	S	S	*	*			trans	-149.5	157.1	159	-102.5	-24.4	0	0	0	110.5
27	E	30.3	Very low	31.4	Very low	176 Å²	176	140 Å²	140	82%	0.822	80%	0.795	S	S	*	*			trans	-121.8	174	-168.3	-58	-176.2	129	0	0	113
28	S	31.5	Very low	31.4	Very low	104 Å²	104	137.3 Å²	137.3	73%	0.727	79%	0.793	S	S	*	*			trans	91.1	153.6	141.6	80.1	0	0	0	0	121.4
29	L	31.3	Very low	31.1	Very low	136 Å²	136	133.4 Å²	133.4	71%	0.712	79%	0.787	S	S	*	*			trans	67.9	142.3	171.6	-45	177.4	0	0	0	115.4
30	Y	31.9	Very low	31	Very low	199 Å²	199	135.2 Å²	135.2	78%	0.78	79%	0.791	S	S	*	*			cis	-130.3	157.8	2.3	-82.9	-96.3	0	0	0	108.5
31	S	31.3	Very low	30.4	Very low	77 Å²	77	130 Å²	130	54%	0.538	78%	0.779	S	S	.	*			cis	79	128	17.6	78.5	0	0	0	0	117.5
32	L	29	Very low	30.5	Very low	159 Å²	159	134 Å²	134	83%	0.832	78%	0.779	S	S	*	*			cis	-106.3	-129.6	-5.9	-62	83.5	0	0	0	110.5
33	L	31.5	Very low	30.1	Very low	167 Å²	167	138.5 Å²	138.5	87%	0.874	78%	0.779	S	S	*	*			cis	-137.3	173.3	8.2	-86.1	170.8	0	0	0	111
34	A	30.2	Very low	30.3	Very low	93 Å²	93	137.3 Å²	137.3	77%	0.769	78%	0.776	S	S	*	*			trans	-108.8	-173.5	173.1	0	0	0	0	0	110.4
35	S	32.8	Very low	30	Very low	91 Å²	91	139.4 Å²	139.4	64%	0.636	78%	0.78	S	S	*	*			cis	-168.7	166.5	22.6	56.2	0	0	0	0	112.4
36	N	32.2	Very low	30	Very low	162 Å²	162	135.1 Å²	135.1	87%	0.866	77%	0.774	S	S	*	*			trans	66	146	158.3	-53.3	-25.8	0	0	0	118.5
37	G	31	Very low	29.7	Very low	63 Å²	63	132.1 Å²	132.1	65%	0.649	77%	0.765	S	S	*	*			cis	176.8	166.5	-6.2	0	0	0	0	0	112.3
38	S	30.9	Very low	29.8	Very low	115 Å²	115	131.2 Å²	131.2	80%	0.804	77%	0.766	S	S	*	*			trans	39.3	109.5	166.4	55.1	0	0	0	0	118.9
39	S	27.2	Very low	29.8	Very low	113 Å²	113	132 Å²	132	79%	0.79	77%	0.767	S	S	*	*				59.7	100.1	73	-172.2	0	0	0	0	115.3
40	F	29.8	Very low	29.6	Very low	209 Å²	209	135.4 Å²	135.4	92%	0.917	78%	0.776	S	S	*	*			trans	-158.8	142.9	137.4	-114.4	-76.3	0	0	0	109.3
41	G	25	Very low	29.5	Very low	65 Å²	65	131.2 Å²	131.2	67%	0.67	78%	0.775	S	S	*	*			trans	-117	152.4	175	0	0	0	0	0	111.5
42	I	30.5	Very low	29.3	Very low	160 Å²	160	135.4 Å²	135.4	82%	0.821	79%	0.791	S	S	*	*			trans	-153.8	136.4	169.5	-101.1	149.7	0	0	0	108.5
43	E	23.9	Very low	29.2	Very low	176 Å²	176	135 Å²	135	82%	0.822	79%	0.789	S	S	*	*			trans	-76	137.8	168.5	-64.3	-174.8	99.7	0	0	110.6
44	S	30.3	Very low	29.3	Very low	114 Å²	114	130.7 Å²	130.7	80%	0.797	77%	0.766	S	S	*	*			trans	-146.2	134.1	160.7	58.4	0	0	0	0	112
45	K	26.4	Very low	29.4	Very low	198 Å²	198	134.7 Å²	134.7	86%	0.861	77%	0.773	S	S	*	*			trans	-101.3	116.2	-176.3	-67.6	166.8	-177.5	161.3	0	109.8
46	S	30	Very low	29.4	Very low	101 Å²	101	133.9 Å²	133.9	71%	0.706	77%	0.772	S	S	*	*			trans	-157.9	106.6	164.8	-178.9	0	0	0	0	108.4
47	S	27.7	Very low	29.6	Very low	97 Å²	97	131.8 Å²	131.8	68%	0.678	76%	0.757	S	S	*	*				72.9	70.5	61.6	81.8	0	0	0	0	115.4
48	N	31.2	Very low	29.7	Very low	157 Å²	157	135.5 Å²	135.5	84%	0.84	76%	0.761	S	S	*	*			trans	-144.4	106.9	153.5	-90.8	-46.4	0	0	0	107.5
49	V	31.5	Very low	29.9	Very low	121 Å²	121	140.2 Å²	140.2	73%	0.733	76%	0.761	S	S	*	*				84.4	83.1	57.8	-177.5	0	0	0	0	113.7
50	K	27.2	Very low	30.5	Very low	207 Å²	207	141.8 Å²	141.8	90%	0.9	76%	0.756	S	S	*	*			trans	27	101.6	140	-62.5	-180	177.1	179.5	0	120.1
51	S	30.1	Very low	30.9	Very low	111 Å²	111	139.8 Å²	139.8	78%	0.776	75%	0.75	S	S	*	*			trans	-155.5	139.5	133	52.8	0	0	0	0	106.8
52	L	26.8	Very low	31.6	Very low	164 Å²	164	146.2 Å²	146.2	86%	0.859	76%	0.759	S	S	*	*			cis	58.3	75	23.2	-67.7	-178.2	0	0	0	114.6
53	L	27.8	Very low	31.9	Very low	151 Å²	151	145.1 Å²	145.1	79%	0.791	75%	0.751	S	S	*	*				-165.5	161.4	126.8	-125.2	71	0	0	0	112.6
54	N	32.5	Very low	32.5	Very low	76 Å²	76	143.2 Å²	143.2	41%	0.406	75%	0.746	S	S	.	*			trans	58.1	55.7	153.1	-62.5	0.8	0	0	0	121.7	A56 Q57	N54-A56 PolarHBondContact O-N 3.32Å; N54-Q57 PolarHBondContact ND2-OE1 3.45Å
55	I	32.3	Very low	32.7	Very low	177 Å²	177	146.8 Å²	146.8	91%	0.908	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	52.3	147.1	-47.3	-179.1	0	0	0	109.8
56	A	33.5	Very low	33.1	Very low	74 Å²	74	145.7 Å²	145.7	61%	0.612	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.2	-22.8	-176.7	0	0	0	0	0	112.5	N54	N54-A56 PolarHBondContact O-N 3.32Å
57	Q	35.8	Very low	33.1	Very low	118 Å²	118	148.8 Å²	148.8	55%	0.551	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-20.4	179.3	-68.6	-176.8	-75.9	0	0	114	N54 R59	N54-Q57 PolarHBondContact ND2-OE1 3.45Å; Q57-R59 PolarHBondContact O-N 3.2Å
58	L	33	Very low	33.3	Very low	142 Å²	142	148.3 Å²	148.3	74%	0.743	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	30.8	174.5	-67.3	172	0	0	0	113.7
59	R	35.9	Very low	33.5	Very low	214 Å²	214	148.8 Å²	148.8	81%	0.808	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	-8.2	178.5	-114.6	-177.6	-177.7	-179.4	1.4	114.7	Q57	Q57-R59 PolarHBondContact O-N 3.2Å
60	E	40.1	Very low	33.6	Very low	146 Å²	146	150.7 Å²	150.7	68%	0.682	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-33.2	-179.6	-64.8	-177.6	115.3	0	0	112.4	K62 Q63	E60-K62 VanDerWaalsContact C-N 3.3Å; E60-K62 PolarHBondContact O-N 3.14Å; E60-Q63 WeakPolarHBondContact O-CB 3.27Å; E60-Q63 PolarHBondContact O-N 3.46Å
61	E	37.2	Very low	33.7	Very low	167 Å²	167	146.6 Å²	146.6	78%	0.78	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-4.1	-172.7	-61.6	-175.1	136.8	0	0	115.7
62	K	39.5	Very low	33.8	Very low	200 Å²	200	144.9 Å²	144.9	87%	0.87	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	6.3	172.9	-74	-175.3	176.7	175.6	0	114	E60	E60-K62 VanDerWaalsContact C-N 3.3Å; E60-K62 PolarHBondContact O-N 3.14Å
63	Q	37	Very low	34.1	Very low	137 Å²	137	143.5 Å²	143.5	64%	0.64	73%	0.728	S	S	*	*	S	Bend	trans	-80.4	-19.2	-178.2	-148.8	75.1	-15	0	0	113.7	E60	E60-Q63 WeakPolarHBondContact O-CB 3.27Å; E60-Q63 PolarHBondContact O-N 3.46Å
64	N	35.9	Very low	34.5	Very low	135 Å²	135	144 Å²	144	72%	0.722	73%	0.73	S	S	*	*	S	Bend	trans	-102	22.9	-166.3	-69.8	-8.7	0	0	0	115.7
65	K	35.9	Very low	34.4	Very low	190 Å²	190	146.2 Å²	146.2	83%	0.826	75%	0.746	S	S	*	*	S	Bend	trans	-140.8	26.7	179.6	-144.5	169.8	-174.5	174.8	0	116.1
66	F	34.7	Very low	34.2	Very low	175 Å²	175	145 Å²	145	77%	0.768	74%	0.742	S	S	*	*			trans	-143.2	45.5	171.2	-98	-84.9	0	0	0	110.8
67	Q	30.3	Very low	34.2	Very low	166 Å²	166	148.7 Å²	148.7	78%	0.776	75%	0.751	S	S	*	*			trans	-108.4	54.1	175.8	-70.7	-168.9	-0.9	0	0	111.9
68	S	31.4	Very low	34.1	Very low	87 Å²	87	150.4 Å²	150.4	61%	0.608	76%	0.762	S	S	*	*	S	Bend	trans	-154.4	142.1	165.7	54.4	0	0	0	0	107.8
69	E	34.4	Very low	33.8	Very low	166 Å²	166	148.7 Å²	148.7	78%	0.776	76%	0.763	S	S	*	*	S	Bend	trans	68	137.2	-179	-56.3	164.2	-163	0	0	115.3
70	N	35.1	Very low	33.7	Very low	161 Å²	161	144.9 Å²	144.9	86%	0.861	76%	0.758	S	S	*	*			trans	83.8	14.6	-177.1	-50.9	-82.5	0	0	0	118.4	A72	N70-A72 VanDerWaalsContact C-N 3.34Å; N70-A72 PolarHBondContact O-N 2.64Å
71	S	29.1	Very low	33.2	Very low	121 Å²	121	144.8 Å²	144.8	85%	0.846	76%	0.757	S	S	*	*			trans	-93.4	49.8	168.1	42	0	0	0	0	113.3
72	A	31.6	Very low	33.1	Very low	76 Å²	76	144.2 Å²	144.2	63%	0.628	76%	0.758	S	S	*	*			trans	-143.5	160.1	167	0	0	0	0	0	109.4	N70	N70-A72 VanDerWaalsContact C-N 3.34Å; N70-A72 PolarHBondContact O-N 2.64Å
73	I	34.1	Very low	32.8	Very low	134 Å²	134	137.7 Å²	137.7	69%	0.687	74%	0.738	S	S	*	*	S	Bend	trans	68.1	58.1	-177.1	-38.5	166.5	0	0	0	113.9	M1	M1-I73 HydrophobicContact SD-CD1 4.38Å
74	I	35.1	Very low	32.4	Very low	161 Å²	161	138.6 Å²	138.6	83%	0.826	75%	0.747	S	S	*	*	S	Bend	trans	-155.4	16	148.7	-107.5	152.2	0	0	0	113.4
75	T	29.7	Very low	32.2	Very low	123 Å²	123	141.8 Å²	141.8	76%	0.755	76%	0.755	S	S	*	*	S	Bend	trans	-132.3	75.1	178.4	49.6	0	0	0	0	111.2
76	D	29	Very low	31.8	Very low	152 Å²	152	138 Å²	138	81%	0.813	75%	0.752	S	S	*	*			trans	-160.2	150	163.8	-108.2	-38.8	0	0	0	110.9
77	N	33	Very low	31.7	Very low	151 Å²	151	137.8 Å²	137.8	81%	0.807	76%	0.758	S	S	*	*	S	Bend	trans	67.6	41.9	171.6	-62.1	-68.4	0	0	0	119.3
78	I	33.2	Very low	31.7	Very low	154 Å²	154	133.3 Å²	133.3	79%	0.79	76%	0.757	S	S	*	*			trans	-127.9	86.4	141.3	-55.4	-177.8	0	0	0	108.9
79	S	27.8	Very low	31.6	Very low	107 Å²	107	138.1 Å²	138.1	75%	0.748	77%	0.77	S	S	*	*			trans	-85.2	110.8	170.3	-173	0	0	0	0	110.1
80	L	33.9	Very low	31.5	Very low	134 Å²	134	138.4 Å²	138.4	70%	0.702	78%	0.776	S	S	*	*			trans	-132.1	102	161.8	-78.9	177.2	0	0	0	108.1	L82	L80-L82 PolarHBondContact O-N 3.28Å
81	H	28.9	Very low	31.2	Very low	144 Å²	144	140.1 Å²	140.1	67%	0.667	78%	0.776	S	S	*	*			trans	-54.5	127.4	175.7	-111.8	-103.6	0	0	0	111.4	P573	H81-P573 HydrophobicContact CB-CG 4.49Å; H81-P573 WeakPolarHBondContact O-CD 3.21Å; H81-P573 WeakPolarHBondContact O-CG 3.34Å
82	L	35.4	Very low	31.5	Very low	154 Å²	154	140 Å²	140	81%	0.806	77%	0.773	S	S	*	*			trans	-142.3	131.2	153.6	-98.5	169.6	0	0	0	108.1	L80 P573	L80-L82 PolarHBondContact O-N 3.28Å; L82-P573 HydrophobicContact CD2-CG 4.09Å; L82-P573 HydrophobicContact CG-CG 4.45Å
83	S	33.8	Very low	31.4	Very low	63 Å²	63	144.8 Å²	144.8	44%	0.441	78%	0.782	S	S	.	*			trans	-93.3	141.9	-165.2	58.3	0	0	0	0	113.3	R576	S83-R576 PolarHBondContact OG-NH2 3.15Å
84	N	28.5	Very low	31.2	Very low	156 Å²	156	145.6 Å²	145.6	83%	0.834	79%	0.786	S	S	*	*			trans	-26.4	141.4	171.5	-54.2	-9.9	0	0	0	116.5
85	F	32.1	Very low	31	Very low	202 Å²	202	145.6 Å²	145.6	89%	0.886	79%	0.788	S	S	*	*			trans	-119.3	141.1	148.7	-118.2	-89.6	0	0	0	108.8
86	S	27	Very low	31.2	Very low	110 Å²	110	148.9 Å²	148.9	77%	0.769	79%	0.791	S	S	*	*			trans	-103.2	145.7	178.7	-175.4	0	0	0	0	110.1
87	L	32.4	Very low	31.7	Very low	171 Å²	171	147.6 Å²	147.6	90%	0.895	79%	0.791	S	S	*	*			trans	-148.6	137.1	165.7	-113.8	160.3	0	0	0	109.7
88	G	31	Very low	31.6	Very low	72 Å²	72	144.1 Å²	144.1	74%	0.742	79%	0.792	S	S	*	*			trans	-73.4	164.2	-168.8	0	0	0	0	0	114.6
89	Q	28.6	Very low	31.6	Very low	189 Å²	189	144.6 Å²	144.6	88%	0.883	80%	0.796	S	S	*	*			trans	-78.2	148	178.1	-56.9	179.1	9.4	0	0	111.6
90	N	33.2	Very low	31.9	Very low	171 Å²	171	151.6 Å²	151.6	91%	0.914	81%	0.806	S	S	*	*			trans	-153.5	147.7	136.9	-101.7	-36.9	0	0	0	110.7
91	K	28.5	Very low	31.9	Very low	197 Å²	197	150.5 Å²	150.5	86%	0.857	81%	0.809	S	S	*	*			trans	-133.1	151	-178.7	-112.3	179.2	-179	177.5	0	106.6
92	P	34	Very low	32.2	Very low	119 Å²	119	148 Å²	148	77%	0.773	81%	0.808	S	S	*	*				-152.8	163.3	88.4	37.7	-18	0	0	0	118.3
93	Q	31.4	Very low	32.2	Very low	176 Å²	176	152.2 Å²	152.2	82%	0.822	81%	0.813	S	S	*	*			trans	24.2	107.9	147.7	-59.7	-174.5	-5.9	0	0	122.4
94	I	28.8	Very low	32.2	Very low	151 Å²	151	154.1 Å²	154.1	77%	0.774	83%	0.827	S	S	*	*				24.4	123.8	112	-57.8	169.6	0	0	0	117.9
95	N	32.1	Very low	32.4	Very low	161 Å²	161	158.1 Å²	158.1	86%	0.861	83%	0.83	S	S	*	*				-155.6	159.5	129.8	-106.9	-31.7	0	0	0	112.9
96	K	32.2	Very low	32.5	Very low	192 Å²	192	155.5 Å²	155.5	84%	0.835	83%	0.831	S	S	*	*			trans	-156.6	168.9	-174.3	-101.4	-170.8	178.5	-178.3	0	108.6
97	P	39.3	Very low	32.6	Very low	125 Å²	125	159.5 Å²	159.5	81%	0.812	83%	0.834	S	S	*	*			cis	-128.3	-173.2	-32.9	39	-23.4	0	0	0	111.3
98	G	32.9	Very low	32.6	Very low	79 Å²	79	163 Å²	163	81%	0.814	84%	0.836	S	S	*	*			trans	-147.3	126.3	172.1	0	0	0	0	0	113.7
99	N	31.9	Very low	32.5	Very low	164 Å²	164	166.6 Å²	166.6	88%	0.877	84%	0.838	S	S	*	*			trans	-90.2	149.7	176.9	-88.7	-29.2	0	0	0	112.2
100	R	34.2	Very low	32.9	Very low	254 Å²	254	164 Å²	164	96%	0.958	84%	0.835	S	S	*	*			trans	-165.5	164.7	131.1	-105.5	158.7	-165.5	-151.6	2.4	112.7
101	S	34.3	Very low	32.9	Very low	110 Å²	110	160.5 Å²	160.5	77%	0.769	82%	0.824	S	S	*	*			trans	-107.2	171.4	-166	56.3	0	0	0	0	112
102	S	35.4	Very low	33.3	Very low	92 Å²	92	157.2 Å²	157.2	64%	0.643	82%	0.823	S	S	*	*				168.3	158.8	71.2	53.3	0	0	0	0	113.8
103	R	34.3	Very low	33.1	Very low	242 Å²	242	163 Å²	163	91%	0.913	83%	0.829	S	S	*	*			trans	59	158	153.9	-71.4	171.7	175.4	175.3	-2	117.9
104	S	35	Very low	33	Very low	104 Å²	104	160.9 Å²	160.9	73%	0.727	83%	0.829	S	S	*	*			cis	-157	133	-3.1	25.4	0	0	0	0	108.6
105	R	32.1	Very low	33	Very low	239 Å²	239	164.3 Å²	164.3	90%	0.902	83%	0.833	S	S	*	*				77.6	100.3	78.2	-169.2	-162.1	-170.8	-173.9	5.2	116.1
106	T	34.4	Very low	32.9	Very low	148 Å²	148	163.4 Å²	163.4	91%	0.908	83%	0.829	S	S	*	*			trans	-159.6	160.3	143.9	8.8	0	0	0	0	111.9
107	K	29.3	Very low	32.7	Very low	193 Å²	193	159.3 Å²	159.3	84%	0.839	82%	0.824	S	S	*	*			trans	-133.7	160	178.1	-72.2	-177.7	177.2	178.7	0	110.3
108	R	32.6	Very low	32.2	Very low	246 Å²	246	158.8 Å²	158.8	93%	0.928	82%	0.824	S	S	*	*			trans	-152.5	153.3	147	-124.4	175.9	-81.1	-163.1	-1.2	110.6
109	N	29.2	Very low	32	Very low	147 Å²	147	163.1 Å²	163.1	79%	0.786	82%	0.82	S	S	*	*			trans	-124.7	149.4	-175.9	-79	-8.6	0	0	0	110.3
110	T	35.3	Very low	31.9	Very low	133 Å²	133	163.4 Å²	163.4	82%	0.816	82%	0.82	S	S	*	*			trans	-170.7	105.8	151.5	27.1	0	0	0	0	106.8
111	S	34.6	Very low	31.6	Very low	99 Å²	99	157.6 Å²	157.6	69%	0.692	80%	0.804	S	S	*	*				73.8	102.6	84.7	67.7	0	0	0	0	114.5
112	P	35.3	Very low	31.4	Very low	128 Å²	128	160.2 Å²	160.2	83%	0.831	81%	0.81	S	S	*	*			trans	-88.2	155.1	173.7	36.1	-33.6	0	0	0	112.5
113	W	29.8	Very low	31.2	Very low	240 Å²	240	162.9 Å²	162.9	91%	0.909	81%	0.812	S	S	*	*			trans	-87.8	149.1	173.3	-78.9	81	0	0	0	112.5
114	T	29.9	Very low	31	Very low	131 Å²	131	157.5 Å²	157.5	80%	0.804	80%	0.801	S	S	*	*			trans	-122.4	152.8	161.3	46.9	0	0	0	0	109.1
115	Y	30	Very low	30.9	Very low	223 Å²	223	161.2 Å²	161.2	88%	0.875	80%	0.804	S	S	*	*			trans	-140.9	155.4	169.7	-150.9	-93.1	0	0	0	110.5
116	N	29.9	Very low	30.6	Very low	143 Å²	143	155.5 Å²	155.5	77%	0.765	80%	0.801	S	S	*	*			trans	-111	146	-159.9	-100.9	-26.5	0	0	0	114.8
117	S	26.6	Very low	30.5	Very low	106 Å²	106	153.8 Å²	153.8	74%	0.741	79%	0.793	S	S	*	*			trans	40.3	108.9	135.1	-160.4	0	0	0	0	121.2
118	S	30.2	Very low	30.4	Very low	114 Å²	114	154.6 Å²	154.6	80%	0.797	80%	0.796	S	S	*	*			trans	-167.5	112	132.9	40.7	0	0	0	0	106.6
119	K	27.3	Very low	30.5	Very low	170 Å²	170	150.1 Å²	150.1	74%	0.739	79%	0.789	S	S	*	*				63.3	92.9	61.6	-159	-171.6	-176.9	-168.7	0	112.9	E121	K119-E121 IonicContact NZ-OE2 2.68Å
120	L	30.6	Very low	30.6	Very low	169 Å²	169	154.3 Å²	154.3	89%	0.885	79%	0.794	S	S	*	*			trans	-149.1	121	158.4	-124.3	162.4	0	0	0	108.5
121	E	27	Very low	30.2	Very low	132 Å²	132	155.7 Å²	155.7	62%	0.617	80%	0.796	S	S	*	*			trans	-84.6	151.9	175.8	-68.8	157.5	70.8	0	0	109.7	K119	K119-E121 IonicContact NZ-OE2 2.68Å
122	N	31.6	Very low	29.9	Very low	166 Å²	166	162.1 Å²	162.1	89%	0.888	81%	0.805	S	S	*	*			trans	-151.1	143.6	144.6	-128.5	-34.1	0	0	0	112.2
123	Q	29.4	Very low	29.4	Very low	147 Å²	147	162.6 Å²	162.6	69%	0.687	81%	0.806	S	S	*	*			trans	-106.7	144.7	-173.3	-55.4	173.5	8	0	0	110.3
124	N	32	Very low	29.4	Very low	129 Å²	129	156.6 Å²	156.6	69%	0.69	80%	0.795	S	S	*	*			trans	-175.4	112.9	138.2	-91.7	-42.5	0	0	0	108.7
125	K	32.7	Very low	29.2	Very low	183 Å²	183	155 Å²	155	80%	0.796	80%	0.795	S	S	*	*				75.5	107.8	92.8	-73.2	-178.7	-161.3	153.6	0	114.6
126	S	24.5	Very low	29.2	Very low	118 Å²	118	149.7 Å²	149.7	83%	0.825	79%	0.79	S	S	*	*			trans	-77.2	159.1	163	-40.2	0	0	0	0	111.6
127	P	33.1	Very low	29.1	Very low	113 Å²	113	146.5 Å²	146.5	73%	0.734	79%	0.791	S	S	*	*			trans	-121.4	148.2	145.3	35.4	-27.3	0	0	0	112.4
128	K	27.7	Very low	29.4	Very low	210 Å²	210	147.6 Å²	147.6	91%	0.913	79%	0.793	S	S	*	*			trans	-94.9	126	168	-66.3	177.1	-179.7	176.3	0	109.4
129	I	33.3	Very low	29.3	Very low	152 Å²	152	149.3 Å²	149.3	78%	0.779	79%	0.793	S	S	*	*			trans	-135.7	100.8	166	-54.5	-179.1	0	0	0	105.4
130	R	32.6	Very low	29.6	Very low	235 Å²	235	150.9 Å²	150.9	89%	0.887	80%	0.8	S	S	*	*				71.5	113.5	72.6	-148.9	178.9	-159.1	-178	5.3	111.7
131	N	25.3	Very low	29.6	Very low	161 Å²	161	150.5 Å²	150.5	86%	0.861	80%	0.799	S	S	*	*			trans	-57.5	146.3	-169.1	-57.2	-2.3	0	0	0	113.7
132	R	29	Very low	29.8	Very low	234 Å²	234	152.7 Å²	152.7	88%	0.883	81%	0.809	S	S	*	*			trans	-144.1	109.5	151.6	-139.6	176	-169.1	176	2.4	110.2
133	T	25.4	Very low	29.8	Very low	139 Å²	139	151.3 Å²	151.3	85%	0.853	81%	0.806	S	S	*	*			trans	-67.5	131	171.1	-46.4	0	0	0	0	108.8
134	V	30.1	Very low	29.8	Very low	113 Å²	113	149.9 Å²	149.9	69%	0.685	81%	0.81	S	S	*	*			trans	-131.2	115.3	168.3	-178.7	0	0	0	0	107.3
135	A	25.5	Very low	29.8	Very low	97 Å²	97	150.4 Å²	150.4	80%	0.802	82%	0.818	S	S	*	*			trans	-89.1	126.4	169.1	0	0	0	0	0	108.5
136	C	30.5	Very low	29.7	Very low	112 Å²	112	151.3 Å²	151.3	76%	0.757	82%	0.822	S	S	*	*			trans	-123.4	106.1	166	-69.2	0	0	0	0	107.5
137	G	26.6	Very low	29.8	Very low	77 Å²	77	151.8 Å²	151.8	79%	0.794	82%	0.82	S	S	*	*			trans	-70	155.8	163.1	0	0	0	0	0	110.4
138	V	32.8	Very low	29.7	Very low	129 Å²	129	154 Å²	154	78%	0.782	82%	0.823	S	S	*	*			trans	-138.3	126	167.1	-175.4	0	0	0	0	106.5
139	D	29.2	Very low	29.8	Very low	149 Å²	149	149 Å²	149	80%	0.797	81%	0.813	S	S	*	*			trans	-70.8	140.3	-166.6	-54.2	-77.6	0	0	0	113.6
140	F	33.3	Very low	29.8	Very low	204 Å²	204	152 Å²	152	90%	0.895	82%	0.82	S	S	*	*			trans	-86.9	112.8	160.5	-80.9	-92.5	0	0	0	108.6	E142	F140-E142 PolarHBondContact O-N 3.02Å; F140-E142 VanDerWaalsContact O-N 3.15Å
141	N	29.2	Very low	29.7	Very low	161 Å²	161	145.7 Å²	145.7	86%	0.861	81%	0.812	S	S	*	*			trans	-74.9	99.4	167.7	-82.3	-39	0	0	0	109.7
142	E	31.1	Very low	30	Very low	177 Å²	177	143.6 Å²	143.6	83%	0.827	81%	0.809	S	S	*	*			trans	-67.9	150.4	164	-67.2	-170.4	122.5	0	0	111.3	F140	F140-E142 PolarHBondContact O-N 3.02Å; F140-E142 VanDerWaalsContact O-N 3.15Å
143	V	32.1	Very low	30.1	Very low	137 Å²	137	138.1 Å²	138.1	83%	0.83	80%	0.801	S	S	*	*			trans	-105.8	116.4	164.5	178.4	0	0	0	0	107.2
144	P	29.8	Very low	30.5	Very low	117 Å²	117	138.4 Å²	138.4	76%	0.76	80%	0.797	S	S	*	*			trans	-83.5	142.7	-163.5	31.2	-36.2	0	0	0	113.9
145	V	31.6	Very low	30.7	Very low	141 Å²	141	142.1 Å²	142.1	86%	0.855	81%	0.807	S	S	*	*			trans	-121.4	140	162.8	-178.2	0	0	0	0	108.6
146	K	30	Very low	31	Very low	202 Å²	202	142.8 Å²	142.8	88%	0.878	80%	0.803	S	S	*	*			trans	-79.3	133.2	-160.1	-61.7	175	-179.3	176.4	0	113.9
147	T	26.7	Very low	31.2	Very low	128 Å²	128	144.6 Å²	144.6	79%	0.785	81%	0.811	S	S	*	*			trans	-82	148.2	166.5	-34.7	0	0	0	0	111.6
148	I	31.2	Very low	31.5	Very low	158 Å²	158	145.8 Å²	145.8	81%	0.81	81%	0.807	S	S	*	*			trans	-122.2	122.6	164	-62.1	173.3	0	0	0	107.8
149	P	29.6	Very low	31.6	Very low	107 Å²	107	147.1 Å²	147.1	70%	0.695	81%	0.809	S	S	*	*			trans	-95.5	148.9	-179	35.8	-33.4	0	0	0	113
150	K	34	Very low	31.7	Very low	214 Å²	214	145.2 Å²	145.2	93%	0.93	81%	0.805	S	S	*	*			trans	-159	163	147.3	-111.9	162	-172.1	179	0	110.8
151	S	30.1	Very low	31.6	Very low	103 Å²	103	141.7 Å²	141.7	72%	0.72	80%	0.8	S	S	*	*			trans	-116.4	-176.6	-152.9	56.3	0	0	0	0	114.3
152	C	31.5	Very low	31.6	Very low	117 Å²	117	138.1 Å²	138.1	79%	0.791	79%	0.787	S	S	*	*			trans	89	145.4	170.1	-52.9	0	0	0	0	116.6
153	V	31.9	Very low	31.6	Very low	118 Å²	118	136.9 Å²	136.9	72%	0.715	79%	0.786	S	S	*	*			cis	179.2	151.2	-40.1	132.6	0	0	0	0	107.8
154	N	33.7	Very low	31.6	Very low	145 Å²	145	138.9 Å²	138.9	78%	0.775	78%	0.78	S	S	*	*			trans	72.4	108	171.1	-66.8	-10.6	0	0	0	120.6
155	E	33.2	Very low	31.7	Very low	191 Å²	191	142.3 Å²	142.3	89%	0.893	79%	0.786	S	S	*	*			trans	31.9	157.3	130.6	-68.5	-148.5	116.4	0	0	125.4
156	P	32.3	Very low	31.7	Very low	111 Å²	111	140 Å²	140	72%	0.721	78%	0.776	S	S	*	*			trans	-110.4	159.6	-159.6	41	-31.9	0	0	0	116.4
157	T	34.5	Very low	32	Very low	151 Å²	151	137.9 Å²	137.9	93%	0.926	77%	0.772	S	S	*	*			trans	-131.2	167.5	160.4	32	0	0	0	0	110.9
158	S	34	Very low	32.3	Very low	101 Å²	101	137.4 Å²	137.4	71%	0.706	77%	0.774	S	S	*	*			trans	-120.1	175	-149.5	53.9	0	0	0	0	115.9
159	L	33.6	Very low	32.4	Very low	158 Å²	158	136.3 Å²	136.3	83%	0.827	78%	0.775	S	S	*	*			trans	80.5	164.1	170.8	-47.5	175.6	0	0	0	115.6
160	P	32.2	Very low	32.7	Very low	109 Å²	109	136.8 Å²	136.8	71%	0.708	78%	0.781	S	S	*	*				-135.6	167.1	-68.4	39.5	-24.5	0	0	0	115.6	S162	P160-S162 PolarHBondContact O-N 3.36Å
161	V	30.8	Very low	32.7	Very low	129 Å²	129	132.6 Å²	132.6	78%	0.782	78%	0.777	S	S	*	*			trans	2.1	101.4	157.8	-169.6	0	0	0	0	119
162	S	29.6	Very low	33	Very low	86 Å²	86	134 Å²	134	60%	0.601	78%	0.781	S	S	*	*			trans	-176.7	91.1	135	51	0	0	0	0	112.6	P160	P160-S162 PolarHBondContact O-N 3.36Å
163	L	31.4	Very low	32.9	Very low	152 Å²	152	138.4 Å²	138.4	80%	0.796	79%	0.787	S	S	*	*			trans	-144.4	60.2	171.1	-99.8	178.5	0	0	0	112.6	S166	L163-S166 VanDerWaalsContact CD2-OG 3.31Å; L163-S166 WeakPolarHBondContact CD2-OG 3.46Å
164	Y	32.6	Very low	33	Very low	178 Å²	178	138.2 Å²	138.2	70%	0.698	79%	0.791	S	S	*	*			trans	-86.3	151.8	148.9	13.4	-89.6	0	0	0	107.7
165	E	31.5	Very low	32.9	Very low	190 Å²	190	137 Å²	137	89%	0.888	79%	0.793	S	S	*	*	S	Bend	trans	64.4	81.8	-179.8	-51.4	-171.3	131.7	0	0	116.8
166	S	32	Very low	33	Very low	92 Å²	92	133.6 Å²	133.6	64%	0.643	79%	0.791	S	S	*	*			trans	-175.9	27.6	154.3	37.2	0	0	0	0	117.2	L163	L163-S166 VanDerWaalsContact CD2-OG 3.31Å; L163-S166 WeakPolarHBondContact CD2-OG 3.46Å
167	I	36.4	Very low	33	Very low	158 Å²	158	135.7 Å²	135.7	81%	0.81	80%	0.796	S	S	*	*			trans	-127.6	80.2	170.8	-50.1	-178.2	0	0	0	110.7
168	S	31.8	Very low	33.1	Very low	118 Å²	118	137.6 Å²	137.6	83%	0.825	79%	0.792	S	S	*	*			trans	-136.9	47.3	-177.7	-65.9	0	0	0	0	113.1
169	T	34.8	Very low	33.2	Very low	134 Å²	134	139.4 Å²	139.4	82%	0.822	80%	0.799	S	S	*	*			trans	-150.1	148.7	172.6	7	0	0	0	0	113
170	S	34.8	Very low	33.5	Very low	118 Å²	118	139.4 Å²	139.4	83%	0.825	80%	0.798	S	S	*	*			trans	77.6	66.5	171.5	83.5	0	0	0	0	120.2
171	C	33.5	Very low	34.7	Very low	125 Å²	125	139 Å²	139	85%	0.845	79%	0.785	S	S	*	*	S	Bend		-159.7	125.3	121.4	-129.9	0	0	0	0	113.3
172	V	37.2	Very low	36.6	Very low	133 Å²	133	138.6 Å²	138.6	81%	0.806	78%	0.783	S	S	*	*			trans	26.2	118.8	163.4	-169	0	0	0	0	119.7
173	K	29.7	Very low	39.5	Very low	209 Å²	209	136.8 Å²	136.8	91%	0.909	77%	0.77	S	S	*	*			trans	-86.3	127.7	168.2	-63.4	178.8	-179.9	178.5	0	112.1
174	S	33.3	Very low	42.5	Very low	115 Å²	115	131.2 Å²	131.2	80%	0.804	74%	0.74	S	S	*	*			trans	-153.4	128.8	150	60.9	0	0	0	0	110.7
175	S	32.1	Very low	45.6	Very low	118 Å²	118	125.1 Å²	125.1	83%	0.825	72%	0.722	S	S	*	*			trans	-70.8	126.4	-165.7	49.9	0	0	0	0	116.3
176	S	35.2	Very low	48.7	Very low	120 Å²	120	116.7 Å²	116.7	84%	0.839	68%	0.683	S	S	*	*				173.7	158.9	128.5	42.8	0	0	0	0	111.7	K178	S176-K178 PolarHBondContact O-N 3.05Å
177	D	31.4	Very low	51.8	Low	156 Å²	156	117.7 Å²	117.7	83%	0.834	68%	0.678	S	S	*	*			trans	-63.3	117.6	-170.9	-77	-68	0	0	0	115.8
178	K	36.6	Very low	54.6	Low	191 Å²	191	114.7 Å²	114.7	83%	0.83	66%	0.662	S	S	*	*			trans	-164.4	152.5	133.8	-96.3	132.3	-160.9	163.5	0	110.8	S176 I180	S176-K178 PolarHBondContact O-N 3.05Å; K178-I180 PolarHBondContact O-N 3.2Å
179	T	36.1	Very low	57.7	Low	139 Å²	139	109 Å²	109	85%	0.853	62%	0.622	S	S	*	*			trans	-67.3	100.8	-179.5	28.5	0	0	0	0	112.1	K181	T179-K181 PolarHBondContact O-N 2.99Å
180	I	41.2	Very low	60.6	Low	157 Å²	157	104.7 Å²	104.7	81%	0.805	59%	0.593	S	S	*	*			trans	-66.5	102.1	166	-59.1	175.6	0	0	0	107.7	K178 T182	K178-I180 PolarHBondContact O-N 3.2Å; I180-T182 PolarHBondContact O-N 2.93Å
181	K	57.7	Low	63.5	Low	101 Å²	101	107.8 Å²	107.8	44%	0.439	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-62.5	120.9	164.6	-81.8	-179.1	171.6	175.8	0	107.9	T179 C183 Y270	T179-K181 PolarHBondContact O-N 2.99Å; K181-C183 PolarHBondContact O-N 3.39Å; K181-Y270 PolarHBondContact NZ-OH 2.94Å
182	T	69.8	Low	66.5	Low	120 Å²	120	107.3 Å²	107.3	74%	0.736	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-67.7	124.9	-176.8	38.7	0	0	0	0	111	I180	I180-T182 PolarHBondContact O-N 2.93Å
183	C	90.1	Very high	69.3	Low	49 Å²	49	104.4 Å²	104.4	33%	0.331	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-79.9	139.5	168.5	-171.5	0	0	0	0	109.3	K181 Y210 Y212	K181-C183 PolarHBondContact O-N 3.39Å; C183-Y210 VanDerWaalsContact SG-CA 3.54Å; C183-Y210 VanDerWaalsContact SG-CB 3.56Å; C183-Y212 HydrophobicContact CB-CD1 4Å; C183-Y212 HydrophobicContact CB-CE1 3.68Å; C183-Y212 VanDerWaalsContact SG-CE1 3.59Å
184	L	95.8	Very high	72.5	Confident	34 Å²	34	98.8 Å²	98.8	18%	0.178	53%	0.531	C	S	.	.	B	Isolated β-bridge	trans	-100.4	151.9	174.8	-59.7	177	0	0	0	110.4	M188 A189 L192 Y193 V211	L184-M188 HydrophobicContact CB-CB 4.21Å; L184-M188 HydrophobicContact CD2-CB 4.22Å; L184-M188 HydrophobicContact CD2-SD 4.49Å; L184-A189 HydrophobicContact CB-CB 4.28Å; L184-A189 HydrophobicContact CD1-CB 4.32Å; L184-L192 HydrophobicContact CD1-CD1 3.94Å; L184-L192 HydrophobicContact CD2-CD1 4.17Å; L184-Y193 HydrophobicContact CD1-CE2 3.87Å; L184-V211 HydrophobicContact CB-CB 4.28Å; L184-V211 PolarHBondContact N-O 3.1Å; L184-V211 PolarHBondContact O-N 3.33Å
185	T	96.5	Very high	75.4	Confident	51 Å²	51	101.7 Å²	101.7	31%	0.313	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-78.5	163.5	163	78.3	0	0	0	0	110.1	E187 M188 A189	T185-E187 WeakPolarHBondContact CB-OE2 3.45Å; T185-E187 PolarHBondContact O-N 3.37Å; T185-E187 PolarHBondContact OG1-N 3.12Å; T185-E187 PolarHBondContact OG1-OE2 2.8Å; T185-M188 HydrophobicContact CG2-SD 4.4Å; T185-M188 PolarHBondContact O-N 3.13Å; T185-M188 PolarHBondContact OG1-N 3.15Å; T185-A189 WeakPolarHBondContact O-CB 3.31Å; T185-A189 PolarHBondContact O-N 3.28Å
186	P	96.9	Very high	78.4	Confident	12 Å²	12	101.7 Å²	101.7	8%	0.078	52%	0.517	C	S	.	.	H	α-helix	trans	-53.3	-39.3	173.5	-27.7	36.4	0	0	0	113.4	A189 M190 I205 Y208	P186-A189 PolarHBondContact O-N 3.39Å; P186-M190 VanDerWaalsContact O-CB 3.31Å; P186-M190 WeakPolarHBondContact O-CB 3.1Å; P186-M190 VanDerWaalsContact O-CG 3.26Å; P186-M190 WeakPolarHBondContact O-CG 3.3Å; P186-M190 PolarHBondContact O-N 2.88Å; P186-I205 HydrophobicContact CB-CG1 4.42Å; P186-Y208 WeakPolarHBondContact CG-O 3.32Å
187	E	96.2	Very high	81.3	Confident	114 Å²	114	96.6 Å²	96.6	53%	0.533	48%	0.48	S	S	.	.	H	α-helix	trans	-71.4	-38.5	-177.8	-49.3	69.6	-146.9	0	0	111.4	T185 K191	T185-E187 WeakPolarHBondContact CB-OE2 3.45Å; T185-E187 PolarHBondContact O-N 3.37Å; T185-E187 PolarHBondContact OG1-N 3.12Å; T185-E187 PolarHBondContact OG1-OE2 2.8Å; E187-K191 WeakPolarHBondContact O-CB 3.29Å; E187-K191 VanDerWaalsContact O-CG 3.25Å; E187-K191 WeakPolarHBondContact O-CG 3.44Å; E187-K191 PolarHBondContact O-N 3.2Å
188	M	96.3	Very high	84.3	Confident	94 Å²	94	89.5 Å²	89.5	46%	0.463	44%	0.443	S	S	.	.	H	α-helix	trans	-67.8	-43.7	173.3	-67.9	-176.2	179.3	0	0	111.2	L184 T185 K191 L192	L184-M188 HydrophobicContact CB-CB 4.21Å; L184-M188 HydrophobicContact CD2-CB 4.22Å; L184-M188 HydrophobicContact CD2-SD 4.49Å; T185-M188 HydrophobicContact CG2-SD 4.4Å; T185-M188 PolarHBondContact O-N 3.13Å; T185-M188 PolarHBondContact OG1-N 3.15Å; M188-K191 PolarHBondContact O-N 2.57Å; M188-L192 WeakPolarHBondContact O-CB 3.39Å; M188-L192 WeakPolarHBondContact O-CG 3.27Å; M188-L192 PolarHBondContact O-N 3.36Å
189	A	96.8	Very high	87	Confident	0 Å²	0	83.9 Å²	83.9	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-64	-40.9	177.6	0	0	0	0	0	111.9	L184 T185 P186 L192 Y193 I205 V211	L184-A189 HydrophobicContact CB-CB 4.28Å; L184-A189 HydrophobicContact CD1-CB 4.32Å; T185-A189 WeakPolarHBondContact O-CB 3.31Å; T185-A189 PolarHBondContact O-N 3.28Å; P186-A189 PolarHBondContact O-N 3.39Å; A189-L192 PolarHBondContact O-N 3.03Å; A189-Y193 WeakPolarHBondContact O-CB 3.39Å; A189-Y193 WeakPolarHBondContact O-CD2 3.45Å; A189-Y193 PolarHBondContact O-N 2.98Å; A189-I205 HydrophobicContact CB-CD1 3.68Å; A189-V211 HydrophobicContact CB-CB 4.05Å; A189-V211 HydrophobicContact CB-CG1 3.74Å; A189-V211 HydrophobicContact CB-CG2 4.11Å
190	M	96.1	Very high	89.9	Confident	42 Å²	42	79.1 Å²	79.1	21%	0.207	40%	0.398	C	S	.	.	H	α-helix	trans	-61.8	-49.8	172.1	-77.9	-70	-84	0	0	111.4	P186 L192 Y193 F194 L197 H202 I205	P186-M190 VanDerWaalsContact O-CB 3.31Å; P186-M190 WeakPolarHBondContact O-CB 3.1Å; P186-M190 VanDerWaalsContact O-CG 3.26Å; P186-M190 WeakPolarHBondContact O-CG 3.3Å; P186-M190 PolarHBondContact O-N 2.88Å; M190-L192 VanDerWaalsContact C-N 3.29Å; M190-L192 PolarHBondContact O-N 3.26Å; M190-Y193 PolarHBondContact O-N 3.34Å; M190-F194 HydrophobicContact CE-CD2 3.76Å; M190-F194 HydrophobicContact CE-CE2 3.84Å; M190-F194 WeakPolarHBondContact O-CA 3.35Å; M190-F194 VanDerWaalsContact O-CB 3.27Å; M190-F194 WeakPolarHBondContact O-CB 3.47Å; M190-F194 PolarHBondContact O-N 2.69Å; M190-F194 HydrophobicContact SD-CD2 4.37Å; M190-L197 HydrophobicContact SD-CD1 3.68Å; M190-H202 HydrophobicContact CE-CB 3.78Å; M190-H202 HydrophobicContact SD-CB 4.4Å; M190-I205 HydrophobicContact CG-CG2 3.81Å; M190-I205 HydrophobicContact SD-CG2 3.91Å
191	K	95.7	Very high	92.5	Very high	184 Å²	184	71.7 Å²	71.7	80%	0.8	36%	0.36	S	S	*	.	H	α-helix	trans	-57.7	-37.8	177.8	-76.4	171.7	-179.5	-179.1	0	113.4	E187 M188	E187-K191 WeakPolarHBondContact O-CB 3.29Å; E187-K191 VanDerWaalsContact O-CG 3.25Å; E187-K191 WeakPolarHBondContact O-CG 3.44Å; E187-K191 PolarHBondContact O-N 3.2Å; M188-K191 PolarHBondContact O-N 2.57Å
192	L	95.6	Very high	94.3	Very high	114 Å²	114	69.3 Å²	69.3	60%	0.597	35%	0.35	S	S	*	.	H	α-helix	trans	-85	-30.3	-177.9	-68.3	171.4	0	0	0	113.9	L184 M188 A189 M190	L184-L192 HydrophobicContact CD1-CD1 3.94Å; L184-L192 HydrophobicContact CD2-CD1 4.17Å; M188-L192 WeakPolarHBondContact O-CB 3.39Å; M188-L192 WeakPolarHBondContact O-CG 3.27Å; M188-L192 PolarHBondContact O-N 3.36Å; A189-L192 PolarHBondContact O-N 3.03Å; M190-L192 VanDerWaalsContact C-N 3.29Å; M190-L192 PolarHBondContact O-N 3.26Å
193	Y	96.4	Very high	95.4	Very high	72 Å²	72	69.4 Å²	69.4	28%	0.282	34%	0.343	S	S	.	.	H	α-helix	trans	-126.9	12.7	-168.8	-57.9	-67.8	0	0	0	114.9	L184 A189 M190 H195 K196 L197 V214 H216	L184-Y193 HydrophobicContact CD1-CE2 3.87Å; A189-Y193 WeakPolarHBondContact O-CB 3.39Å; A189-Y193 WeakPolarHBondContact O-CD2 3.45Å; A189-Y193 PolarHBondContact O-N 2.98Å; M190-Y193 PolarHBondContact O-N 3.34Å; Y193-H195 VanDerWaalsContact C-N 3.3Å; Y193-H195 PolarHBondContact O-N 3.28Å; Y193-H195 VanDerWaalsContact O-N 3.13Å; Y193-K196 CarbonylContact O-C 3.55Å; Y193-K196 WeakPolarHBondContact O-CA 3.47Å; Y193-K196 WeakPolarHBondContact O-CB 3.3Å; Y193-K196 PolarHBondContact O-N 3.12Å; Y193-L197 PolarHBondContact O-N 3.29Å; Y193-L197 VanDerWaalsContact O-N 3.12Å; Y193-V214 HydrophobicContact CD1-CG2 4.01Å; Y193-V214 HydrophobicContact CD2-CB 4.47Å; Y193-V214 HydrophobicContact CD2-CG1 4.06Å; Y193-V214 HydrophobicContact CD2-CG2 3.72Å; Y193-V214 HydrophobicContact CE1-CG2 4.26Å; Y193-V214 HydrophobicContact CE2-CG2 3.97Å; Y193-V214 HydrophobicContact CG-CG2 3.74Å; Y193-H216 HydrophobicContact CD1-CB 4.15Å; Y193-H216 HydrophobicContact CE1-CB 4.43Å; Y193-H216 AromaticContact CE1-ND1 3.92Å
194	F	95.9	Very high	95.7	Very high	92 Å²	92	67.9 Å²	67.9	40%	0.404	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-43.4	-52.2	-178	-169.6	-103.6	0	0	0	113.6	M190 K196 L197 H202	M190-F194 HydrophobicContact CE-CD2 3.76Å; M190-F194 HydrophobicContact CE-CE2 3.84Å; M190-F194 WeakPolarHBondContact O-CA 3.35Å; M190-F194 VanDerWaalsContact O-CB 3.27Å; M190-F194 WeakPolarHBondContact O-CB 3.47Å; M190-F194 PolarHBondContact O-N 2.69Å; M190-F194 HydrophobicContact SD-CD2 4.37Å; F194-K196 PolarHBondContact O-N 2.91Å; F194-L197 PolarHBondContact O-N 3.43Å; F194-H202 AromaticContact CD2-NE2 3.82Å; F194-H202 AromaticContact CE2-CE1 3.72Å; F194-H202 AromaticContact CE2-ND1 3.95Å; F194-H202 AromaticContact CE2-NE2 3.85Å; F194-H202 AromaticContact CZ-CE1 3.76Å; F194-H202 PolarHBondContact O-NE2 3.13Å
195	H	95	Very high	95.8	Very high	175 Å²	175	66.4 Å²	66.4	81%	0.81	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-76.9	4.4	-178.7	-45	-77.2	0	0	0	114.6	Y193	Y193-H195 VanDerWaalsContact C-N 3.3Å; Y193-H195 PolarHBondContact O-N 3.28Å; Y193-H195 VanDerWaalsContact O-N 3.13Å
196	K	95.6	Very high	95.7	Very high	119 Å²	119	67.9 Å²	67.9	52%	0.517	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-119.7	-6.5	177.9	-60.2	-62.8	-172.9	174.6	0	112.8	Y193 F194 H216 K220	Y193-K196 CarbonylContact O-C 3.55Å; Y193-K196 WeakPolarHBondContact O-CA 3.47Å; Y193-K196 WeakPolarHBondContact O-CB 3.3Å; Y193-K196 PolarHBondContact O-N 3.12Å; F194-K196 PolarHBondContact O-N 2.91Å; K196-H216 HydrophobicContact CB-CB 3.91Å; K196-H216 HydrophobicContact CG-CB 4.21Å; K196-K220 WeakPolarHBondContact O-CE 3.35Å
197	L	95.8	Very high	95.7	Very high	13 Å²	13	73 Å²	73	7%	0.068	36%	0.362	C	S	.	.	S	Bend	trans	-97.2	146.8	172	-65.2	173.3	0	0	0	109.5	M190 Y193 F194 E201 H202 I205 V214 Y250	M190-L197 HydrophobicContact SD-CD1 3.68Å; Y193-L197 PolarHBondContact O-N 3.29Å; Y193-L197 VanDerWaalsContact O-N 3.12Å; F194-L197 PolarHBondContact O-N 3.43Å; L197-E201 HydrophobicContact CB-CB 4.08Å; L197-E201 HydrophobicContact CD2-CB 4.14Å; L197-H202 PolarHBondContact O-NE2 3Å; L197-I205 HydrophobicContact CD1-CD1 3.95Å; L197-V214 HydrophobicContact CD2-CB 4.11Å; L197-V214 HydrophobicContact CD2-CG1 4.41Å; L197-Y250 HydrophobicContact CD2-CE1 4.43Å
198	S	94.9	Very high	95.7	Very high	7 Å²	7	69.9 Å²	69.9	5%	0.049	35%	0.345	C	S	.	.			trans	-76.7	161.5	170.7	61.1	0	0	0	0	111.6	Y200 E201 H202	S198-Y200 PolarHBondContact O-N 2.82Å; S198-E201 WeakPolarHBondContact CB-OE2 3.41Å; S198-E201 PolarHBondContact N-OE2 2.82Å; S198-E201 WeakPolarHBondContact O-CA 3.24Å; S198-E201 WeakPolarHBondContact O-CB 3.25Å; S198-E201 PolarHBondContact O-N 2.98Å; S198-E201 WeakPolarHBondContact OG-CG 3.48Å; S198-E201 PolarHBondContact OG-N 3.26Å; S198-E201 PolarHBondContact OG-OE2 3.44Å; S198-H202 PolarHBondContact O-N 3.04Å
199	A	93.4	Very high	95.7	Very high	72 Å²	72	69.4 Å²	69.4	60%	0.595	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.8	178.2	0	0	0	0	0	113.5
200	Y	95.5	Very high	95.7	Very high	40 Å²	40	76.9 Å²	76.9	16%	0.157	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-44.7	170.9	-169.8	-84.6	0	0	0	111.2	S198 H202 Q203 E204 L225 C231 Y233 R324	S198-Y200 PolarHBondContact O-N 2.82Å; Y200-H202 VanDerWaalsContact C-N 3.32Å; Y200-H202 PolarHBondContact O-N 3.43Å; Y200-Q203 PolarHBondContact O-N 3.16Å; Y200-Q203 VanDerWaalsContact O-N 3.15Å; Y200-E204 HydrophobicContact CD1-CB 4.15Å; Y200-E204 HydrophobicContact CE1-CB 4.15Å; Y200-E204 HydrophobicContact CE1-CG 4.31Å; Y200-E204 WeakPolarHBondContact O-CB 3.4Å; Y200-E204 PolarHBondContact O-N 3.24Å; Y200-L225 HydrophobicContact CD2-CD2 4.15Å; Y200-L225 HydrophobicContact CD2-CG 4.21Å; Y200-L225 HydrophobicContact CE2-CD2 3.67Å; Y200-L225 HydrophobicContact CE2-CG 4.24Å; Y200-C231 HydrophobicContact CE2-CB 4.05Å; Y200-Y233 AromaticContact CD1-CE2 3.8Å; Y200-Y233 HydrophobicContact CD1-CE2 3.8Å; Y200-Y233 HydrophobicContact CD2-CE2 4Å; Y200-Y233 AromaticContact CE1-CE2 3.86Å; Y200-Y233 HydrophobicContact CE1-CE2 3.86Å; Y200-Y233 HydrophobicContact CE2-CE2 4.05Å; Y200-Y233 AromaticContact CG-CE2 3.89Å; Y200-Y233 HydrophobicContact CG-CE2 3.89Å; Y200-Y233 AromaticContact CZ-CE2 3.98Å; Y200-R324 HydrophobicContact CE1-CG 4.26Å
201	E	96.9	Very high	95.8	Very high	0 Å²	0	75 Å²	75	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-69.3	-27	-179.7	-73.2	158.7	164.5	0	0	113.4	L197 S198 Q203 I205 K220 H247 Y250 R324	L197-E201 HydrophobicContact CB-CB 4.08Å; L197-E201 HydrophobicContact CD2-CB 4.14Å; S198-E201 WeakPolarHBondContact CB-OE2 3.41Å; S198-E201 PolarHBondContact N-OE2 2.82Å; S198-E201 WeakPolarHBondContact O-CA 3.24Å; S198-E201 WeakPolarHBondContact O-CB 3.25Å; S198-E201 PolarHBondContact O-N 2.98Å; S198-E201 WeakPolarHBondContact OG-CG 3.48Å; S198-E201 PolarHBondContact OG-N 3.26Å; S198-E201 PolarHBondContact OG-OE2 3.44Å; E201-Q203 PolarHBondContact O-N 2.99Å; E201-I205 VanDerWaalsContact O-CB 3.25Å; E201-I205 WeakPolarHBondContact O-CB 3.26Å; E201-I205 VanDerWaalsContact O-CG2 3.24Å; E201-I205 WeakPolarHBondContact O-CG2 3.25Å; E201-I205 PolarHBondContact O-N 3.19Å; E201-K220 IonicContact OE1-NZ 3.92Å; E201-K220 PolarHBondContact OE1-NZ 3.24Å; E201-K220 WeakPolarHBondContact OE2-CD 3.43Å; E201-K220 WeakPolarHBondContact OE2-CE 3.25Å; E201-K220 IonicContact OE2-NZ 3.3Å; E201-K220 PolarHBondContact OE2-NZ 3.06Å; E201-K220 VanDerWaalsContact OE2-NZ 3.16Å; E201-H247 IonicContact OE1-CD2 2.67Å; E201-H247 IonicContact OE1-CE1 2.67Å; E201-H247 IonicContact OE1-NE2 2.83Å; E201-H247 PolarHBondContact OE1-NE2 3.33Å; E201-Y250 WeakPolarHBondContact CB-OH 3.49Å; E201-Y250 PolarHBondContact O-OH 3.26Å; E201-R324 IonicContact OE1-CZ 2.73Å; E201-R324 IonicContact OE1-NH1 3.89Å; E201-R324 IonicContact OE1-NH2 3.62Å; E201-R324 PolarHBondContact OE1-NH2 3.45Å
202	H	95.1	Very high	95.9	Very high	52 Å²	52	69.1 Å²	69.1	24%	0.241	34%	0.343	C	S	.	.	H	α-helix	trans	-59.7	-27.9	171.2	-64.7	164	0	0	0	112.9	M190 F194 L197 S198 Y200	M190-H202 HydrophobicContact CE-CB 3.78Å; M190-H202 HydrophobicContact SD-CB 4.4Å; F194-H202 AromaticContact CD2-NE2 3.82Å; F194-H202 AromaticContact CE2-CE1 3.72Å; F194-H202 AromaticContact CE2-ND1 3.95Å; F194-H202 AromaticContact CE2-NE2 3.85Å; F194-H202 AromaticContact CZ-CE1 3.76Å; F194-H202 PolarHBondContact O-NE2 3.13Å; L197-H202 PolarHBondContact O-NE2 3Å; S198-H202 PolarHBondContact O-N 3.04Å; Y200-H202 VanDerWaalsContact C-N 3.32Å; Y200-H202 PolarHBondContact O-N 3.43Å
203	Q	93.3	Very high	96	Very high	122 Å²	122	64.6 Å²	64.6	57%	0.57	32%	0.318	S	S	*	.	H	α-helix	trans	-93.7	-48.8	174.7	-58	-177	7.3	0	0	110.9	Y200 E201 I205 S206	Y200-Q203 PolarHBondContact O-N 3.16Å; Y200-Q203 VanDerWaalsContact O-N 3.15Å; E201-Q203 PolarHBondContact O-N 2.99Å; Q203-I205 VanDerWaalsContact C-N 3.31Å; Q203-I205 PolarHBondContact O-N 3.27Å; Q203-S206 PolarHBondContact O-N 2.77Å; Q203-S206 PolarHBondContact O-OG 3.47Å
204	E	96.4	Very high	96	Very high	17 Å²	17	61.4 Å²	61.4	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-54.7	-42.4	-177.3	-173.6	-175.7	-126.1	0	0	112.8	Y200 S206 N207 Y208 H247 Y250 F323 R324	Y200-E204 HydrophobicContact CD1-CB 4.15Å; Y200-E204 HydrophobicContact CE1-CB 4.15Å; Y200-E204 HydrophobicContact CE1-CG 4.31Å; Y200-E204 WeakPolarHBondContact O-CB 3.4Å; Y200-E204 PolarHBondContact O-N 3.24Å; E204-S206 PolarHBondContact O-N 3.16Å; E204-S206 VanDerWaalsContact O-N 3.12Å; E204-N207 WeakPolarHBondContact O-CB 3.48Å; E204-N207 PolarHBondContact O-N 2.82Å; E204-N207 PolarHBondContact O-ND2 2.98Å; E204-Y208 HydrophobicContact CG-CD2 4.46Å; E204-Y208 HydrophobicContact CG-CE2 3.94Å; E204-Y208 WeakPolarHBondContact O-CD2 3.48Å; E204-H247 IonicContact OE2-CE1 2.74Å; E204-Y250 HydrophobicContact CG-CE2 4.1Å; E204-Y250 PolarHBondContact OE2-OH 2.94Å; E204-F323 WeakPolarHBondContact OE1-CE2 3.46Å; E204-R324 WeakPolarHBondContact OE1-CG 3.4Å; E204-R324 IonicContact OE1-CZ 3.17Å; E204-R324 IonicContact OE1-NE 2.73Å; E204-R324 PolarHBondContact OE1-NE 2.83Å; E204-R324 IonicContact OE1-NH2 3.82Å; E204-R324 IonicContact OE2-CZ 3.19Å; E204-R324 IonicContact OE2-NE 3.95Å; E204-R324 PolarHBondContact OE2-NE 3.32Å; E204-R324 VanDerWaalsContact OE2-NE 3.13Å; E204-R324 IonicContact OE2-NH2 3.94Å; E204-R324 PolarHBondContact OE2-NH2 3.06Å
205	I	96.8	Very high	96.1	Very high	2 Å²	2	57 Å²	57	1%	0.01	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-59.1	-28.2	-173.5	-161.6	166	0	0	0	114	P186 A189 M190 L197 E201 Q203 N207 Y208 V211 Y250	P186-I205 HydrophobicContact CB-CG1 4.42Å; A189-I205 HydrophobicContact CB-CD1 3.68Å; M190-I205 HydrophobicContact CG-CG2 3.81Å; M190-I205 HydrophobicContact SD-CG2 3.91Å; L197-I205 HydrophobicContact CD1-CD1 3.95Å; E201-I205 VanDerWaalsContact O-CB 3.25Å; E201-I205 WeakPolarHBondContact O-CB 3.26Å; E201-I205 VanDerWaalsContact O-CG2 3.24Å; E201-I205 WeakPolarHBondContact O-CG2 3.25Å; E201-I205 PolarHBondContact O-N 3.19Å; Q203-I205 VanDerWaalsContact C-N 3.31Å; Q203-I205 PolarHBondContact O-N 3.27Å; I205-N207 PolarHBondContact O-N 3.46Å; I205-N207 VanDerWaalsContact O-N 3.17Å; I205-Y208 PolarHBondContact O-N 2.87Å; I205-V211 HydrophobicContact CD1-CG2 4.05Å; I205-V211 HydrophobicContact CG1-CG2 3.87Å; I205-Y250 HydrophobicContact CB-CE1 3.94Å; I205-Y250 HydrophobicContact CB-CE2 4.22Å; I205-Y250 WeakPolarHBondContact CB-OH 3.33Å; I205-Y250 HydrophobicContact CD1-CD1 4.04Å; I205-Y250 HydrophobicContact CD1-CE1 3.67Å; I205-Y250 HydrophobicContact CG1-CD1 4.02Å; I205-Y250 HydrophobicContact CG1-CE1 3.64Å; I205-Y250 HydrophobicContact CG1-CE2 4.3Å; I205-Y250 HydrophobicContact CG1-CG 4.47Å; I205-Y250 PolarHBondContact N-OH 2.74Å
206	S	95.8	Very high	96.1	Very high	82 Å²	82	51.7 Å²	51.7	57%	0.573	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-59.8	-24.8	177.3	64.7	0	0	0	0	113.5	Q203 E204 Y208	Q203-S206 PolarHBondContact O-N 2.77Å; Q203-S206 PolarHBondContact O-OG 3.47Å; E204-S206 PolarHBondContact O-N 3.16Å; E204-S206 VanDerWaalsContact O-N 3.12Å; S206-Y208 VanDerWaalsContact C-N 3.3Å; S206-Y208 PolarHBondContact O-N 2.74Å
207	N	95.9	Very high	96	Very high	119 Å²	119	52.2 Å²	52.2	64%	0.636	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-82.4	-5.8	179.2	-56.2	-81.7	0	0	0	113.3	E204 I205 P209	E204-N207 WeakPolarHBondContact O-CB 3.48Å; E204-N207 PolarHBondContact O-N 2.82Å; E204-N207 PolarHBondContact O-ND2 2.98Å; I205-N207 PolarHBondContact O-N 3.46Å; I205-N207 VanDerWaalsContact O-N 3.17Å; N207-P209 WeakPolarHBondContact O-CD 3.39Å
208	Y	96.9	Very high	96.1	Very high	49 Å²	49	52.4 Å²	52.4	19%	0.192	27%	0.274	C	S	.	.			trans	-117.7	85.9	-173.4	-69.4	-85.2	0	0	0	110.4	P186 E204 I205 S206 Y210 A249 Y250 T322	P186-Y208 WeakPolarHBondContact CG-O 3.32Å; E204-Y208 HydrophobicContact CG-CD2 4.46Å; E204-Y208 HydrophobicContact CG-CE2 3.94Å; E204-Y208 WeakPolarHBondContact O-CD2 3.48Å; I205-Y208 PolarHBondContact O-N 2.87Å; S206-Y208 VanDerWaalsContact C-N 3.3Å; S206-Y208 PolarHBondContact O-N 2.74Å; Y208-Y210 PolarHBondContact O-N 2.86Å; Y208-A249 HydrophobicContact CD1-CB 4.35Å; Y208-A249 HydrophobicContact CE1-CB 3.72Å; Y208-Y250 HydrophobicContact CD1-CD2 4.15Å; Y208-Y250 AromaticContact CD2-CD2 3.43Å; Y208-Y250 HydrophobicContact CD2-CD2 3.43Å; Y208-Y250 VanDerWaalsContact CD2-CD2 3.43Å; Y208-Y250 AromaticContact CD2-CE2 3.48Å; Y208-Y250 HydrophobicContact CD2-CE2 3.48Å; Y208-Y250 VanDerWaalsContact CD2-CE2 3.48Å; Y208-Y250 HydrophobicContact CE2-CD2 4.08Å; Y208-Y250 AromaticContact CE2-CE2 3.97Å; Y208-Y250 HydrophobicContact CE2-CE2 3.97Å; Y208-Y250 AromaticContact CG-CD2 3.49Å; Y208-Y250 HydrophobicContact CG-CD2 3.49Å; Y208-Y250 VanDerWaalsContact CG-CD2 3.49Å; Y208-Y250 HydrophobicContact CG-CE2 4.05Å; Y208-Y250 HydrophobicContact CG-CG 4.49Å; Y208-T322 PolarHBondContact OH-O 2.77Å
209	P	96	Very high	96.1	Very high	85 Å²	85	61.3 Å²	61.3	55%	0.552	31%	0.312	S	S	*	.	S	Bend	trans	-62.7	-11.2	-172.4	25.5	-35.9	0	0	0	114.7	N207	N207-P209 WeakPolarHBondContact O-CD 3.39Å
210	Y	96.4	Very high	96.2	Very high	156 Å²	156	59.5 Å²	59.5	61%	0.612	29%	0.291	S	S	*	.			trans	-128.2	107.5	178.5	-60.1	-59.7	0	0	0	110.2	C183 Y208	C183-Y210 VanDerWaalsContact SG-CA 3.54Å; C183-Y210 VanDerWaalsContact SG-CB 3.56Å; Y208-Y210 PolarHBondContact O-N 2.86Å
211	V	97.8	Very high	96.1	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.012	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-104.3	116.6	178.4	176.1	0	0	0	0	109.5	L184 A189 I205 V214 Y250	L184-V211 HydrophobicContact CB-CB 4.28Å; L184-V211 PolarHBondContact N-O 3.1Å; L184-V211 PolarHBondContact O-N 3.33Å; A189-V211 HydrophobicContact CB-CB 4.05Å; A189-V211 HydrophobicContact CB-CG1 3.74Å; A189-V211 HydrophobicContact CB-CG2 4.11Å; I205-V211 HydrophobicContact CD1-CG2 4.05Å; I205-V211 HydrophobicContact CG1-CG2 3.87Å; V211-V214 HydrophobicContact CG1-CG1 3.6Å; V211-Y250 HydrophobicContact CG1-CD1 4.33Å; V211-Y250 HydrophobicContact CG2-CD1 4.48Å; V211-Y250 HydrophobicContact CG2-CG 4.39Å
212	Y	97.9	Very high	95.8	Very high	61 Å²	61	68 Å²	68	24%	0.239	33%	0.332	C	S	.	.	S	Bend	trans	-109.4	-26.3	177.4	-51.8	-91.6	0	0	0	112.6	C183 Y250 R251 K273	C183-Y212 HydrophobicContact CB-CD1 4Å; C183-Y212 HydrophobicContact CB-CE1 3.68Å; C183-Y212 VanDerWaalsContact SG-CE1 3.59Å; Y212-Y250 PolarHBondContact N-O 2.97Å; Y212-R251 HydrophobicContact CD2-CB 4.03Å; Y212-R251 HydrophobicContact CD2-CG 4.09Å; Y212-K273 HydrophobicContact CD1-CB 3.74Å; Y212-K273 HydrophobicContact CD1-CG 4.3Å; Y212-K273 HydrophobicContact CD2-CB 4.11Å; Y212-K273 HydrophobicContact CE1-CB 3.61Å; Y212-K273 HydrophobicContact CE1-CG 3.65Å; Y212-K273 HydrophobicContact CE2-CB 3.99Å; Y212-K273 HydrophobicContact CE2-CD 4.48Å; Y212-K273 HydrophobicContact CE2-CG 4.24Å; Y212-K273 HydrophobicContact CG-CB 3.99Å
213	F	97.8	Very high	95.5	Very high	20 Å²	20	66 Å²	66	9%	0.088	33%	0.326	C	S	.	.			trans	-154.9	133.1	-178.7	-175.6	-105.9	0	0	0	112.6	G215 H245 H247 Y250 E253 H272	F213-G215 VanDerWaalsContact CE1-CA 3.46Å; F213-G215 VanDerWaalsContact CE1-N 3.33Å; F213-H245 WeakPolarHBondContact CE1-O 3.33Å; F213-H245 WeakPolarHBondContact CZ-O 3.4Å; F213-H247 HydrophobicContact CD1-CB 3.8Å; F213-H247 HydrophobicContact CE1-CB 4.3Å; F213-H247 WeakPolarHBondContact O-CB 3.48Å; F213-Y250 PolarHBondContact N-O 2.97Å; F213-Y250 CarbonylContact O-C 3.51Å; F213-Y250 VanDerWaalsContact O-C 3.23Å; F213-Y250 VanDerWaalsContact O-CA 3.23Å; F213-Y250 WeakPolarHBondContact O-CA 3.48Å; F213-E253 HydrophobicContact CD1-CB 3.87Å; F213-E253 HydrophobicContact CD1-CG 4.45Å; F213-E253 HydrophobicContact CE1-CB 3.54Å; F213-E253 HydrophobicContact CE1-CG 3.63Å; F213-E253 HydrophobicContact CE2-CB 4.4Å; F213-E253 HydrophobicContact CE2-CG 4.36Å; F213-E253 HydrophobicContact CG-CB 4.42Å; F213-E253 HydrophobicContact CZ-CB 3.83Å; F213-E253 HydrophobicContact CZ-CG 3.57Å; F213-H272 HydrophobicContact CB-CB 4.08Å; F213-H272 AromaticContact CD2-CD2 3.85Å; F213-H272 AromaticContact CD2-ND1 3.97Å; F213-H272 AromaticContact CD2-NE2 3.64Å; F213-H272 AromaticContact CE2-NE2 3.79Å; F213-H272 AromaticContact CG-CD2 3.71Å
214	V	97.6	Very high	95.2	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.024	32%	0.324	C	S	.	.			trans	-115.4	0.1	-173.9	-65.7	0	0	0	0	114.7	Y193 L197 V211 H216 K220 H247 Y250	Y193-V214 HydrophobicContact CD1-CG2 4.01Å; Y193-V214 HydrophobicContact CD2-CB 4.47Å; Y193-V214 HydrophobicContact CD2-CG1 4.06Å; Y193-V214 HydrophobicContact CD2-CG2 3.72Å; Y193-V214 HydrophobicContact CE1-CG2 4.26Å; Y193-V214 HydrophobicContact CE2-CG2 3.97Å; Y193-V214 HydrophobicContact CG-CG2 3.74Å; L197-V214 HydrophobicContact CD2-CB 4.11Å; L197-V214 HydrophobicContact CD2-CG1 4.41Å; V211-V214 HydrophobicContact CG1-CG1 3.6Å; V214-H216 VanDerWaalsContact C-N 3.31Å; V214-H216 HydrophobicContact CG2-CB 3.92Å; V214-H216 PolarHBondContact O-N 2.95Å; V214-K220 VanDerWaalsContact O-CE 3.26Å; V214-K220 WeakPolarHBondContact O-CE 3.26Å; V214-K220 PolarHBondContact O-NZ 3.04Å; V214-K220 VanDerWaalsContact O-NZ 3.1Å; V214-H247 PolarHBondContact O-CD2 2.77Å; V214-Y250 HydrophobicContact CG1-CD1 4.32Å
215	G	97.3	Very high	94.7	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.346	C	S	.	.			trans	61.4	33.3	-179.5	0	0	0	0	0	114.7	F213 N217 A218 H245	F213-G215 VanDerWaalsContact CE1-CA 3.46Å; F213-G215 VanDerWaalsContact CE1-N 3.33Å; G215-N217 PolarHBondContact O-N 3.46Å; G215-A218 VanDerWaalsContact O-CB 3.23Å; G215-A218 WeakPolarHBondContact O-CB 3.44Å; G215-A218 PolarHBondContact O-N 2.98Å; G215-H245 WeakPolarHBondContact CA-O 3.34Å
216	H	94.9	Very high	94	Very high	63 Å²	63	73.2 Å²	73.2	29%	0.292	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.3	-169	56.8	-102.5	0	0	0	115.9	Y193 K196 V214	Y193-H216 HydrophobicContact CD1-CB 4.15Å; Y193-H216 HydrophobicContact CE1-CB 4.43Å; Y193-H216 AromaticContact CE1-ND1 3.92Å; K196-H216 HydrophobicContact CB-CB 3.91Å; K196-H216 HydrophobicContact CG-CB 4.21Å; V214-H216 VanDerWaalsContact C-N 3.31Å; V214-H216 HydrophobicContact CG2-CB 3.92Å; V214-H216 PolarHBondContact O-N 2.95Å
217	N	94.6	Very high	93.6	Very high	131 Å²	131	72.2 Å²	72.2	70%	0.701	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-0.2	174.2	-65.5	-38.2	0	0	0	113.2	G215	G215-N217 PolarHBondContact O-N 3.46Å
218	A	96.6	Very high	93.3	Very high	17 Å²	17	69 Å²	69	14%	0.14	37%	0.373	C	S	.	.	S	Bend	trans	-77.3	149.6	-178.2	0	0	0	0	0	112.2	G215 K220 T243 D246	G215-A218 VanDerWaalsContact O-CB 3.23Å; G215-A218 WeakPolarHBondContact O-CB 3.44Å; G215-A218 PolarHBondContact O-N 2.98Å; A218-K220 HydrophobicContact CB-CG 4.16Å; A218-K220 PolarHBondContact O-N 3.48Å; A218-T243 HydrophobicContact CB-CG2 4.03Å; A218-D246 HydrophobicContact CB-CB 3.69Å
219	K	95.7	Very high	93.1	Very high	194 Å²	194	70.2 Å²	70.2	84%	0.843	38%	0.383	S	S	*	.			trans	-80.5	68.1	167.6	-65.6	-173.9	178.2	-175.2	0	109.6	T243	K219-T243 VanDerWaalsContact O-CG2 3.23Å; K219-T243 WeakPolarHBondContact O-CG2 3.31Å; K219-T243 PolarHBondContact O-OG1 3.44Å
220	K	95.4	Very high	93.1	Very high	33 Å²	33	68.1 Å²	68.1	14%	0.143	37%	0.366	C	S	.	.			trans	-52.4	148.1	-174.4	-71.8	177	165.3	-67	0	112.6	K196 E201 V214 A218 D246 H247	K196-K220 WeakPolarHBondContact O-CE 3.35Å; E201-K220 IonicContact OE1-NZ 3.92Å; E201-K220 PolarHBondContact OE1-NZ 3.24Å; E201-K220 WeakPolarHBondContact OE2-CD 3.43Å; E201-K220 WeakPolarHBondContact OE2-CE 3.25Å; E201-K220 IonicContact OE2-NZ 3.3Å; E201-K220 PolarHBondContact OE2-NZ 3.06Å; E201-K220 VanDerWaalsContact OE2-NZ 3.16Å; V214-K220 VanDerWaalsContact O-CE 3.26Å; V214-K220 WeakPolarHBondContact O-CE 3.26Å; V214-K220 PolarHBondContact O-NZ 3.04Å; V214-K220 VanDerWaalsContact O-NZ 3.1Å; A218-K220 HydrophobicContact CB-CG 4.16Å; A218-K220 PolarHBondContact O-N 3.48Å; K220-D246 IonicContact NZ-OD1 3.16Å; K220-D246 PolarHBondContact NZ-OD1 3.17Å; K220-H247 PolarHBondContact NZ-CD2 3.02Å
221	R	93.7	Very high	92.9	Very high	90 Å²	90	61.5 Å²	61.5	34%	0.34	34%	0.343	S	S	.	.			trans	-83.2	125	168.5	-61.9	-176.5	66.7	77.2	-3.3	108.8	G223 G232 Y233	R221-G223 PolarHBondContact O-N 3.05Å; R221-G232 PolarHBondContact NE-O 2.95Å; R221-G232 PolarHBondContact NH2-O 2.86Å; R221-Y233 HydrophobicContact CB-CD1 4.25Å; R221-Y233 HydrophobicContact CB-CE1 3.96Å; R221-Y233 PolarHBondContact O-OH 3.05Å
222	N	90.2	Very high	92.8	Very high	128 Å²	128	62.4 Å²	62.4	68%	0.684	35%	0.353	S	S	*	.			trans	-75.3	91.9	173.3	-68.9	-18.4	0	0	0	109
223	G	87.9	Confident	92.7	Very high	10 Å²	10	59.6 Å²	59.6	10%	0.103	34%	0.342	C	S	.	.			trans	-64.9	135.1	175.3	0	0	0	0	0	111.4	R221 C231 Y233	R221-G223 PolarHBondContact O-N 3.05Å; G223-C231 VanDerWaalsContact CA-O 3.29Å; G223-C231 WeakPolarHBondContact CA-O 3.46Å; G223-Y233 PolarHBondContact N-OH 2.89Å
224	I	89	Confident	92.7	Very high	107 Å²	107	59 Å²	59	55%	0.549	34%	0.34	S	S	.	.			trans	-120.5	113	178.6	-53.6	177.9	0	0	0	108.8	G226 T227 C231	I224-G226 PolarHBondContact O-N 2.77Å; I224-T227 HydrophobicContact CB-CG2 3.72Å; I224-T227 HydrophobicContact CG2-CG2 3.66Å; I224-T227 WeakPolarHBondContact O-CB 3.23Å; I224-T227 PolarHBondContact O-N 3.12Å; I224-T227 VanDerWaalsContact O-N 3.14Å; I224-T227 PolarHBondContact O-OG1 3.46Å; I224-C231 PolarHBondContact N-O 3.18Å; I224-C231 WeakPolarHBondContact O-CA 3.39Å; I224-C231 VanDerWaalsContact O-CB 3.27Å; I224-C231 WeakPolarHBondContact O-CB 3.45Å
225	L	85	Confident	92.6	Very high	103 Å²	103	61.5 Å²	61.5	54%	0.539	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	136.6	180	-72.4	165.9	0	0	0	111.6	Y200 T227	Y200-L225 HydrophobicContact CD2-CD2 4.15Å; Y200-L225 HydrophobicContact CD2-CG 4.21Å; Y200-L225 HydrophobicContact CE2-CD2 3.67Å; Y200-L225 HydrophobicContact CE2-CG 4.24Å; L225-T227 PolarHBondContact O-N 3.27Å
226	G	81.9	Confident	92.4	Very high	83 Å²	83	68 Å²	68	86%	0.856	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	-4.8	-178.7	0	0	0	0	0	115.7	I224	I224-G226 PolarHBondContact O-N 2.77Å
227	T	86.9	Confident	92.3	Very high	61 Å²	61	70.4 Å²	70.4	37%	0.374	40%	0.399	S	S	.	.			trans	-78.5	156.1	171.2	62.4	0	0	0	0	112.4	I224 L225 C231	I224-T227 HydrophobicContact CB-CG2 3.72Å; I224-T227 HydrophobicContact CG2-CG2 3.66Å; I224-T227 WeakPolarHBondContact O-CB 3.23Å; I224-T227 PolarHBondContact O-N 3.12Å; I224-T227 VanDerWaalsContact O-N 3.14Å; I224-T227 PolarHBondContact O-OG1 3.46Å; L225-T227 PolarHBondContact O-N 3.27Å; T227-C231 PolarHBondContact O-N 3.16Å; T227-C231 VanDerWaalsContact OG1-C 3.28Å; T227-C231 WeakPolarHBondContact OG1-CA 3.3Å
228	G	90.8	Very high	92.3	Very high	53 Å²	53	64.8 Å²	64.8	55%	0.546	37%	0.372	S	S	.	.	H	α-helix	trans	-60	170.9	178.9	0	0	0	0	0	113.8	N230 G232	G228-N230 VanDerWaalsContact C-N 3.34Å; G228-N230 PolarHBondContact O-N 2.87Å; G228-G232 PolarHBondContact O-N 2.94Å
229	N	92.9	Very high	92.3	Very high	74 Å²	74	64.2 Å²	64.2	40%	0.396	37%	0.367	S	S	.	.	H	α-helix	trans	51.2	52.3	178.9	-54.7	61.9	0	0	0	111.9	G232 Y233 D234 D235 D236	N229-G232 CarbonylContact O-C 3.43Å; N229-G232 WeakPolarHBondContact O-CA 3.48Å; N229-G232 PolarHBondContact O-N 2.96Å; N229-Y233 PolarHBondContact O-N 2.77Å; N229-Y233 VanDerWaalsContact O-N 3.16Å; N229-D234 HydrophobicContact CB-CB 4.39Å; N229-D234 WeakPolarHBondContact CB-O 2.99Å; N229-D234 PolarHBondContact O-N 2.9Å; N229-D235 PolarHBondContact ND2-O 3.36Å; N229-D236 PolarHBondContact ND2-N 2.92Å; N229-D236 PolarHBondContact ND2-OD1 2.89Å
230	N	94.4	Very high	92.4	Very high	40 Å²	40	55.5 Å²	55.5	21%	0.214	33%	0.329	C	S	.	.	H	α-helix	trans	55.6	59.6	177.2	-172.2	26.2	0	0	0	112.7	G228 G232 Y233 D234 N285 R324	G228-N230 VanDerWaalsContact C-N 3.34Å; G228-N230 PolarHBondContact O-N 2.87Å; N230-G232 PolarHBondContact O-N 3.47Å; N230-G232 VanDerWaalsContact O-N 3.13Å; N230-Y233 WeakPolarHBondContact O-CB 3.39Å; N230-Y233 WeakPolarHBondContact O-CD2 3.41Å; N230-Y233 PolarHBondContact O-N 3.38Å; N230-D234 HydrophobicContact CB-CB 3.99Å; N230-D234 VanDerWaalsContact CB-OD1 3.3Å; N230-D234 WeakPolarHBondContact CB-OD1 3.46Å; N230-D234 VanDerWaalsContact CB-OD2 3.3Å; N230-D234 WeakPolarHBondContact CB-OD2 3.43Å; N230-D234 PolarHBondContact ND2-OD1 3.08Å; N230-N285 PolarHBondContact ND2-ND2 2.94Å; N230-R324 PolarHBondContact ND2-O 2.74Å
231	C	93.5	Very high	92.5	Very high	17 Å²	17	56.5 Å²	56.5	12%	0.115	34%	0.335	C	S	.	.	H	α-helix	trans	58.7	21.8	-175.3	-51.5	0	0	0	0	114.1	Y200 G223 I224 T227 Y233	Y200-C231 HydrophobicContact CE2-CB 4.05Å; G223-C231 VanDerWaalsContact CA-O 3.29Å; G223-C231 WeakPolarHBondContact CA-O 3.46Å; I224-C231 PolarHBondContact N-O 3.18Å; I224-C231 WeakPolarHBondContact O-CA 3.39Å; I224-C231 VanDerWaalsContact O-CB 3.27Å; I224-C231 WeakPolarHBondContact O-CB 3.45Å; T227-C231 PolarHBondContact O-N 3.16Å; T227-C231 VanDerWaalsContact OG1-C 3.28Å; T227-C231 WeakPolarHBondContact OG1-CA 3.3Å; C231-Y233 HydrophobicContact CB-CD2 4.32Å
232	G	94.7	Very high	92.5	Very high	22 Å²	22	53.8 Å²	53.8	23%	0.227	33%	0.327	C	S	.	.	H	α-helix	trans	82.9	11.1	-173.1	0	0	0	0	0	115.7	R221 G228 N229 N230	R221-G232 PolarHBondContact NE-O 2.95Å; R221-G232 PolarHBondContact NH2-O 2.86Å; G228-G232 PolarHBondContact O-N 2.94Å; N229-G232 CarbonylContact O-C 3.43Å; N229-G232 WeakPolarHBondContact O-CA 3.48Å; N229-G232 PolarHBondContact O-N 2.96Å; N230-G232 PolarHBondContact O-N 3.47Å; N230-G232 VanDerWaalsContact O-N 3.13Å
233	Y	96.8	Very high	92.8	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-21.4	174.7	-73.4	-67.7	0	0	0	114.3	Y200 R221 G223 N229 N230 C231 Y240 I241 R324	Y200-Y233 AromaticContact CD1-CE2 3.8Å; Y200-Y233 HydrophobicContact CD1-CE2 3.8Å; Y200-Y233 HydrophobicContact CD2-CE2 4Å; Y200-Y233 AromaticContact CE1-CE2 3.86Å; Y200-Y233 HydrophobicContact CE1-CE2 3.86Å; Y200-Y233 HydrophobicContact CE2-CE2 4.05Å; Y200-Y233 AromaticContact CG-CE2 3.89Å; Y200-Y233 HydrophobicContact CG-CE2 3.89Å; Y200-Y233 AromaticContact CZ-CE2 3.98Å; R221-Y233 HydrophobicContact CB-CD1 4.25Å; R221-Y233 HydrophobicContact CB-CE1 3.96Å; R221-Y233 PolarHBondContact O-OH 3.05Å; G223-Y233 PolarHBondContact N-OH 2.89Å; N229-Y233 PolarHBondContact O-N 2.77Å; N229-Y233 VanDerWaalsContact O-N 3.16Å; N230-Y233 WeakPolarHBondContact O-CB 3.39Å; N230-Y233 WeakPolarHBondContact O-CD2 3.41Å; N230-Y233 PolarHBondContact O-N 3.38Å; C231-Y233 HydrophobicContact CB-CD2 4.32Å; Y233-Y240 AromaticContact CD1-CE2 3.93Å; Y233-Y240 HydrophobicContact CD1-CE2 3.93Å; Y233-Y240 HydrophobicContact CG-CE2 4.12Å; Y233-I241 WeakPolarHBondContact O-CB 3.45Å; Y233-I241 WeakPolarHBondContact O-CG1 3.44Å; Y233-I241 PolarHBondContact O-N 2.69Å; Y233-R324 VanDerWaalsContact CE1-NH1 3.27Å
234	D	96.9	Very high	93.2	Very high	8 Å²	8	51 Å²	51	4%	0.043	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-101.9	158.1	-176.5	-63.9	9.9	0	0	0	112	N229 N230 S239 I241 N285 H326	N229-D234 HydrophobicContact CB-CB 4.39Å; N229-D234 WeakPolarHBondContact CB-O 2.99Å; N229-D234 PolarHBondContact O-N 2.9Å; N230-D234 HydrophobicContact CB-CB 3.99Å; N230-D234 VanDerWaalsContact CB-OD1 3.3Å; N230-D234 WeakPolarHBondContact CB-OD1 3.46Å; N230-D234 VanDerWaalsContact CB-OD2 3.3Å; N230-D234 WeakPolarHBondContact CB-OD2 3.43Å; N230-D234 PolarHBondContact ND2-OD1 3.08Å; D234-S239 WeakPolarHBondContact CA-O 3.33Å; D234-I241 VanDerWaalsContact C-CD1 3.5Å; D234-I241 VanDerWaalsContact O-CD1 3.25Å; D234-I241 WeakPolarHBondContact O-CD1 3.44Å; D234-N285 WeakPolarHBondContact OD2-CB 3.34Å; D234-N285 PolarHBondContact OD2-ND2 3.26Å; D234-H326 IonicContact OD1-CE1 3.66Å; D234-H326 PolarHBondContact OD1-CE1 3.13Å; D234-H326 IonicContact OD1-NE2 3.74Å; D234-H326 PolarHBondContact OD1-NE2 3.37Å; D234-H326 IonicContact OD2-CE1 3.28Å
235	D	94.8	Very high	93.6	Very high	57 Å²	57	50.4 Å²	50.4	31%	0.305	31%	0.313	S	S	.	.			trans	-81.1	176.9	161.4	67.8	15.5	0	0	0	112.1	N229 Q237 G238 S239 I241	N229-D235 PolarHBondContact ND2-O 3.36Å; D235-Q237 PolarHBondContact O-N 3.38Å; D235-Q237 VanDerWaalsContact OD1-CA 3.3Å; D235-Q237 WeakPolarHBondContact OD1-CA 3.38Å; D235-Q237 WeakPolarHBondContact OD1-CB 3.47Å; D235-Q237 PolarHBondContact OD1-N 3.38Å; D235-G238 PolarHBondContact O-N 3.1Å; D235-G238 VanDerWaalsContact O-N 3.08Å; D235-G238 PolarHBondContact OD1-N 3.35Å; D235-S239 PolarHBondContact N-O 3.26Å; D235-S239 WeakPolarHBondContact OD1-CB 3.23Å; D235-S239 PolarHBondContact OD1-N 3.34Å; D235-S239 PolarHBondContact OD1-OG 3.46Å; D235-S239 WeakPolarHBondContact OD2-CB 3.49Å; D235-I241 HydrophobicContact CB-CD1 4.45Å; D235-I241 HydrophobicContact CB-CG1 4.29Å
236	D	94.4	Very high	94.2	Very high	136 Å²	136	45.7 Å²	45.7	73%	0.727	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	4.9	178.1	-55.6	-43.1	0	0	0	113.7	N229	N229-D236 PolarHBondContact ND2-N 2.92Å; N229-D236 PolarHBondContact ND2-OD1 2.89Å
237	Q	93.1	Very high	95	Very high	113 Å²	113	41.8 Å²	41.8	53%	0.528	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	19.6	178.5	-57.8	-68.2	-73	0	0	111.1	D235 S239 R284	D235-Q237 PolarHBondContact O-N 3.38Å; D235-Q237 VanDerWaalsContact OD1-CA 3.3Å; D235-Q237 WeakPolarHBondContact OD1-CA 3.38Å; D235-Q237 WeakPolarHBondContact OD1-CB 3.47Å; D235-Q237 PolarHBondContact OD1-N 3.38Å; Q237-S239 PolarHBondContact O-N 2.94Å; Q237-S239 PolarHBondContact O-OG 2.91Å; Q237-R284 VanDerWaalsContact O-CD 3.26Å; Q237-R284 WeakPolarHBondContact O-CD 3.36Å; Q237-R284 PolarHBondContact O-NE 2.91Å; Q237-R284 PolarHBondContact O-NH1 2.88Å
238	G	94.9	Very high	95.5	Very high	14 Å²	14	38.9 Å²	38.9	14%	0.144	23%	0.23	C	C	.	.	S	Bend	trans	64.7	21.9	176.3	0	0	0	0	0	114.4	D235 R284 N285 H326	D235-G238 PolarHBondContact O-N 3.1Å; D235-G238 VanDerWaalsContact O-N 3.08Å; D235-G238 PolarHBondContact OD1-N 3.35Å; G238-R284 CarbonylContact O-C 3.57Å; G238-R284 VanDerWaalsContact O-CA 3.25Å; G238-R284 WeakPolarHBondContact O-CA 3.5Å; G238-N285 PolarHBondContact O-N 2.94Å; G238-H326 PolarHBondContact O-CE1 3.3Å
239	S	96.5	Very high	95.9	Very high	5 Å²	5	37 Å²	37	4%	0.035	21%	0.209	C	C	.	.			trans	-99.9	132.4	178.6	-46.4	0	0	0	0	110.6	D234 D235 Q237 I241 R284	D234-S239 WeakPolarHBondContact CA-O 3.33Å; D235-S239 PolarHBondContact N-O 3.26Å; D235-S239 WeakPolarHBondContact OD1-CB 3.23Å; D235-S239 PolarHBondContact OD1-N 3.34Å; D235-S239 PolarHBondContact OD1-OG 3.46Å; D235-S239 WeakPolarHBondContact OD2-CB 3.49Å; Q237-S239 PolarHBondContact O-N 2.94Å; Q237-S239 PolarHBondContact O-OG 2.91Å; S239-I241 PolarHBondContact O-N 2.99Å; S239-R284 PolarHBondContact OG-NE 3.07Å
240	Y	97.3	Very high	96.1	Very high	10 Å²	10	33.4 Å²	33.4	4%	0.039	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-58.4	130.7	179.8	-167.5	-108.4	0	0	0	112.4	Y233 H242 Q265 M282 R324 H326	Y233-Y240 AromaticContact CD1-CE2 3.93Å; Y233-Y240 HydrophobicContact CD1-CE2 3.93Å; Y233-Y240 HydrophobicContact CG-CE2 4.12Å; Y240-H242 AromaticContact CD1-ND1 3.75Å; Y240-H242 PolarHBondContact O-N 2.85Å; Y240-H242 VanDerWaalsContact O-N 3.1Å; Y240-Q265 PolarHBondContact O-NE2 2.87Å; Y240-M282 HydrophobicContact CD1-CE 3.63Å; Y240-M282 HydrophobicContact CD1-SD 3.81Å; Y240-M282 HydrophobicContact CD2-CE 3.93Å; Y240-M282 HydrophobicContact CE1-CE 4.14Å; Y240-M282 HydrophobicContact CE1-SD 4.36Å; Y240-M282 HydrophobicContact CE2-CE 4.39Å; Y240-M282 HydrophobicContact CG-CE 3.51Å; Y240-M282 HydrophobicContact CG-SD 4.22Å; Y240-R324 HydrophobicContact CE2-CB 4.25Å; Y240-R324 PolarHBondContact OH-NH1 3.38Å; Y240-H326 WeakPolarHBondContact CB-NE2 3.48Å; Y240-H326 AromaticContact CD2-CD2 3.51Å; Y240-H326 AromaticContact CD2-NE2 3.44Å; Y240-H326 WeakPolarHBondContact CD2-NE2 3.35Å; Y240-H326 AromaticContact CG-CD2 3.97Å; Y240-H326 AromaticContact CG-NE2 3.88Å; Y240-H326 PolarHBondContact N-CE1 2.67Å
241	I	96.3	Very high	96.3	Very high	54 Å²	54	32.9 Å²	32.9	28%	0.277	19%	0.185	S	C	.	.			trans	-83.9	86.5	176.6	-57.3	172.6	0	0	0	108.9	Y233 D234 D235 S239 T243	Y233-I241 WeakPolarHBondContact O-CB 3.45Å; Y233-I241 WeakPolarHBondContact O-CG1 3.44Å; Y233-I241 PolarHBondContact O-N 2.69Å; D234-I241 VanDerWaalsContact C-CD1 3.5Å; D234-I241 VanDerWaalsContact O-CD1 3.25Å; D234-I241 WeakPolarHBondContact O-CD1 3.44Å; D235-I241 HydrophobicContact CB-CD1 4.45Å; D235-I241 HydrophobicContact CB-CG1 4.29Å; S239-I241 PolarHBondContact O-N 2.99Å; I241-T243 PolarHBondContact O-N 2.91Å
242	H	94	Very high	96.6	Very high	33 Å²	33	32.1 Å²	32.1	15%	0.153	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-57.4	126.1	177.5	-66	-76.3	0	0	0	113.2	Y240 V254 V267 M282	Y240-H242 AromaticContact CD1-ND1 3.75Å; Y240-H242 PolarHBondContact O-N 2.85Å; Y240-H242 VanDerWaalsContact O-N 3.1Å; H242-V254 HydrophobicContact CB-CG1 4.32Å; H242-V267 VanDerWaalsContact CE1-CG1 3.43Å; H242-V267 WeakPolarHBondContact CE1-CG1 3.35Å; H242-M282 PolarHBondContact CE1-SD 2.92Å
243	T	96.1	Very high	96.7	Very high	24 Å²	24	32.5 Å²	32.5	15%	0.147	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-98.1	134.8	162.9	-70.6	0	0	0	0	109.1	A218 K219 I241 D246	A218-T243 HydrophobicContact CB-CG2 4.03Å; K219-T243 VanDerWaalsContact O-CG2 3.23Å; K219-T243 WeakPolarHBondContact O-CG2 3.31Å; K219-T243 PolarHBondContact O-OG1 3.44Å; I241-T243 PolarHBondContact O-N 2.91Å; T243-D246 HydrophobicContact CG2-CB 3.98Å; T243-D246 WeakPolarHBondContact O-CB 3.23Å; T243-D246 PolarHBondContact O-N 2.98Å
244	A	96.1	Very high	96.8	Very high	57 Å²	57	32.8 Å²	32.8	47%	0.471	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	141.3	176.5	0	0	0	0	0	111.5	D246	A244-D246 PolarHBondContact O-N 3.09Å
245	H	98	Very high	96.9	Very high	94 Å²	94	34.6 Å²	34.6	44%	0.435	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	9.8	-173	-53.2	-76.8	0	0	0	115.3	F213 G215 E253 V254	F213-H245 WeakPolarHBondContact CE1-O 3.33Å; F213-H245 WeakPolarHBondContact CZ-O 3.4Å; G215-H245 WeakPolarHBondContact CA-O 3.34Å; H245-E253 IonicContact CE1-OE1 2.72Å; H245-E253 IonicContact CG-OE1 3.4Å; H245-E253 IonicContact ND1-OE1 3.97Å; H245-E253 PolarHBondContact ND1-OE1 3.48Å; H245-V254 PolarHBondContact N-O 3.49Å
246	D	98.2	Very high	97	Very high	4 Å²	4	39 Å²	39	2%	0.021	20%	0.203	C	C	.	.			trans	-83.7	165.1	172.4	-154.7	1.1	0	0	0	111.3	A218 K220 T243 A244 V254	A218-D246 HydrophobicContact CB-CB 3.69Å; K220-D246 IonicContact NZ-OD1 3.16Å; K220-D246 PolarHBondContact NZ-OD1 3.17Å; T243-D246 HydrophobicContact CG2-CB 3.98Å; T243-D246 WeakPolarHBondContact O-CB 3.23Å; T243-D246 PolarHBondContact O-N 2.98Å; A244-D246 PolarHBondContact O-N 3.09Å; D246-V254 PolarHBondContact O-N 3.22Å
247	H	98.3	Very high	97	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	155.5	-179.5	73.2	79.7	0	0	0	113.7	E201 E204 F213 V214 K220 Y250 Y252 F323 R324	E201-H247 IonicContact OE1-CD2 2.67Å; E201-H247 IonicContact OE1-CE1 2.67Å; E201-H247 IonicContact OE1-NE2 2.83Å; E201-H247 PolarHBondContact OE1-NE2 3.33Å; E204-H247 IonicContact OE2-CE1 2.74Å; F213-H247 HydrophobicContact CD1-CB 3.8Å; F213-H247 HydrophobicContact CE1-CB 4.3Å; F213-H247 WeakPolarHBondContact O-CB 3.48Å; V214-H247 PolarHBondContact O-CD2 2.77Å; K220-H247 PolarHBondContact NZ-CD2 3.02Å; H247-Y250 AromaticContact CE1-CD1 3.75Å; H247-Y250 AromaticContact CE1-CD2 3.98Å; H247-Y250 AromaticContact CE1-CE1 3.44Å; H247-Y250 VanDerWaalsContact CE1-CE1 3.44Å; H247-Y250 WeakPolarHBondContact CE1-CE1 3.49Å; H247-Y250 AromaticContact CE1-CE2 3.67Å; H247-Y250 AromaticContact CE1-CZ 3.4Å; H247-Y250 VanDerWaalsContact CE1-CZ 3.4Å; H247-Y250 AromaticContact NE2-CD1 3.8Å; H247-Y250 AromaticContact NE2-CE1 3.33Å; H247-Y250 VanDerWaalsContact NE2-CE1 3.33Å; H247-Y250 WeakPolarHBondContact NE2-CE1 3.3Å; H247-Y250 AromaticContact NE2-CZ 3.66Å; H247-Y252 CarbonylContact C-O 3.23Å; H247-Y252 VanDerWaalsContact CA-O 3.31Å; H247-Y252 WeakPolarHBondContact CA-O 3.35Å; H247-F323 AromaticContact CE1-CE2 3.99Å; H247-F323 AromaticContact CE1-CZ 3.85Å; H247-F323 AromaticContact ND1-CE2 3.95Å; H247-F323 AromaticContact ND1-CZ 3.7Å; H247-R324 PolarHBondContact CE1-NH2 3.39Å
248	V	98.4	Very high	97.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.1	156.1	168	0	0	0	0	108.3	Y250 R251 Y252 V254 L280 M282 F321 F323	V248-Y250 PolarHBondContact O-N 2.79Å; V248-Y250 VanDerWaalsContact O-N 3.09Å; V248-R251 PolarHBondContact O-N 2.88Å; V248-R251 VanDerWaalsContact O-N 3.14Å; V248-Y252 PolarHBondContact N-O 3.18Å; V248-Y252 PolarHBondContact O-N 3.29Å; V248-Y252 VanDerWaalsContact O-N 3.08Å; V248-V254 HydrophobicContact CG2-CG2 3.78Å; V248-L280 HydrophobicContact CB-CD2 3.99Å; V248-L280 HydrophobicContact CG1-CD2 3.97Å; V248-L280 HydrophobicContact CG2-CD2 4.06Å; V248-M282 HydrophobicContact CG2-CE 4.46Å; V248-M282 HydrophobicContact CG2-SD 3.81Å; V248-F321 HydrophobicContact CG1-CE2 3.6Å; V248-F321 HydrophobicContact CG1-CZ 3.8Å; V248-F323 HydrophobicContact CB-CD1 4.15Å; V248-F323 HydrophobicContact CB-CE1 4.15Å; V248-F323 HydrophobicContact CG1-CB 4.21Å; V248-F323 HydrophobicContact CG1-CD1 3.72Å; V248-F323 HydrophobicContact CG1-CE1 4.23Å; V248-F323 HydrophobicContact CG1-CG 4.01Å; V248-F323 HydrophobicContact CG2-CD1 4.05Å; V248-F323 HydrophobicContact CG2-CE1 3.89Å
249	A	98.1	Very high	97	Very high	12 Å²	12	35.2 Å²	35.2	10%	0.099	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	39.2	-179.5	0	0	0	0	0	114.4	Y208 R251 F321 F323	Y208-A249 HydrophobicContact CD1-CB 4.35Å; Y208-A249 HydrophobicContact CE1-CB 3.72Å; A249-R251 PolarHBondContact O-N 2.84Å; A249-F321 HydrophobicContact CB-CD2 3.76Å; A249-F321 HydrophobicContact CB-CE2 3.45Å; A249-F321 VanDerWaalsContact CB-CE2 3.45Å; A249-F321 HydrophobicContact CB-CZ 4.09Å; A249-F323 HydrophobicContact CB-CD2 4.24Å; A249-F323 VanDerWaalsContact N-CD2 3.29Å; A249-F323 VanDerWaalsContact N-CE2 3.33Å
250	Y	98.3	Very high	96.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	23.7	-178.5	-61.6	-88.1	0	0	0	116.1	L197 E201 E204 I205 Y208 V211 Y212 F213 V214 H247 V248	L197-Y250 HydrophobicContact CD2-CE1 4.43Å; E201-Y250 WeakPolarHBondContact CB-OH 3.49Å; E201-Y250 PolarHBondContact O-OH 3.26Å; E204-Y250 HydrophobicContact CG-CE2 4.1Å; E204-Y250 PolarHBondContact OE2-OH 2.94Å; I205-Y250 HydrophobicContact CB-CE1 3.94Å; I205-Y250 HydrophobicContact CB-CE2 4.22Å; I205-Y250 WeakPolarHBondContact CB-OH 3.33Å; I205-Y250 HydrophobicContact CD1-CD1 4.04Å; I205-Y250 HydrophobicContact CD1-CE1 3.67Å; I205-Y250 HydrophobicContact CG1-CD1 4.02Å; I205-Y250 HydrophobicContact CG1-CE1 3.64Å; I205-Y250 HydrophobicContact CG1-CE2 4.3Å; I205-Y250 HydrophobicContact CG1-CG 4.47Å; I205-Y250 PolarHBondContact N-OH 2.74Å; Y208-Y250 HydrophobicContact CD1-CD2 4.15Å; Y208-Y250 AromaticContact CD2-CD2 3.43Å; Y208-Y250 HydrophobicContact CD2-CD2 3.43Å; Y208-Y250 VanDerWaalsContact CD2-CD2 3.43Å; Y208-Y250 AromaticContact CD2-CE2 3.48Å; Y208-Y250 HydrophobicContact CD2-CE2 3.48Å; Y208-Y250 VanDerWaalsContact CD2-CE2 3.48Å; Y208-Y250 HydrophobicContact CE2-CD2 4.08Å; Y208-Y250 AromaticContact CE2-CE2 3.97Å; Y208-Y250 HydrophobicContact CE2-CE2 3.97Å; Y208-Y250 AromaticContact CG-CD2 3.49Å; Y208-Y250 HydrophobicContact CG-CD2 3.49Å; Y208-Y250 VanDerWaalsContact CG-CD2 3.49Å; Y208-Y250 HydrophobicContact CG-CE2 4.05Å; Y208-Y250 HydrophobicContact CG-CG 4.49Å; V211-Y250 HydrophobicContact CG1-CD1 4.33Å; V211-Y250 HydrophobicContact CG2-CD1 4.48Å; V211-Y250 HydrophobicContact CG2-CG 4.39Å; Y212-Y250 PolarHBondContact N-O 2.97Å; F213-Y250 PolarHBondContact N-O 2.97Å; F213-Y250 CarbonylContact O-C 3.51Å; F213-Y250 VanDerWaalsContact O-C 3.23Å; F213-Y250 VanDerWaalsContact O-CA 3.23Å; F213-Y250 WeakPolarHBondContact O-CA 3.48Å; V214-Y250 HydrophobicContact CG1-CD1 4.32Å; H247-Y250 AromaticContact CE1-CD1 3.75Å; H247-Y250 AromaticContact CE1-CD2 3.98Å; H247-Y250 AromaticContact CE1-CE1 3.44Å; H247-Y250 VanDerWaalsContact CE1-CE1 3.44Å; H247-Y250 WeakPolarHBondContact CE1-CE1 3.49Å; H247-Y250 AromaticContact CE1-CE2 3.67Å; H247-Y250 AromaticContact CE1-CZ 3.4Å; H247-Y250 VanDerWaalsContact CE1-CZ 3.4Å; H247-Y250 AromaticContact NE2-CD1 3.8Å; H247-Y250 AromaticContact NE2-CE1 3.33Å; H247-Y250 VanDerWaalsContact NE2-CE1 3.33Å; H247-Y250 WeakPolarHBondContact NE2-CE1 3.3Å; H247-Y250 AromaticContact NE2-CZ 3.66Å; V248-Y250 PolarHBondContact O-N 2.79Å; V248-Y250 VanDerWaalsContact O-N 3.09Å
251	R	98.2	Very high	96.3	Very high	28 Å²	28	44.3 Å²	44.3	11%	0.106	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-38.9	-174.5	175.8	174.2	167.7	-173.3	-6.2	114	Y212 V248 A249 D271 H272 K273 D274 E319	Y212-R251 HydrophobicContact CD2-CB 4.03Å; Y212-R251 HydrophobicContact CD2-CG 4.09Å; V248-R251 PolarHBondContact O-N 2.88Å; V248-R251 VanDerWaalsContact O-N 3.14Å; A249-R251 PolarHBondContact O-N 2.84Å; R251-D271 WeakPolarHBondContact CG-OD1 3.36Å; R251-D271 IonicContact CZ-OD1 3.92Å; R251-D271 IonicContact CZ-OD2 2.77Å; R251-D271 VanDerWaalsContact CZ-OD2 3.24Å; R251-D271 VanDerWaalsContact NE-CG 3.29Å; R251-D271 IonicContact NE-OD1 2.72Å; R251-D271 PolarHBondContact NE-OD1 3.03Å; R251-D271 IonicContact NE-OD2 3.95Å; R251-D271 PolarHBondContact NE-OD2 3.36Å; R251-D271 IonicContact NH2-OD1 3.2Å; R251-D271 IonicContact NH2-OD2 3.48Å; R251-D271 PolarHBondContact NH2-OD2 3.04Å; R251-H272 PolarHBondContact O-N 3.47Å; R251-K273 HydrophobicContact CG-CB 4.21Å; R251-D274 IonicContact CZ-OD2 3.75Å; R251-D274 IonicContact NH2-OD2 2.72Å; R251-D274 PolarHBondContact NH2-OD2 3.02Å; R251-E319 IonicContact CZ-OE1 2.82Å; R251-E319 VanDerWaalsContact CZ-OE1 3.26Å; R251-E319 IonicContact NH1-OE1 3.86Å; R251-E319 PolarHBondContact NH1-OE1 2.98Å; R251-E319 IonicContact NH2-OE1 3.7Å; R251-E319 PolarHBondContact NH2-OE1 3.33Å
252	Y	98.6	Very high	95.8	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122	-172.1	-57.3	-79.4	0	0	0	111.1	H247 V248 Y270 D271 V278 F321 T330	H247-Y252 CarbonylContact C-O 3.23Å; H247-Y252 VanDerWaalsContact CA-O 3.31Å; H247-Y252 WeakPolarHBondContact CA-O 3.35Å; V248-Y252 PolarHBondContact N-O 3.18Å; V248-Y252 PolarHBondContact O-N 3.29Å; V248-Y252 VanDerWaalsContact O-N 3.08Å; Y252-Y270 WeakPolarHBondContact CA-O 3.31Å; Y252-D271 HydrophobicContact CD1-CB 3.94Å; Y252-D271 HydrophobicContact CE1-CB 3.82Å; Y252-D271 WeakPolarHBondContact CE1-OD2 3.26Å; Y252-V278 HydrophobicContact CD1-CG2 3.94Å; Y252-V278 HydrophobicContact CE1-CG2 4.12Å; Y252-F321 HydrophobicContact CD2-CE1 4.15Å; Y252-F321 AromaticContact CD2-CZ 3.77Å; Y252-F321 HydrophobicContact CD2-CZ 3.77Å; Y252-F321 HydrophobicContact CE2-CD1 4.47Å; Y252-F321 AromaticContact CE2-CE1 3.42Å; Y252-F321 HydrophobicContact CE2-CE1 3.42Å; Y252-F321 VanDerWaalsContact CE2-CE1 3.42Å; Y252-F321 AromaticContact CE2-CZ 3.53Å; Y252-F321 HydrophobicContact CE2-CZ 3.53Å; Y252-T330 HydrophobicContact CD1-CG2 4.47Å; Y252-T330 HydrophobicContact CE1-CG2 3.87Å; Y252-T330 HydrophobicContact CE2-CG2 4.29Å
253	E	98.5	Very high	95.5	Very high	30 Å²	30	46.3 Å²	46.3	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	122.4	170.2	-179.8	-177.6	170.4	0	0	110	F213 H245 L255 A269 Y270 H272	F213-E253 HydrophobicContact CD1-CB 3.87Å; F213-E253 HydrophobicContact CD1-CG 4.45Å; F213-E253 HydrophobicContact CE1-CB 3.54Å; F213-E253 HydrophobicContact CE1-CG 3.63Å; F213-E253 HydrophobicContact CE2-CB 4.4Å; F213-E253 HydrophobicContact CE2-CG 4.36Å; F213-E253 HydrophobicContact CG-CB 4.42Å; F213-E253 HydrophobicContact CZ-CB 3.83Å; F213-E253 HydrophobicContact CZ-CG 3.57Å; H245-E253 IonicContact CE1-OE1 2.72Å; H245-E253 IonicContact CG-OE1 3.4Å; H245-E253 IonicContact ND1-OE1 3.97Å; H245-E253 PolarHBondContact ND1-OE1 3.48Å; E253-L255 HydrophobicContact CG-CD2 3.89Å; E253-L255 HydrophobicContact CG-CG 4.49Å; E253-L255 PolarHBondContact O-N 3.5Å; E253-L255 WeakPolarHBondContact OE1-CD2 3.19Å; E253-A269 CarbonylContact O-C 3.43Å; E253-A269 WeakPolarHBondContact O-CA 3.25Å; E253-A269 VanDerWaalsContact O-CB 3.25Å; E253-A269 WeakPolarHBondContact O-CB 3.43Å; E253-Y270 PolarHBondContact N-O 3.31Å; E253-Y270 PolarHBondContact O-N 2.91Å; E253-H272 IonicContact OE2-NE2 3.74Å
254	V	98.3	Very high	95.3	Very high	6 Å²	6	45.3 Å²	45.3	4%	0.036	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	113.3	179.7	177.6	0	0	0	0	110.7	H242 H245 D246 V248 V267	H242-V254 HydrophobicContact CB-CG1 4.32Å; H245-V254 PolarHBondContact N-O 3.49Å; D246-V254 PolarHBondContact O-N 3.22Å; V248-V254 HydrophobicContact CG2-CG2 3.78Å; V254-V267 HydrophobicContact CG1-CB 4.25Å; V254-V267 HydrophobicContact CG1-CG1 4.12Å; V254-V267 HydrophobicContact CG1-CG2 4.19Å
255	L	97.9	Very high	95.3	Very high	46 Å²	46	43.2 Å²	43.2	24%	0.241	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-50.7	-173.3	-61.6	172.8	0	0	0	113.9	E253 K268 Y277	E253-L255 HydrophobicContact CG-CD2 3.89Å; E253-L255 HydrophobicContact CG-CG 4.49Å; E253-L255 PolarHBondContact O-N 3.5Å; E253-L255 WeakPolarHBondContact OE1-CD2 3.19Å; L255-K268 WeakPolarHBondContact CB-O 3.41Å; L255-K268 PolarHBondContact N-O 3.38Å; L255-Y277 HydrophobicContact CD1-CD1 3.91Å; L255-Y277 HydrophobicContact CD1-CE1 3.58Å
256	K	96.7	Very high	95.3	Very high	149 Å²	149	40.1 Å²	40.1	65%	0.648	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-157.8	137.4	-174.5	-180	177.5	175.4	-179.6	0	111.9	L258 V267 K268	K256-L258 PolarHBondContact O-N 3.48Å; K256-V267 CarbonylContact O-C 3.54Å; K256-V267 WeakPolarHBondContact O-CA 3.26Å; K256-K268 PolarHBondContact N-O 3.27Å; K256-K268 PolarHBondContact O-N 2.89Å
257	I	95.7	Very high	95.2	Very high	59 Å²	59	39.9 Å²	39.9	30%	0.303	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	124.7	170.2	-60	163.4	0	0	0	110.1	G259 R260 V267	I257-G259 WeakPolarHBondContact CG2-O 3.26Å; I257-R260 HydrophobicContact CG2-CG 3.92Å; I257-V267 HydrophobicContact CG1-CG1 3.94Å
258	L	94.9	Very high	95.2	Very high	95 Å²	95	42.6 Å²	42.6	50%	0.497	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-34	175.2	-67.9	172	0	0	0	111.7	K256 V266 K268 A279 L333	K256-L258 PolarHBondContact O-N 3.48Å; L258-V266 HydrophobicContact CB-CG1 4.47Å; L258-V266 HydrophobicContact CD1-CG1 4.4Å; L258-V266 PolarHBondContact N-O 2.88Å; L258-K268 HydrophobicContact CD1-CB 3.96Å; L258-K268 HydrophobicContact CD2-CB 4.13Å; L258-K268 HydrophobicContact CG-CB 3.98Å; L258-A279 HydrophobicContact CD1-CB 4.15Å; L258-L333 HydrophobicContact CD1-CD1 3.71Å
259	G	91.6	Very high	95.3	Very high	30 Å²	30	42.6 Å²	42.6	31%	0.309	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	161.6	178.7	0	0	0	0	0	112.7	I257 V266	I257-G259 WeakPolarHBondContact CG2-O 3.26Å; G259-V266 PolarHBondContact N-O 2.84Å; G259-V266 PolarHBondContact O-N 2.84Å
260	R	92	Very high	95.3	Very high	175 Å²	175	44 Å²	44	66%	0.66	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	153.4	173.5	-62.4	-171.8	165.5	-178.4	-5	108.8	I257 Q265	I257-R260 HydrophobicContact CG2-CG 3.92Å; R260-Q265 HydrophobicContact CG-CG 3.97Å
261	G	87.2	Confident	95.3	Very high	32 Å²	32	44.2 Å²	44.2	33%	0.33	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	-173.9	175.7	0	0	0	0	0	112	F263 G264	G261-F263 PolarHBondContact O-N 3.09Å; G261-G264 PolarHBondContact N-O 3.42Å; G261-G264 PolarHBondContact O-N 3.14Å; G261-G264 VanDerWaalsContact O-N 3.15Å; G261-G264 VanDerWaalsContact O-O 3.1Å
262	S	87.2	Confident	95.3	Very high	82 Å²	82	45.1 Å²	45.1	57%	0.573	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.6	175.8	49.5	0	0	0	0	113.1	G264 R284 F289	S262-G264 VanDerWaalsContact C-N 3.28Å; S262-G264 PolarHBondContact O-N 3.08Å; S262-R284 VanDerWaalsContact O-CD 3.26Å; S262-R284 WeakPolarHBondContact O-CD 3.16Å; S262-R284 PolarHBondContact O-NE 3.15Å; S262-F289 VanDerWaalsContact O-CE2 3.29Å; S262-F289 WeakPolarHBondContact O-CE2 3.25Å; S262-F289 WeakPolarHBondContact O-CZ 3.08Å
263	F	87.4	Confident	95.2	Very high	47 Å²	47	49 Å²	49	21%	0.206	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.3	177.7	63.4	-103.3	0	0	0	114.2	G261 V266 K281 V283 R284 F289	G261-F263 PolarHBondContact O-N 3.09Å; F263-V266 HydrophobicContact CE2-CG2 3.81Å; F263-V266 HydrophobicContact CZ-CG2 3.96Å; F263-K281 HydrophobicContact CD2-CD 4.49Å; F263-K281 HydrophobicContact CD2-CG 4.23Å; F263-K281 HydrophobicContact CE2-CD 4.47Å; F263-K281 HydrophobicContact CE2-CG 4.09Å; F263-V283 CarbonylContact O-C 3.58Å; F263-V283 WeakPolarHBondContact O-CA 3.36Å; F263-R284 PolarHBondContact O-N 3.41Å; F263-F289 HydrophobicContact CB-CD1 4.45Å
264	G	92.4	Very high	95.1	Very high	2 Å²	2	51.6 Å²	51.6	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	127.1	-138.8	-169.4	0	0	0	0	0	112.6	G261 S262	G261-G264 PolarHBondContact N-O 3.42Å; G261-G264 PolarHBondContact O-N 3.14Å; G261-G264 VanDerWaalsContact O-N 3.15Å; G261-G264 VanDerWaalsContact O-O 3.1Å; S262-G264 VanDerWaalsContact C-N 3.28Å; S262-G264 PolarHBondContact O-N 3.08Å
265	Q	95	Very high	95	Very high	13 Å²	13	53 Å²	53	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.9	-173.2	-53.9	-167.4	48.7	0	0	111.8	Y240 R260 K281 M282	Y240-Q265 PolarHBondContact O-NE2 2.87Å; R260-Q265 HydrophobicContact CG-CG 3.97Å; Q265-K281 WeakPolarHBondContact O-CA 3.39Å; Q265-M282 PolarHBondContact N-O 2.87Å; Q265-M282 VanDerWaalsContact N-O 3.07Å; Q265-M282 PolarHBondContact O-N 2.7Å
266	V	97.5	Very high	95	Very high	29 Å²	29	54.3 Å²	54.3	18%	0.176	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.3	171.1	-172.2	0	0	0	0	108.7	L258 G259 F263 A279 L280 K281	L258-V266 HydrophobicContact CB-CG1 4.47Å; L258-V266 HydrophobicContact CD1-CG1 4.4Å; L258-V266 PolarHBondContact N-O 2.88Å; G259-V266 PolarHBondContact N-O 2.84Å; G259-V266 PolarHBondContact O-N 2.84Å; F263-V266 HydrophobicContact CE2-CG2 3.81Å; F263-V266 HydrophobicContact CZ-CG2 3.96Å; V266-A279 HydrophobicContact CG1-CB 4.19Å; V266-L280 CarbonylContact C-O 3.55Å; V266-L280 WeakPolarHBondContact CA-O 3.46Å; V266-K281 HydrophobicContact CG2-CB 4.23Å; V266-K281 HydrophobicContact CG2-CG 4.14Å
267	V	98	Very high	95.1	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.8	176.4	-60.3	0	0	0	0	111.4	H242 V254 K256 I257 A269 A279 L280	H242-V267 VanDerWaalsContact CE1-CG1 3.43Å; H242-V267 WeakPolarHBondContact CE1-CG1 3.35Å; V254-V267 HydrophobicContact CG1-CB 4.25Å; V254-V267 HydrophobicContact CG1-CG1 4.12Å; V254-V267 HydrophobicContact CG1-CG2 4.19Å; K256-V267 CarbonylContact O-C 3.54Å; K256-V267 WeakPolarHBondContact O-CA 3.26Å; I257-V267 HydrophobicContact CG1-CG1 3.94Å; V267-A269 PolarHBondContact O-N 3.32Å; V267-A279 WeakPolarHBondContact O-CA 3.29Å; V267-L280 HydrophobicContact CG2-CB 3.85Å; V267-L280 HydrophobicContact CG2-CD2 3.96Å; V267-L280 HydrophobicContact CG2-CG 4.07Å; V267-L280 PolarHBondContact N-O 2.93Å; V267-L280 PolarHBondContact O-N 2.81Å
268	K	98.4	Very high	95.3	Very high	57 Å²	57	50.6 Å²	50.6	25%	0.248	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	122.4	155.8	-179.5	-179.7	176.5	-169.7	0	106.3	L255 K256 L258 Y277 L333	L255-K268 WeakPolarHBondContact CB-O 3.41Å; L255-K268 PolarHBondContact N-O 3.38Å; K256-K268 PolarHBondContact N-O 3.27Å; K256-K268 PolarHBondContact O-N 2.89Å; L258-K268 HydrophobicContact CD1-CB 3.96Å; L258-K268 HydrophobicContact CD2-CB 4.13Å; L258-K268 HydrophobicContact CG-CB 3.98Å; K268-Y277 HydrophobicContact CD-CD1 4.44Å; K268-Y277 VanDerWaalsContact CE-CG 3.45Å; K268-L333 HydrophobicContact CD-CD2 3.92Å; K268-L333 HydrophobicContact CG-CD2 3.95Å
269	A	98.6	Very high	95.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	165.3	170.1	0	0	0	0	0	110.7	E253 V267 Y277 V278 L280	E253-A269 CarbonylContact O-C 3.43Å; E253-A269 WeakPolarHBondContact O-CA 3.25Å; E253-A269 VanDerWaalsContact O-CB 3.25Å; E253-A269 WeakPolarHBondContact O-CB 3.43Å; V267-A269 PolarHBondContact O-N 3.32Å; A269-Y277 WeakPolarHBondContact O-CA 3.43Å; A269-V278 HydrophobicContact CB-CG2 3.99Å; A269-V278 PolarHBondContact N-O 2.94Å; A269-V278 PolarHBondContact O-N 2.99Å; A269-L280 HydrophobicContact CB-CB 4.3Å; A269-L280 HydrophobicContact CB-CD2 4.4Å
270	Y	98.5	Very high	95.8	Very high	43 Å²	43	45.2 Å²	45.2	17%	0.169	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.3	166.7	-178.9	-99.5	0	0	0	109.2	K181 Y252 E253 H272 G275 Y277	K181-Y270 PolarHBondContact NZ-OH 2.94Å; Y252-Y270 WeakPolarHBondContact CA-O 3.31Å; E253-Y270 PolarHBondContact N-O 3.31Å; E253-Y270 PolarHBondContact O-N 2.91Å; Y270-H272 AromaticContact CD1-CD2 3.64Å; Y270-G275 VanDerWaalsContact CE2-C 3.46Å; Y270-G275 WeakPolarHBondContact CE2-O 3.47Å; Y270-G275 WeakPolarHBondContact OH-CA 3.48Å; Y270-G275 PolarHBondContact OH-O 3.14Å; Y270-G275 VanDerWaalsContact OH-O 3.04Å; Y270-Y277 AromaticContact CD2-CD1 3.64Å; Y270-Y277 HydrophobicContact CD2-CD1 3.64Å; Y270-Y277 HydrophobicContact CD2-CD2 4.41Å; Y270-Y277 AromaticContact CD2-CE1 3.63Å; Y270-Y277 HydrophobicContact CD2-CE1 3.63Å; Y270-Y277 HydrophobicContact CD2-CE2 4.37Å; Y270-Y277 HydrophobicContact CD2-CG 4.07Å; Y270-Y277 HydrophobicContact CG-CD1 4.23Å; Y270-Y277 HydrophobicContact CG-CE1 4.16Å
271	D	98.4	Very high	96	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	112.6	178.8	-171	-27.7	0	0	0	109.2	R251 Y252 K273 D274 G275 V276 V278	R251-D271 WeakPolarHBondContact CG-OD1 3.36Å; R251-D271 IonicContact CZ-OD1 3.92Å; R251-D271 IonicContact CZ-OD2 2.77Å; R251-D271 VanDerWaalsContact CZ-OD2 3.24Å; R251-D271 VanDerWaalsContact NE-CG 3.29Å; R251-D271 IonicContact NE-OD1 2.72Å; R251-D271 PolarHBondContact NE-OD1 3.03Å; R251-D271 IonicContact NE-OD2 3.95Å; R251-D271 PolarHBondContact NE-OD2 3.36Å; R251-D271 IonicContact NH2-OD1 3.2Å; R251-D271 IonicContact NH2-OD2 3.48Å; R251-D271 PolarHBondContact NH2-OD2 3.04Å; Y252-D271 HydrophobicContact CD1-CB 3.94Å; Y252-D271 HydrophobicContact CE1-CB 3.82Å; Y252-D271 WeakPolarHBondContact CE1-OD2 3.26Å; D271-K273 VanDerWaalsContact C-N 3.33Å; D271-K273 WeakPolarHBondContact OD1-CB 3.44Å; D271-K273 PolarHBondContact OD1-N 3.16Å; D271-D274 PolarHBondContact OD1-N 3.17Å; D271-G275 VanDerWaalsContact O-CA 3.27Å; D271-G275 WeakPolarHBondContact O-CA 3.45Å; D271-G275 PolarHBondContact O-N 2.72Å; D271-V276 HydrophobicContact CB-CG2 4.34Å; D271-V276 PolarHBondContact N-O 2.78Å; D271-V276 PolarHBondContact O-N 3.23Å; D271-V278 HydrophobicContact CB-CG1 4.41Å
272	H	97.9	Very high	96.6	Very high	47 Å²	47	35.8 Å²	35.8	22%	0.218	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-14.3	-178.6	-77	-104.1	0	0	0	114.4	F213 R251 E253 Y270	F213-H272 HydrophobicContact CB-CB 4.08Å; F213-H272 AromaticContact CD2-CD2 3.85Å; F213-H272 AromaticContact CD2-ND1 3.97Å; F213-H272 AromaticContact CD2-NE2 3.64Å; F213-H272 AromaticContact CE2-NE2 3.79Å; F213-H272 AromaticContact CG-CD2 3.71Å; R251-H272 PolarHBondContact O-N 3.47Å; E253-H272 IonicContact OE2-NE2 3.74Å; Y270-H272 AromaticContact CD1-CD2 3.64Å
273	K	97.2	Very high	97.1	Very high	84 Å²	84	32.1 Å²	32.1	37%	0.365	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-56.8	172.3	174.6	-157.1	170.2	-155.4	0	110	Y212 R251 D271 E319	Y212-K273 HydrophobicContact CD1-CB 3.74Å; Y212-K273 HydrophobicContact CD1-CG 4.3Å; Y212-K273 HydrophobicContact CD2-CB 4.11Å; Y212-K273 HydrophobicContact CE1-CB 3.61Å; Y212-K273 HydrophobicContact CE1-CG 3.65Å; Y212-K273 HydrophobicContact CE2-CB 3.99Å; Y212-K273 HydrophobicContact CE2-CD 4.48Å; Y212-K273 HydrophobicContact CE2-CG 4.24Å; Y212-K273 HydrophobicContact CG-CB 3.99Å; R251-K273 HydrophobicContact CG-CB 4.21Å; D271-K273 VanDerWaalsContact C-N 3.33Å; D271-K273 WeakPolarHBondContact OD1-CB 3.44Å; D271-K273 PolarHBondContact OD1-N 3.16Å; K273-E319 IonicContact NZ-OE1 3.71Å; K273-E319 PolarHBondContact NZ-OE1 3.01Å
274	D	96.4	Very high	97.5	Very high	84 Å²	84	31.9 Å²	31.9	45%	0.449	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-7.9	-171.2	-59.9	-29.2	0	0	0	112.9	R251 D271 V276	R251-D274 IonicContact CZ-OD2 3.75Å; R251-D274 IonicContact NH2-OD2 2.72Å; R251-D274 PolarHBondContact NH2-OD2 3.02Å; D271-D274 PolarHBondContact OD1-N 3.17Å; D274-V276 HydrophobicContact CB-CG2 4.07Å; D274-V276 PolarHBondContact O-N 3.38Å
275	G	97.1	Very high	97.7	Very high	35 Å²	35	34.8 Å²	34.8	36%	0.361	18%	0.176	S	C	.	.			trans	77.2	14.2	172.5	0	0	0	0	0	115.5	Y270 D271	Y270-G275 VanDerWaalsContact CE2-C 3.46Å; Y270-G275 WeakPolarHBondContact CE2-O 3.47Å; Y270-G275 WeakPolarHBondContact OH-CA 3.48Å; Y270-G275 PolarHBondContact OH-O 3.14Å; Y270-G275 VanDerWaalsContact OH-O 3.04Å; D271-G275 VanDerWaalsContact O-CA 3.27Å; D271-G275 WeakPolarHBondContact O-CA 3.45Å; D271-G275 PolarHBondContact O-N 2.72Å
276	V	97.7	Very high	97.6	Very high	74 Å²	74	37.5 Å²	37.5	45%	0.448	19%	0.189	S	C	.	.			trans	-118.2	158	-169.6	-67.4	0	0	0	0	113.3	D271 D274 V278	D271-V276 HydrophobicContact CB-CG2 4.34Å; D271-V276 PolarHBondContact N-O 2.78Å; D271-V276 PolarHBondContact O-N 3.23Å; D274-V276 HydrophobicContact CB-CG2 4.07Å; D274-V276 PolarHBondContact O-N 3.38Å; V276-V278 HydrophobicContact CG2-CG1 4.23Å
277	Y	98.3	Very high	97.4	Very high	123 Å²	123	46.1 Å²	46.1	48%	0.482	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.8	169.6	-64.9	-73.2	0	0	0	111.2	L255 K268 A269 Y270 L333	L255-Y277 HydrophobicContact CD1-CD1 3.91Å; L255-Y277 HydrophobicContact CD1-CE1 3.58Å; K268-Y277 HydrophobicContact CD-CD1 4.44Å; K268-Y277 VanDerWaalsContact CE-CG 3.45Å; A269-Y277 WeakPolarHBondContact O-CA 3.43Å; Y270-Y277 AromaticContact CD2-CD1 3.64Å; Y270-Y277 HydrophobicContact CD2-CD1 3.64Å; Y270-Y277 HydrophobicContact CD2-CD2 4.41Å; Y270-Y277 AromaticContact CD2-CE1 3.63Å; Y270-Y277 HydrophobicContact CD2-CE1 3.63Å; Y270-Y277 HydrophobicContact CD2-CE2 4.37Å; Y270-Y277 HydrophobicContact CD2-CG 4.07Å; Y270-Y277 HydrophobicContact CG-CD1 4.23Å; Y270-Y277 HydrophobicContact CG-CE1 4.16Å; Y277-L333 WeakPolarHBondContact O-CB 3.13Å
278	V	98.6	Very high	97.2	Very high	7 Å²	7	51 Å²	51	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	160.8	-179.1	-60.9	0	0	0	0	111.4	Y252 A269 D271 V276 T330	Y252-V278 HydrophobicContact CD1-CG2 3.94Å; Y252-V278 HydrophobicContact CE1-CG2 4.12Å; A269-V278 HydrophobicContact CB-CG2 3.99Å; A269-V278 PolarHBondContact N-O 2.94Å; A269-V278 PolarHBondContact O-N 2.99Å; D271-V278 HydrophobicContact CB-CG1 4.41Å; V276-V278 HydrophobicContact CG2-CG1 4.23Å; V278-T330 HydrophobicContact CG2-CG2 4.48Å
279	A	98.6	Very high	97	Very high	12 Å²	12	49.3 Å²	49.3	10%	0.099	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.9	161.6	0	0	0	0	0	108.9	L258 V266 V267 T330 F331 L333	L258-A279 HydrophobicContact CD1-CB 4.15Å; V266-A279 HydrophobicContact CG1-CB 4.19Å; V267-A279 WeakPolarHBondContact O-CA 3.29Å; A279-T330 CarbonylContact O-C 3.57Å; A279-T330 WeakPolarHBondContact O-CA 3.41Å; A279-F331 HydrophobicContact CB-CB 4.38Å; A279-F331 PolarHBondContact N-O 3.29Å; A279-F331 PolarHBondContact O-N 2.98Å; A279-L333 HydrophobicContact CB-CD1 4.17Å
280	L	98.5	Very high	96.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	112.6	-179	166	64.1	0	0	0	109.1	V248 V266 V267 A269 M282 F321 C328 T330	V248-L280 HydrophobicContact CB-CD2 3.99Å; V248-L280 HydrophobicContact CG1-CD2 3.97Å; V248-L280 HydrophobicContact CG2-CD2 4.06Å; V266-L280 CarbonylContact C-O 3.55Å; V266-L280 WeakPolarHBondContact CA-O 3.46Å; V267-L280 HydrophobicContact CG2-CB 3.85Å; V267-L280 HydrophobicContact CG2-CD2 3.96Å; V267-L280 HydrophobicContact CG2-CG 4.07Å; V267-L280 PolarHBondContact N-O 2.93Å; V267-L280 PolarHBondContact O-N 2.81Å; A269-L280 HydrophobicContact CB-CB 4.3Å; A269-L280 HydrophobicContact CB-CD2 4.4Å; L280-M282 HydrophobicContact CD1-CG 4.39Å; L280-M282 HydrophobicContact CD2-CG 4.48Å; L280-M282 HydrophobicContact CG-CG 4.18Å; L280-F321 HydrophobicContact CD1-CZ 4.19Å; L280-C328 HydrophobicContact CD1-CB 4Å; L280-T330 HydrophobicContact CB-CG2 4.37Å; L280-T330 HydrophobicContact CD1-CG2 3.78Å
281	K	98.1	Very high	96.6	Very high	7 Å²	7	54 Å²	54	3%	0.03	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	114.8	172.6	-172	178.1	-163.4	-179.7	0	107.9	F263 Q265 V266 V283 E296 C328 I329 F331 D398	F263-K281 HydrophobicContact CD2-CD 4.49Å; F263-K281 HydrophobicContact CD2-CG 4.23Å; F263-K281 HydrophobicContact CE2-CD 4.47Å; F263-K281 HydrophobicContact CE2-CG 4.09Å; Q265-K281 WeakPolarHBondContact O-CA 3.39Å; V266-K281 HydrophobicContact CG2-CB 4.23Å; V266-K281 HydrophobicContact CG2-CG 4.14Å; K281-V283 HydrophobicContact CG-CG2 4.41Å; K281-E296 IonicContact NZ-OE1 2.71Å; K281-E296 PolarHBondContact NZ-OE1 2.91Å; K281-E296 IonicContact NZ-OE2 2.75Å; K281-E296 PolarHBondContact NZ-OE2 2.9Å; K281-C328 WeakPolarHBondContact O-CA 3.36Å; K281-I329 HydrophobicContact CB-CB 4.43Å; K281-I329 PolarHBondContact N-O 2.94Å; K281-I329 PolarHBondContact O-N 3.13Å; K281-F331 HydrophobicContact CB-CD2 4.49Å; K281-F331 HydrophobicContact CB-CE2 3.86Å; K281-F331 HydrophobicContact CD-CE2 4.15Å; K281-F331 HydrophobicContact CD-CZ 4.5Å; K281-D398 IonicContact NZ-OD1 2.95Å; K281-D398 PolarHBondContact NZ-OD1 3Å
282	M	98	Very high	96.3	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.015	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.2	169.1	-69.1	-170	68.7	0	0	108.3	Y240 H242 V248 Q265 L280 F323 H326	Y240-M282 HydrophobicContact CD1-CE 3.63Å; Y240-M282 HydrophobicContact CD1-SD 3.81Å; Y240-M282 HydrophobicContact CD2-CE 3.93Å; Y240-M282 HydrophobicContact CE1-CE 4.14Å; Y240-M282 HydrophobicContact CE1-SD 4.36Å; Y240-M282 HydrophobicContact CE2-CE 4.39Å; Y240-M282 HydrophobicContact CG-CE 3.51Å; Y240-M282 HydrophobicContact CG-SD 4.22Å; H242-M282 PolarHBondContact CE1-SD 2.92Å; V248-M282 HydrophobicContact CG2-CE 4.46Å; V248-M282 HydrophobicContact CG2-SD 3.81Å; Q265-M282 PolarHBondContact N-O 2.87Å; Q265-M282 VanDerWaalsContact N-O 3.07Å; Q265-M282 PolarHBondContact O-N 2.7Å; L280-M282 HydrophobicContact CD1-CG 4.39Å; L280-M282 HydrophobicContact CD2-CG 4.48Å; L280-M282 HydrophobicContact CG-CG 4.18Å; M282-F323 HydrophobicContact CE-CD1 4.16Å; M282-H326 HydrophobicContact CE-CB 3.97Å
283	V	97.7	Very high	96.3	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.024	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	142.5	-174.9	-179.4	0	0	0	0	109.6	F263 K281 F289 A293 H326 V327	F263-V283 CarbonylContact O-C 3.58Å; F263-V283 WeakPolarHBondContact O-CA 3.36Å; K281-V283 HydrophobicContact CG-CG2 4.41Å; V283-F289 HydrophobicContact CG1-CB 3.7Å; V283-A293 HydrophobicContact CB-CB 4.4Å; V283-A293 HydrophobicContact CG1-CB 4.08Å; V283-A293 HydrophobicContact CG2-CB 3.82Å; V283-H326 PolarHBondContact O-ND1 3.29Å; V283-V327 HydrophobicContact CB-CB 4.19Å; V283-V327 WeakPolarHBondContact CB-O 3.42Å; V283-V327 HydrophobicContact CG2-CB 4.36Å; V283-V327 WeakPolarHBondContact CG2-O 3.33Å; V283-V327 PolarHBondContact N-O 2.97Å
284	R	96.7	Very high	96.2	Very high	42 Å²	42	53.4 Å²	53.4	16%	0.158	26%	0.264	C	S	.	.			trans	-54.6	145.5	176.5	-77.4	-172.6	176.8	-167.8	-1.7	113.1	Q237 G238 S239 S262 F263 E286 F289	Q237-R284 VanDerWaalsContact O-CD 3.26Å; Q237-R284 WeakPolarHBondContact O-CD 3.36Å; Q237-R284 PolarHBondContact O-NE 2.91Å; Q237-R284 PolarHBondContact O-NH1 2.88Å; G238-R284 CarbonylContact O-C 3.57Å; G238-R284 VanDerWaalsContact O-CA 3.25Å; G238-R284 WeakPolarHBondContact O-CA 3.5Å; S239-R284 PolarHBondContact OG-NE 3.07Å; S262-R284 VanDerWaalsContact O-CD 3.26Å; S262-R284 WeakPolarHBondContact O-CD 3.16Å; S262-R284 PolarHBondContact O-NE 3.15Å; F263-R284 PolarHBondContact O-N 3.41Å; R284-E286 HydrophobicContact CB-CG 4.36Å; R284-E286 VanDerWaalsContact CD-OE1 3.26Å; R284-E286 WeakPolarHBondContact CD-OE1 3.34Å; R284-E286 IonicContact NH1-OE1 3.42Å; R284-E286 PolarHBondContact NH1-OE1 2.78Å; R284-E286 PolarHBondContact O-N 2.95Å; R284-F289 HydrophobicContact CB-CB 4.28Å; R284-F289 HydrophobicContact CB-CD2 3.8Å; R284-F289 HydrophobicContact CB-CG 4.32Å; R284-F289 HydrophobicContact CG-CD2 4.43Å
285	N	95.9	Very high	96.1	Very high	63 Å²	63	51.5 Å²	51.5	34%	0.337	25%	0.252	S	S	.	.	S	Bend	trans	-75.9	51.5	175	-163.3	4.7	0	0	0	111.4	N230 D234 G238	N230-N285 PolarHBondContact ND2-ND2 2.94Å; D234-N285 WeakPolarHBondContact OD2-CB 3.34Å; D234-N285 PolarHBondContact OD2-ND2 3.26Å; G238-N285 PolarHBondContact O-N 2.94Å
286	E	94.7	Very high	96.1	Very high	71 Å²	71	50 Å²	50	33%	0.332	24%	0.236	S	C	.	.	S	Bend	trans	-128.2	129.5	174.9	-56.5	175.8	-134.4	0	0	108.8	R284 R288 F289 T290	R284-E286 HydrophobicContact CB-CG 4.36Å; R284-E286 VanDerWaalsContact CD-OE1 3.26Å; R284-E286 WeakPolarHBondContact CD-OE1 3.34Å; R284-E286 IonicContact NH1-OE1 3.42Å; R284-E286 PolarHBondContact NH1-OE1 2.78Å; R284-E286 PolarHBondContact O-N 2.95Å; E286-R288 PolarHBondContact O-N 2.97Å; E286-F289 HydrophobicContact CB-CD2 3.94Å; E286-F289 HydrophobicContact CG-CD2 4.18Å; E286-F289 PolarHBondContact O-N 2.93Å; E286-F289 WeakPolarHBondContact OE1-CE2 3.49Å; E286-F289 WeakPolarHBondContact OE2-CE2 3.33Å; E286-T290 PolarHBondContact O-N 2.89Å; E286-T290 PolarHBondContact O-OG1 2.87Å; E286-T290 VanDerWaalsContact O-OG1 3.09Å
287	R	93.1	Very high	96.1	Very high	210 Å²	210	47.1 Å²	47.1	79%	0.792	22%	0.218	S	C	*	.	H	α-helix	trans	-48.1	-32.2	-178.4	-172.7	178.7	-177.4	-172.5	2.5	114.3	N291	R287-N291 WeakPolarHBondContact O-CB 3.44Å; R287-N291 PolarHBondContact O-N 3.18Å; R287-N291 PolarHBondContact O-OD1 2.88Å
288	R	92.3	Very high	96.1	Very high	103 Å²	103	46.2 Å²	46.2	39%	0.389	21%	0.214	S	C	.	.	H	α-helix	trans	-65	-47.4	175.8	-176.4	-177.3	178.4	-165.3	-0.9	112.2	E286 Q292 M712	E286-R288 PolarHBondContact O-N 2.97Å; R288-Q292 WeakPolarHBondContact O-CG 3.34Å; R288-Q292 PolarHBondContact O-N 2.97Å; R288-Q292 VanDerWaalsContact O-N 3.17Å; R288-M712 PolarHBondContact NH1-SD 3.41Å
289	F	93.8	Very high	96.1	Very high	20 Å²	20	45.9 Å²	45.9	9%	0.088	21%	0.211	C	C	.	.	H	α-helix	trans	-75.1	-34.5	179.7	-65.6	-59.6	0	0	0	111.3	S262 F263 V283 R284 E286 N291 Q292 A293	S262-F289 VanDerWaalsContact O-CE2 3.29Å; S262-F289 WeakPolarHBondContact O-CE2 3.25Å; S262-F289 WeakPolarHBondContact O-CZ 3.08Å; F263-F289 HydrophobicContact CB-CD1 4.45Å; V283-F289 HydrophobicContact CG1-CB 3.7Å; R284-F289 HydrophobicContact CB-CB 4.28Å; R284-F289 HydrophobicContact CB-CD2 3.8Å; R284-F289 HydrophobicContact CB-CG 4.32Å; R284-F289 HydrophobicContact CG-CD2 4.43Å; E286-F289 HydrophobicContact CB-CD2 3.94Å; E286-F289 HydrophobicContact CG-CD2 4.18Å; E286-F289 PolarHBondContact O-N 2.93Å; E286-F289 WeakPolarHBondContact OE1-CE2 3.49Å; E286-F289 WeakPolarHBondContact OE2-CE2 3.33Å; F289-N291 PolarHBondContact O-N 3.5Å; F289-Q292 VanDerWaalsContact CD1-OE1 3.3Å; F289-Q292 PolarHBondContact O-N 2.84Å; F289-A293 WeakPolarHBondContact O-CB 3.39Å; F289-A293 PolarHBondContact O-N 3.31Å
290	T	95.2	Very high	96.1	Very high	44 Å²	44	45.4 Å²	45.4	27%	0.27	21%	0.207	S	C	.	.	H	α-helix	trans	-52.7	-52.8	167.8	-45.3	0	0	0	0	111.3	E286 Q292 A293 T294 V327	E286-T290 PolarHBondContact O-N 2.89Å; E286-T290 PolarHBondContact O-OG1 2.87Å; E286-T290 VanDerWaalsContact O-OG1 3.09Å; T290-Q292 VanDerWaalsContact C-N 3.33Å; T290-Q292 PolarHBondContact O-N 3.48Å; T290-A293 WeakPolarHBondContact O-CB 3.27Å; T290-A293 PolarHBondContact O-N 3Å; T290-A293 VanDerWaalsContact O-N 3.14Å; T290-T294 PolarHBondContact O-N 3.46Å; T290-T294 PolarHBondContact O-OG1 2.99Å; T290-V327 HydrophobicContact CG2-CG2 3.92Å
291	N	93.6	Very high	96	Very high	99 Å²	99	48.6 Å²	48.6	53%	0.529	22%	0.222	S	C	.	.	H	α-helix	trans	-62	-38	179.6	-70.9	0.5	0	0	0	112.7	R287 F289 E295	R287-N291 WeakPolarHBondContact O-CB 3.44Å; R287-N291 PolarHBondContact O-N 3.18Å; R287-N291 PolarHBondContact O-OD1 2.88Å; F289-N291 PolarHBondContact O-N 3.5Å; N291-E295 PolarHBondContact O-N 3.23Å
292	Q	93.6	Very high	95.9	Very high	33 Å²	33	52 Å²	52	15%	0.154	24%	0.239	C	C	.	.	H	α-helix	trans	-65.8	-39.1	174.9	-75.1	-175.4	-68.5	0	0	112	R288 F289 T290 E295 E296 G400	R288-Q292 WeakPolarHBondContact O-CG 3.34Å; R288-Q292 PolarHBondContact O-N 2.97Å; R288-Q292 VanDerWaalsContact O-N 3.17Å; F289-Q292 VanDerWaalsContact CD1-OE1 3.3Å; F289-Q292 PolarHBondContact O-N 2.84Å; T290-Q292 VanDerWaalsContact C-N 3.33Å; T290-Q292 PolarHBondContact O-N 3.48Å; Q292-E295 PolarHBondContact O-N 2.86Å; Q292-E296 WeakPolarHBondContact O-CB 3.39Å; Q292-E296 PolarHBondContact O-N 3.04Å; Q292-G400 PolarHBondContact NE2-O 3.05Å; Q292-G400 VanDerWaalsContact NE2-O 3.08Å
293	A	96.6	Very high	95.9	Very high	2 Å²	2	52 Å²	52	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-66.5	-38.6	176.8	0	0	0	0	0	112.5	V283 F289 T290 E295 E296 I297 V327 I329	V283-A293 HydrophobicContact CB-CB 4.4Å; V283-A293 HydrophobicContact CG1-CB 4.08Å; V283-A293 HydrophobicContact CG2-CB 3.82Å; F289-A293 WeakPolarHBondContact O-CB 3.39Å; F289-A293 PolarHBondContact O-N 3.31Å; T290-A293 WeakPolarHBondContact O-CB 3.27Å; T290-A293 PolarHBondContact O-N 3Å; T290-A293 VanDerWaalsContact O-N 3.14Å; A293-E295 VanDerWaalsContact C-N 3.34Å; A293-E295 PolarHBondContact O-N 3.25Å; A293-E296 PolarHBondContact O-N 3Å; A293-I297 WeakPolarHBondContact O-CB 3.48Å; A293-I297 WeakPolarHBondContact O-CD1 3.13Å; A293-I297 VanDerWaalsContact O-CG1 3.22Å; A293-I297 WeakPolarHBondContact O-CG1 3.47Å; A293-I297 PolarHBondContact O-N 2.75Å; A293-V327 HydrophobicContact CB-CB 4.24Å; A293-V327 HydrophobicContact CB-CG1 3.88Å; A293-I329 HydrophobicContact CB-CD1 4.32Å
294	T	95.9	Very high	95.9	Very high	85 Å²	85	56.1 Å²	56.1	52%	0.521	26%	0.256	S	S	.	.	H	α-helix	trans	-60.1	-42.9	173.8	-52.2	0	0	0	0	111.9	T290 R298	T290-T294 PolarHBondContact O-N 3.46Å; T290-T294 PolarHBondContact O-OG1 2.99Å; T294-R298 WeakPolarHBondContact O-CB 3.34Å; T294-R298 PolarHBondContact O-N 3.37Å; T294-R298 VanDerWaalsContact O-N 3.08Å
295	E	94.7	Very high	95.9	Very high	44 Å²	44	60.8 Å²	60.8	21%	0.206	28%	0.277	C	S	.	.	H	α-helix	trans	-70.3	-38.6	176.7	-177.6	66.2	175.5	0	0	112.1	N291 Q292 A293 R298 I299 Y404	N291-E295 PolarHBondContact O-N 3.23Å; Q292-E295 PolarHBondContact O-N 2.86Å; A293-E295 VanDerWaalsContact C-N 3.34Å; A293-E295 PolarHBondContact O-N 3.25Å; E295-R298 PolarHBondContact O-N 3.36Å; E295-R298 IonicContact OE1-CZ 2.69Å; E295-R298 IonicContact OE1-NH2 3.85Å; E295-R298 PolarHBondContact OE1-NH2 3.23Å; E295-R298 IonicContact OE2-CZ 3.32Å; E295-R298 IonicContact OE2-NE 3.18Å; E295-R298 PolarHBondContact OE2-NE 3.11Å; E295-R298 IonicContact OE2-NH2 3.13Å; E295-R298 PolarHBondContact OE2-NH2 3.08Å; E295-I299 HydrophobicContact CG-CD1 3.97Å; E295-I299 WeakPolarHBondContact O-CB 3.43Å; E295-I299 WeakPolarHBondContact O-CG1 3.5Å; E295-I299 PolarHBondContact O-N 3.28Å; E295-Y404 WeakPolarHBondContact OE1-CD2 3.22Å
296	E	97.3	Very high	95.9	Very high	3 Å²	3	61.2 Å²	61.2	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-48.3	173.6	175.6	165.7	-149.5	0	0	111.8	K281 Q292 A293 I299 L300 I329 F399 G400	K281-E296 IonicContact NZ-OE1 2.71Å; K281-E296 PolarHBondContact NZ-OE1 2.91Å; K281-E296 IonicContact NZ-OE2 2.75Å; K281-E296 PolarHBondContact NZ-OE2 2.9Å; Q292-E296 WeakPolarHBondContact O-CB 3.39Å; Q292-E296 PolarHBondContact O-N 3.04Å; A293-E296 PolarHBondContact O-N 3Å; E296-I299 PolarHBondContact O-N 2.68Å; E296-L300 HydrophobicContact CG-CD1 3.63Å; E296-L300 HydrophobicContact CG-CG 4.43Å; E296-L300 WeakPolarHBondContact O-CB 3.5Å; E296-L300 WeakPolarHBondContact O-CD1 3.42Å; E296-L300 WeakPolarHBondContact O-CG 3.5Å; E296-L300 PolarHBondContact O-N 3.47Å; E296-I329 HydrophobicContact CG-CD1 4.47Å; E296-F399 HydrophobicContact CG-CB 4.01Å; E296-F399 PolarHBondContact OE1-N 2.9Å; E296-G400 VanDerWaalsContact CD-N 3.25Å; E296-G400 PolarHBondContact OE1-N 3.47Å; E296-G400 WeakPolarHBondContact OE2-CA 3.48Å
297	I	98.1	Very high	96	Very high	15 Å²	15	58 Å²	58	8%	0.077	26%	0.262	C	S	.	.	H	α-helix	trans	-57.6	-51.4	174.9	-68.3	161.4	0	0	0	110	A293 I299 L300 E301 I317 H320 V327 I329	A293-I297 WeakPolarHBondContact O-CB 3.48Å; A293-I297 WeakPolarHBondContact O-CD1 3.13Å; A293-I297 VanDerWaalsContact O-CG1 3.22Å; A293-I297 WeakPolarHBondContact O-CG1 3.47Å; A293-I297 PolarHBondContact O-N 2.75Å; I297-I299 VanDerWaalsContact C-N 3.32Å; I297-I299 PolarHBondContact O-N 2.91Å; I297-L300 PolarHBondContact O-N 3.08Å; I297-E301 HydrophobicContact CG2-CG 4.37Å; I297-E301 WeakPolarHBondContact O-CG 3.4Å; I297-E301 PolarHBondContact O-N 2.9Å; I297-I317 HydrophobicContact CB-CD1 4.43Å; I297-I317 HydrophobicContact CG1-CD1 4.15Å; I297-I317 HydrophobicContact CG2-CD1 4.17Å; I297-H320 HydrophobicContact CD1-CB 3.89Å; I297-H320 HydrophobicContact CG1-CB 4.21Å; I297-H320 WeakPolarHBondContact CG2-ND1 3.4Å; I297-V327 HydrophobicContact CD1-CG1 4.07Å; I297-I329 HydrophobicContact CD1-CD1 4.03Å; I297-I329 HydrophobicContact CD1-CG1 4.02Å; I297-I329 HydrophobicContact CG1-CD1 3.66Å; I297-I329 HydrophobicContact CG1-CG1 3.95Å
298	R	97.5	Very high	96.1	Very high	103 Å²	103	54.4 Å²	54.4	39%	0.389	26%	0.264	S	S	.	.	H	α-helix	trans	-58.9	-41.3	-178.6	-170.9	-179.3	72.8	92.8	-11.4	112.5	T294 E295 Q302 Y404	T294-R298 WeakPolarHBondContact O-CB 3.34Å; T294-R298 PolarHBondContact O-N 3.37Å; T294-R298 VanDerWaalsContact O-N 3.08Å; E295-R298 PolarHBondContact O-N 3.36Å; E295-R298 IonicContact OE1-CZ 2.69Å; E295-R298 IonicContact OE1-NH2 3.85Å; E295-R298 PolarHBondContact OE1-NH2 3.23Å; E295-R298 IonicContact OE2-CZ 3.32Å; E295-R298 IonicContact OE2-NE 3.18Å; E295-R298 PolarHBondContact OE2-NE 3.11Å; E295-R298 IonicContact OE2-NH2 3.13Å; E295-R298 PolarHBondContact OE2-NH2 3.08Å; R298-Q302 WeakPolarHBondContact O-CB 3.35Å; R298-Q302 PolarHBondContact O-N 3.33Å; R298-Y404 VanDerWaalsContact CZ-CE2 3.48Å
299	I	97.9	Very high	96.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.8	-49.7	175.3	-77.4	172.7	0	0	0	110.7	E295 E296 I297 E301 Q302 L303 I374 F399 Y404	E295-I299 HydrophobicContact CG-CD1 3.97Å; E295-I299 WeakPolarHBondContact O-CB 3.43Å; E295-I299 WeakPolarHBondContact O-CG1 3.5Å; E295-I299 PolarHBondContact O-N 3.28Å; E296-I299 PolarHBondContact O-N 2.68Å; I297-I299 VanDerWaalsContact C-N 3.32Å; I297-I299 PolarHBondContact O-N 2.91Å; I299-E301 PolarHBondContact O-N 2.82Å; I299-Q302 PolarHBondContact O-N 2.95Å; I299-L303 HydrophobicContact CG2-CD1 3.79Å; I299-L303 HydrophobicContact CG2-CG 4.49Å; I299-L303 VanDerWaalsContact O-CG 3.29Å; I299-L303 WeakPolarHBondContact O-CG 3.48Å; I299-L303 PolarHBondContact O-N 3.19Å; I299-I374 HydrophobicContact CD1-CG2 4.39Å; I299-I374 HydrophobicContact CG2-CD1 4.18Å; I299-I374 HydrophobicContact CG2-CG2 4.25Å; I299-F399 HydrophobicContact CG2-CB 4.45Å; I299-F399 HydrophobicContact CG2-CD1 3.78Å; I299-F399 HydrophobicContact CG2-CE1 4.47Å; I299-F399 HydrophobicContact CG2-CG 4.42Å; I299-Y404 HydrophobicContact CD1-CD2 4.49Å; I299-Y404 HydrophobicContact CD1-CE2 4.22Å; I299-Y404 HydrophobicContact CG1-CD2 4.37Å; I299-Y404 HydrophobicContact CG1-CE2 3.63Å
300	L	98.1	Very high	96.2	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-65.6	-38.4	-176.4	-72.7	166.5	0	0	0	112.8	E296 I297 L303 K304 V314 V315 I317 F331 F399	E296-L300 HydrophobicContact CG-CD1 3.63Å; E296-L300 HydrophobicContact CG-CG 4.43Å; E296-L300 WeakPolarHBondContact O-CB 3.5Å; E296-L300 WeakPolarHBondContact O-CD1 3.42Å; E296-L300 WeakPolarHBondContact O-CG 3.5Å; E296-L300 PolarHBondContact O-N 3.47Å; I297-L300 PolarHBondContact O-N 3.08Å; L300-L303 PolarHBondContact O-N 2.9Å; L300-K304 VanDerWaalsContact O-CB 3.27Å; L300-K304 WeakPolarHBondContact O-CB 3.4Å; L300-K304 PolarHBondContact O-N 2.82Å; L300-V314 HydrophobicContact CD2-CG1 4.1Å; L300-V315 HydrophobicContact CD2-CG1 4Å; L300-I317 HydrophobicContact CB-CB 4.26Å; L300-I317 HydrophobicContact CB-CG2 3.93Å; L300-I317 HydrophobicContact CD1-CB 4.5Å; L300-F331 HydrophobicContact CD1-CE1 3.65Å; L300-F331 HydrophobicContact CD1-CZ 4.09Å; L300-F399 HydrophobicContact CD2-CB 4.39Å; L300-F399 HydrophobicContact CD2-CD2 3.71Å; L300-F399 HydrophobicContact CD2-CE2 4.17Å; L300-F399 HydrophobicContact CD2-CG 4.05Å; L300-F399 HydrophobicContact CG-CB 4.34Å; L300-F399 HydrophobicContact CG-CG 4.49Å
301	E	97.6	Very high	96.3	Very high	68 Å²	68	57.1 Å²	57.1	32%	0.318	29%	0.287	S	S	.	.	H	α-helix	trans	-66.6	-40.6	174.7	-71.8	-173.7	172.4	0	0	112.4	I297 I299 L303 K304 K305 I317 H320	I297-E301 HydrophobicContact CG2-CG 4.37Å; I297-E301 WeakPolarHBondContact O-CG 3.4Å; I297-E301 PolarHBondContact O-N 2.9Å; I299-E301 PolarHBondContact O-N 2.82Å; E301-L303 VanDerWaalsContact C-N 3.29Å; E301-L303 PolarHBondContact O-N 2.75Å; E301-K304 PolarHBondContact O-N 2.85Å; E301-K305 WeakPolarHBondContact O-CD 3.45Å; E301-K305 VanDerWaalsContact O-CG 3.29Å; E301-K305 WeakPolarHBondContact O-CG 3.38Å; E301-K305 PolarHBondContact O-N 3.15Å; E301-I317 HydrophobicContact CG-CG2 4.37Å; E301-H320 IonicContact OE1-CE1 3.84Å; E301-H320 PolarHBondContact OE1-CE1 2.82Å; E301-H320 IonicContact OE1-ND1 3.47Å; E301-H320 PolarHBondContact OE1-ND1 2.83Å
302	Q	96.8	Very high	96.5	Very high	79 Å²	79	56.4 Å²	56.4	37%	0.369	28%	0.277	S	S	.	.	H	α-helix	trans	-64.3	-34.8	176.1	-176.4	64.3	4.7	0	0	112.1	R298 I299 Q306	R298-Q302 WeakPolarHBondContact O-CB 3.35Å; R298-Q302 PolarHBondContact O-N 3.33Å; I299-Q302 PolarHBondContact O-N 2.95Å; Q302-Q306 PolarHBondContact O-NE2 3.04Å
303	L	97.7	Very high	96.7	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-75.6	-43.7	174.3	-66.2	171.4	0	0	0	111.9	I299 L300 E301 K305 Q306 D307 V314 M368 L369 N372 I374 F399	I299-L303 HydrophobicContact CG2-CD1 3.79Å; I299-L303 HydrophobicContact CG2-CG 4.49Å; I299-L303 VanDerWaalsContact O-CG 3.29Å; I299-L303 WeakPolarHBondContact O-CG 3.48Å; I299-L303 PolarHBondContact O-N 3.19Å; L300-L303 PolarHBondContact O-N 2.9Å; E301-L303 VanDerWaalsContact C-N 3.29Å; E301-L303 PolarHBondContact O-N 2.75Å; L303-K305 PolarHBondContact O-N 2.84Å; L303-Q306 CarbonylContact O-C 3.58Å; L303-Q306 WeakPolarHBondContact O-CA 3.44Å; L303-Q306 WeakPolarHBondContact O-CB 3.21Å; L303-Q306 PolarHBondContact O-N 2.99Å; L303-D307 PolarHBondContact O-N 2.81Å; L303-V314 HydrophobicContact CB-CG1 4.44Å; L303-V314 HydrophobicContact CD1-CG1 4.11Å; L303-M368 HydrophobicContact CB-CE 3.86Å; L303-M368 HydrophobicContact CB-SD 4.48Å; L303-M368 HydrophobicContact CD2-CE 3.73Å; L303-M368 HydrophobicContact CD2-CG 4.11Å; L303-M368 HydrophobicContact CD2-SD 3.82Å; L303-M368 HydrophobicContact CG-CE 4.41Å; L303-M368 WeakPolarHBondContact O-CE 3.36Å; L303-L369 HydrophobicContact CD1-CD2 3.56Å; L303-L369 HydrophobicContact CD2-CD2 3.87Å; L303-L369 HydrophobicContact CG-CD2 4.4Å; L303-N372 HydrophobicContact CD2-CB 4.48Å; L303-I374 HydrophobicContact CD1-CD1 4.37Å; L303-I374 HydrophobicContact CD2-CD1 3.95Å; L303-I374 HydrophobicContact CG-CD1 4.18Å; L303-F399 HydrophobicContact CD1-CD1 4.43Å; L303-F399 HydrophobicContact CD1-CE1 3.92Å; L303-F399 HydrophobicContact CD1-CZ 4.38Å
304	K	97.2	Very high	96.8	Very high	91 Å²	91	55.6 Å²	55.6	40%	0.396	27%	0.274	S	S	.	.	H	α-helix	trans	-56.1	-38.3	178.6	-174.7	178	176.6	-177.1	0	112	L300 E301 Q306 D307 I317	L300-K304 VanDerWaalsContact O-CB 3.27Å; L300-K304 WeakPolarHBondContact O-CB 3.4Å; L300-K304 PolarHBondContact O-N 2.82Å; E301-K304 PolarHBondContact O-N 2.85Å; K304-Q306 PolarHBondContact O-N 2.96Å; K304-Q306 VanDerWaalsContact O-N 3.11Å; K304-D307 PolarHBondContact O-N 2.8Å; K304-I317 HydrophobicContact CD-CG2 4Å; K304-I317 WeakPolarHBondContact CE-O 3.3Å; K304-I317 PolarHBondContact NZ-O 3.3Å
305	K	96.8	Very high	96.9	Very high	141 Å²	141	51.9 Å²	51.9	61%	0.613	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.5	173	-69.7	164.5	-169.5	170.7	0	114.4	E301 L303	E301-K305 WeakPolarHBondContact O-CD 3.45Å; E301-K305 VanDerWaalsContact O-CG 3.29Å; E301-K305 WeakPolarHBondContact O-CG 3.38Å; E301-K305 PolarHBondContact O-N 3.15Å; L303-K305 PolarHBondContact O-N 2.84Å
306	Q	96.2	Very high	97	Very high	71 Å²	71	51.4 Å²	51.4	33%	0.332	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	3.9	-178.9	-63.8	171.2	60.7	0	0	113.7	Q302 L303 K304 R312 M368 N372	Q302-Q306 PolarHBondContact O-NE2 3.04Å; L303-Q306 CarbonylContact O-C 3.58Å; L303-Q306 WeakPolarHBondContact O-CA 3.44Å; L303-Q306 WeakPolarHBondContact O-CB 3.21Å; L303-Q306 PolarHBondContact O-N 2.99Å; K304-Q306 PolarHBondContact O-N 2.96Å; K304-Q306 VanDerWaalsContact O-N 3.11Å; Q306-R312 PolarHBondContact O-NE 3.45Å; Q306-M368 HydrophobicContact CB-CE 3.59Å; Q306-N372 PolarHBondContact NE2-OD1 3.19Å; Q306-N372 PolarHBondContact OE1-ND2 3.19Å; Q306-N372 PolarHBondContact OE1-OD1 2.97Å
307	D	96.5	Very high	97	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	25%	0.249	C	C	.	.			trans	-121.2	40.5	-179.5	-165.6	18.7	0	0	0	111.4	L303 K304 D309 N310 T311 R312 H316 M368	L303-D307 PolarHBondContact O-N 2.81Å; K304-D307 PolarHBondContact O-N 2.8Å; D307-D309 PolarHBondContact O-N 3.23Å; D307-N310 PolarHBondContact O-N 2.95Å; D307-N310 VanDerWaalsContact OD1-C 3.24Å; D307-N310 WeakPolarHBondContact OD1-CA 3.34Å; D307-N310 PolarHBondContact OD1-N 2.96Å; D307-T311 PolarHBondContact OD1-N 3.3Å; D307-R312 HydrophobicContact CB-CB 3.98Å; D307-R312 HydrophobicContact CB-CG 3.62Å; D307-R312 VanDerWaalsContact CG-CG 3.42Å; D307-R312 WeakPolarHBondContact OD1-CB 3.19Å; D307-R312 WeakPolarHBondContact OD1-CG 3.24Å; D307-R312 PolarHBondContact OD1-N 2.79Å; D307-H316 IonicContact OD2-CD2 3.74Å; D307-H316 IonicContact OD2-CE1 3.14Å; D307-H316 IonicContact OD2-NE2 2.95Å; D307-H316 PolarHBondContact OD2-NE2 2.91Å; D307-M368 HydrophobicContact CB-CE 4.26Å
308	V	93.9	Very high	96.9	Very high	136 Å²	136	53.6 Å²	53.6	82%	0.824	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.9	-177.9	-176.3	0	0	0	0	112.2
309	D	94.8	Very high	96.8	Very high	96 Å²	96	51.9 Å²	51.9	51%	0.513	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	1.4	178.8	62.3	8.1	0	0	0	114.1	D307 T311	D307-D309 PolarHBondContact O-N 3.23Å; D309-T311 HydrophobicContact CB-CG2 3.99Å; D309-T311 PolarHBondContact O-N 3.19Å; D309-T311 VanDerWaalsContact OD1-CB 3.31Å; D309-T311 WeakPolarHBondContact OD1-CB 3.43Å; D309-T311 WeakPolarHBondContact OD1-CG2 3.46Å; D309-T311 PolarHBondContact OD1-N 2.77Å; D309-T311 VanDerWaalsContact OD1-N 3.11Å; D309-T311 PolarHBondContact OD1-OG1 2.9Å; D309-T311 WeakPolarHBondContact OD2-CG2 3.43Å; D309-T311 PolarHBondContact OD2-OG1 3.35Å
310	N	95.2	Very high	96.8	Very high	66 Å²	66	56.1 Å²	56.1	35%	0.353	28%	0.281	S	S	.	.	S	Bend	trans	55.9	26.8	-176.9	-161.7	-5.4	0	0	0	113.6	D307 K387 K395	D307-N310 PolarHBondContact O-N 2.95Å; D307-N310 VanDerWaalsContact OD1-C 3.24Å; D307-N310 WeakPolarHBondContact OD1-CA 3.34Å; D307-N310 PolarHBondContact OD1-N 2.96Å; N310-K387 PolarHBondContact O-NZ 2.76Å; N310-K395 WeakPolarHBondContact OD1-CE 3.29Å; N310-K395 PolarHBondContact OD1-NZ 3.09Å
311	T	96.1	Very high	96.8	Very high	61 Å²	61	58.1 Å²	58.1	37%	0.374	29%	0.29	S	S	.	.			trans	-87.6	-24	178.8	65.3	0	0	0	0	113.5	D307 D309 N313 V364	D307-T311 PolarHBondContact OD1-N 3.3Å; D309-T311 HydrophobicContact CB-CG2 3.99Å; D309-T311 PolarHBondContact O-N 3.19Å; D309-T311 VanDerWaalsContact OD1-CB 3.31Å; D309-T311 WeakPolarHBondContact OD1-CB 3.43Å; D309-T311 WeakPolarHBondContact OD1-CG2 3.46Å; D309-T311 PolarHBondContact OD1-N 2.77Å; D309-T311 VanDerWaalsContact OD1-N 3.11Å; D309-T311 PolarHBondContact OD1-OG1 2.9Å; D309-T311 WeakPolarHBondContact OD2-CG2 3.43Å; D309-T311 PolarHBondContact OD2-OG1 3.35Å; T311-N313 PolarHBondContact O-N 3.34Å; T311-N313 VanDerWaalsContact O-N 3.16Å; T311-N313 PolarHBondContact O-ND2 3.4Å; T311-V364 VanDerWaalsContact O-CG1 3.26Å; T311-V364 WeakPolarHBondContact O-CG1 3.31Å
312	R	97.6	Very high	96.8	Very high	85 Å²	85	59 Å²	59	32%	0.321	30%	0.3	S	S	.	.	S	Bend	trans	-70.5	-13.5	-170	-54.7	-73.7	175.8	-116.8	-15.1	114.2	Q306 D307 V314 V364 C365 M368	Q306-R312 PolarHBondContact O-NE 3.45Å; D307-R312 HydrophobicContact CB-CB 3.98Å; D307-R312 HydrophobicContact CB-CG 3.62Å; D307-R312 VanDerWaalsContact CG-CG 3.42Å; D307-R312 WeakPolarHBondContact OD1-CB 3.19Å; D307-R312 WeakPolarHBondContact OD1-CG 3.24Å; D307-R312 PolarHBondContact OD1-N 2.79Å; R312-V314 VanDerWaalsContact C-N 3.25Å; R312-V314 HydrophobicContact CB-CG2 4.44Å; R312-V314 PolarHBondContact O-N 3.19Å; R312-V364 CarbonylContact O-C 3.52Å; R312-C365 VanDerWaalsContact O-CA 3.28Å; R312-C365 WeakPolarHBondContact O-CA 3.19Å; R312-C365 PolarHBondContact O-N 2.94Å; R312-M368 HydrophobicContact CB-CE 4.15Å; R312-M368 HydrophobicContact CB-SD 3.42Å; R312-M368 WeakPolarHBondContact CB-SD 3.3Å; R312-M368 HydrophobicContact CG-CE 3.77Å; R312-M368 HydrophobicContact CG-CG 4.37Å; R312-M368 HydrophobicContact CG-SD 3.57Å; R312-M368 VanDerWaalsContact CG-SD 3.57Å
313	N	98.1	Very high	96.9	Very high	14 Å²	14	55.3 Å²	55.3	8%	0.075	28%	0.283	C	S	.	.			trans	59.5	31.6	-178.9	-54.8	-44.7	0	0	0	114	T311 S361 K387 I394 K395 V396	T311-N313 PolarHBondContact O-N 3.34Å; T311-N313 VanDerWaalsContact O-N 3.16Å; T311-N313 PolarHBondContact O-ND2 3.4Å; N313-S361 PolarHBondContact ND2-O 3.09Å; N313-S361 VanDerWaalsContact ND2-O 3.16Å; N313-K387 VanDerWaalsContact OD1-CE 3.28Å; N313-K387 WeakPolarHBondContact OD1-CE 3.46Å; N313-K387 PolarHBondContact OD1-NZ 2.68Å; N313-I394 HydrophobicContact CB-CD1 4.15Å; N313-I394 WeakPolarHBondContact CB-O 3.5Å; N313-I394 PolarHBondContact OD1-O 3.14Å; N313-K395 CarbonylContact O-C 3.51Å; N313-K395 VanDerWaalsContact O-CA 3.23Å; N313-K395 WeakPolarHBondContact O-CA 3.4Å; N313-V396 PolarHBondContact O-N 2.86Å
314	V	98.2	Very high	96.8	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.018	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-93.8	142.8	166.5	179	0	0	0	0	108.6	L300 L303 R312 H316 C365 M368 K395 F399	L300-V314 HydrophobicContact CD2-CG1 4.1Å; L303-V314 HydrophobicContact CB-CG1 4.44Å; L303-V314 HydrophobicContact CD1-CG1 4.11Å; R312-V314 VanDerWaalsContact C-N 3.25Å; R312-V314 HydrophobicContact CB-CG2 4.44Å; R312-V314 PolarHBondContact O-N 3.19Å; V314-H316 PolarHBondContact O-CD2 2.9Å; V314-H316 VanDerWaalsContact O-CD2 3.25Å; V314-C365 HydrophobicContact CG2-CB 4.44Å; V314-M368 HydrophobicContact CG2-SD 3.75Å; V314-K395 VanDerWaalsContact O-CD 3.29Å; V314-K395 WeakPolarHBondContact O-CD 3.37Å; V314-K395 WeakPolarHBondContact O-CE 3.47Å; V314-K395 PolarHBondContact O-NZ 2.96Å; V314-F399 HydrophobicContact CG1-CE2 3.94Å; V314-F399 HydrophobicContact CG1-CZ 3.89Å
315	V	98	Very high	96.7	Very high	8 Å²	8	53.4 Å²	53.4	5%	0.048	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-61.3	133.3	173.1	71.2	0	0	0	0	111.5	L300 F331 E332 L334 V396 I397	L300-V315 HydrophobicContact CD2-CG1 4Å; V315-F331 HydrophobicContact CB-CD1 4.43Å; V315-F331 HydrophobicContact CG1-CD1 3.91Å; V315-F331 HydrophobicContact CG1-CE1 3.88Å; V315-F331 HydrophobicContact CG2-CB 4.12Å; V315-F331 HydrophobicContact CG2-CD1 3.71Å; V315-F331 HydrophobicContact CG2-CE1 4.5Å; V315-F331 HydrophobicContact CG2-CG 4.28Å; V315-E332 HydrophobicContact CG2-CG 4.36Å; V315-L334 HydrophobicContact CG2-CD1 4.14Å; V315-V396 WeakPolarHBondContact CB-O 3.06Å; V315-V396 PolarHBondContact N-O 2.83Å; V315-I397 HydrophobicContact CB-CG2 4.07Å; V315-I397 HydrophobicContact CG1-CB 4.44Å; V315-I397 HydrophobicContact CG1-CG2 4.47Å; V315-I397 HydrophobicContact CG2-CG2 4.25Å
316	H	97.7	Very high	96.8	Very high	34 Å²	34	46.7 Å²	46.7	16%	0.157	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-89.7	116.4	178.8	-70.1	-174.1	0	0	0	109.6	D307 V314 F331 E332 K395	D307-H316 IonicContact OD2-CD2 3.74Å; D307-H316 IonicContact OD2-CE1 3.14Å; D307-H316 IonicContact OD2-NE2 2.95Å; D307-H316 PolarHBondContact OD2-NE2 2.91Å; V314-H316 PolarHBondContact O-CD2 2.9Å; V314-H316 VanDerWaalsContact O-CD2 3.25Å; H316-F331 WeakPolarHBondContact O-CA 3.33Å; H316-E332 WeakPolarHBondContact CB-OE1 3.36Å; H316-E332 IonicContact CG-OE1 2.67Å; H316-E332 PolarHBondContact N-OE1 3.21Å; H316-E332 PolarHBondContact O-N 3.17Å; H316-K395 PolarHBondContact CD2-NZ 3.39Å; H316-K395 PolarHBondContact NE2-NZ 2.7Å
317	I	97.1	Very high	96.8	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	133.1	161.6	-174.2	171.1	0	0	0	109.1	I297 L300 E301 K304 H320 I329 T330	I297-I317 HydrophobicContact CB-CD1 4.43Å; I297-I317 HydrophobicContact CG1-CD1 4.15Å; I297-I317 HydrophobicContact CG2-CD1 4.17Å; L300-I317 HydrophobicContact CB-CB 4.26Å; L300-I317 HydrophobicContact CB-CG2 3.93Å; L300-I317 HydrophobicContact CD1-CB 4.5Å; E301-I317 HydrophobicContact CG-CG2 4.37Å; K304-I317 HydrophobicContact CD-CG2 4Å; K304-I317 WeakPolarHBondContact CE-O 3.3Å; K304-I317 PolarHBondContact NZ-O 3.3Å; I317-H320 HydrophobicContact CD1-CB 4.31Å; I317-I329 HydrophobicContact CD1-CG2 3.66Å; I317-I329 HydrophobicContact CG1-CG2 3.75Å; I317-T330 CarbonylContact C-O 3.53Å; I317-T330 WeakPolarHBondContact CA-O 3.27Å
318	S	95.7	Very high	96.9	Very high	59 Å²	59	44.1 Å²	44.1	41%	0.413	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-68	175.9	-65.5	0	0	0	0	110.3	T330	S318-T330 PolarHBondContact N-O 2.9Å
319	E	96.4	Very high	97.1	Very high	66 Å²	66	37.6 Å²	37.6	31%	0.308	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.4	-176.6	-53.9	-97.2	-144.3	0	0	108.9	R251 K273 T330	R251-E319 IonicContact CZ-OE1 2.82Å; R251-E319 VanDerWaalsContact CZ-OE1 3.26Å; R251-E319 IonicContact NH1-OE1 3.86Å; R251-E319 PolarHBondContact NH1-OE1 2.98Å; R251-E319 IonicContact NH2-OE1 3.7Å; R251-E319 PolarHBondContact NH2-OE1 3.33Å; K273-E319 IonicContact NZ-OE1 3.71Å; K273-E319 PolarHBondContact NZ-OE1 3.01Å; E319-T330 WeakPolarHBondContact CA-OG1 3.48Å; E319-T330 WeakPolarHBondContact CB-OG1 3.33Å; E319-T330 PolarHBondContact N-OG1 3.12Å; E319-T330 PolarHBondContact O-N 3.25Å; E319-T330 PolarHBondContact O-OG1 3.46Å
320	H	97.7	Very high	97.3	Very high	90 Å²	90	33.1 Å²	33.1	42%	0.417	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.1	170.2	71.7	-99.8	0	0	0	110.8	I297 E301 I317 C328	I297-H320 HydrophobicContact CD1-CB 3.89Å; I297-H320 HydrophobicContact CG1-CB 4.21Å; I297-H320 WeakPolarHBondContact CG2-ND1 3.4Å; E301-H320 IonicContact OE1-CE1 3.84Å; E301-H320 PolarHBondContact OE1-CE1 2.82Å; E301-H320 IonicContact OE1-ND1 3.47Å; E301-H320 PolarHBondContact OE1-ND1 2.83Å; I317-H320 HydrophobicContact CD1-CB 4.31Å; H320-C328 WeakPolarHBondContact CA-O 3.48Å
321	F	97.9	Very high	97.5	Very high	43 Å²	43	30.9 Å²	30.9	19%	0.189	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	176.2	-176.2	55.1	-87.7	0	0	0	111.2	V248 A249 Y252 L280 F323 C328 T330	V248-F321 HydrophobicContact CG1-CE2 3.6Å; V248-F321 HydrophobicContact CG1-CZ 3.8Å; A249-F321 HydrophobicContact CB-CD2 3.76Å; A249-F321 HydrophobicContact CB-CE2 3.45Å; A249-F321 VanDerWaalsContact CB-CE2 3.45Å; A249-F321 HydrophobicContact CB-CZ 4.09Å; Y252-F321 HydrophobicContact CD2-CE1 4.15Å; Y252-F321 AromaticContact CD2-CZ 3.77Å; Y252-F321 HydrophobicContact CD2-CZ 3.77Å; Y252-F321 HydrophobicContact CE2-CD1 4.47Å; Y252-F321 AromaticContact CE2-CE1 3.42Å; Y252-F321 HydrophobicContact CE2-CE1 3.42Å; Y252-F321 VanDerWaalsContact CE2-CE1 3.42Å; Y252-F321 AromaticContact CE2-CZ 3.53Å; Y252-F321 HydrophobicContact CE2-CZ 3.53Å; L280-F321 HydrophobicContact CD1-CZ 4.19Å; F321-F323 HydrophobicContact CD2-CB 4.23Å; F321-F323 HydrophobicContact CE2-CB 4.07Å; F321-C328 HydrophobicContact CD1-CB 4.29Å; F321-C328 HydrophobicContact CD2-CB 3.61Å; F321-C328 HydrophobicContact CE1-CB 3.99Å; F321-C328 HydrophobicContact CE2-CB 3.26Å; F321-C328 HydrophobicContact CG-CB 4.11Å; F321-C328 HydrophobicContact CZ-CB 3.47Å; F321-C328 VanDerWaalsContact CZ-CB 3.47Å; F321-C328 PolarHBondContact N-O 3.4Å; F321-C328 WeakPolarHBondContact O-CB 3.2Å; F321-C328 PolarHBondContact O-N 2.9Å; F321-T330 HydrophobicContact CE1-CG2 4.15Å
322	T	97.6	Very high	97.5	Very high	87 Å²	87	30.3 Å²	30.3	53%	0.534	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.5	169.8	-57.2	0	0	0	0	110	Y208 H326	Y208-T322 PolarHBondContact OH-O 2.77Å; T322-H326 VanDerWaalsContact CA-O 3.3Å; T322-H326 WeakPolarHBondContact CA-O 3.34Å; T322-H326 WeakPolarHBondContact CG2-O 3.49Å
323	F	97.8	Very high	97.5	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	126.2	174.3	176.3	-108.7	0	0	0	109.7	E204 H247 V248 A249 M282 F321 G325 H326	E204-F323 WeakPolarHBondContact OE1-CE2 3.46Å; H247-F323 AromaticContact CE1-CE2 3.99Å; H247-F323 AromaticContact CE1-CZ 3.85Å; H247-F323 AromaticContact ND1-CE2 3.95Å; H247-F323 AromaticContact ND1-CZ 3.7Å; V248-F323 HydrophobicContact CB-CD1 4.15Å; V248-F323 HydrophobicContact CB-CE1 4.15Å; V248-F323 HydrophobicContact CG1-CB 4.21Å; V248-F323 HydrophobicContact CG1-CD1 3.72Å; V248-F323 HydrophobicContact CG1-CE1 4.23Å; V248-F323 HydrophobicContact CG1-CG 4.01Å; V248-F323 HydrophobicContact CG2-CD1 4.05Å; V248-F323 HydrophobicContact CG2-CE1 3.89Å; A249-F323 HydrophobicContact CB-CD2 4.24Å; A249-F323 VanDerWaalsContact N-CD2 3.29Å; A249-F323 VanDerWaalsContact N-CE2 3.33Å; M282-F323 HydrophobicContact CE-CD1 4.16Å; F321-F323 HydrophobicContact CD2-CB 4.23Å; F321-F323 HydrophobicContact CE2-CB 4.07Å; F323-G325 VanDerWaalsContact C-N 3.32Å; F323-G325 PolarHBondContact O-N 2.67Å; F323-H326 PolarHBondContact N-O 3.33Å; F323-H326 PolarHBondContact O-N 3.3Å
324	R	96.8	Very high	97.5	Very high	11 Å²	11	29.7 Å²	29.7	4%	0.042	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.5	53.1	-178.6	-60.6	179.7	-175	167.4	-0.3	112.5	Y200 E201 E204 N230 Y233 Y240 H247 H326	Y200-R324 HydrophobicContact CE1-CG 4.26Å; E201-R324 IonicContact OE1-CZ 2.73Å; E201-R324 IonicContact OE1-NH1 3.89Å; E201-R324 IonicContact OE1-NH2 3.62Å; E201-R324 PolarHBondContact OE1-NH2 3.45Å; E204-R324 WeakPolarHBondContact OE1-CG 3.4Å; E204-R324 IonicContact OE1-CZ 3.17Å; E204-R324 IonicContact OE1-NE 2.73Å; E204-R324 PolarHBondContact OE1-NE 2.83Å; E204-R324 IonicContact OE1-NH2 3.82Å; E204-R324 IonicContact OE2-CZ 3.19Å; E204-R324 IonicContact OE2-NE 3.95Å; E204-R324 PolarHBondContact OE2-NE 3.32Å; E204-R324 VanDerWaalsContact OE2-NE 3.13Å; E204-R324 IonicContact OE2-NH2 3.94Å; E204-R324 PolarHBondContact OE2-NH2 3.06Å; N230-R324 PolarHBondContact ND2-O 2.74Å; Y233-R324 VanDerWaalsContact CE1-NH1 3.27Å; Y240-R324 HydrophobicContact CE2-CB 4.25Å; Y240-R324 PolarHBondContact OH-NH1 3.38Å; H247-R324 PolarHBondContact CE1-NH2 3.39Å; R324-H326 PolarHBondContact O-CD2 2.75Å; R324-H326 PolarHBondContact O-N 3.27Å; R324-H326 VanDerWaalsContact O-N 3.12Å
325	G	94.8	Very high	97.5	Very high	41 Å²	41	31 Å²	31	42%	0.423	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-18.9	-179.2	0	0	0	0	0	116.5	F323	F323-G325 VanDerWaalsContact C-N 3.32Å; F323-G325 PolarHBondContact O-N 2.67Å
326	H	98	Very high	97.4	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	139	-179.3	-60.3	-75.2	0	0	0	112.7	D234 G238 Y240 M282 V283 T322 F323 R324	D234-H326 IonicContact OD1-CE1 3.66Å; D234-H326 PolarHBondContact OD1-CE1 3.13Å; D234-H326 IonicContact OD1-NE2 3.74Å; D234-H326 PolarHBondContact OD1-NE2 3.37Å; D234-H326 IonicContact OD2-CE1 3.28Å; G238-H326 PolarHBondContact O-CE1 3.3Å; Y240-H326 WeakPolarHBondContact CB-NE2 3.48Å; Y240-H326 AromaticContact CD2-CD2 3.51Å; Y240-H326 AromaticContact CD2-NE2 3.44Å; Y240-H326 WeakPolarHBondContact CD2-NE2 3.35Å; Y240-H326 AromaticContact CG-CD2 3.97Å; Y240-H326 AromaticContact CG-NE2 3.88Å; Y240-H326 PolarHBondContact N-CE1 2.67Å; M282-H326 HydrophobicContact CE-CB 3.97Å; V283-H326 PolarHBondContact O-ND1 3.29Å; T322-H326 VanDerWaalsContact CA-O 3.3Å; T322-H326 WeakPolarHBondContact CA-O 3.34Å; T322-H326 WeakPolarHBondContact CG2-O 3.49Å; F323-H326 PolarHBondContact N-O 3.33Å; F323-H326 PolarHBondContact O-N 3.3Å; R324-H326 PolarHBondContact O-CD2 2.75Å; R324-H326 PolarHBondContact O-N 3.27Å; R324-H326 VanDerWaalsContact O-N 3.12Å
327	V	98.1	Very high	97.4	Very high	19 Å²	19	32.3 Å²	32.3	12%	0.115	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.3	160.6	179.4	0	0	0	0	108.3	V283 T290 A293 I297 I329	V283-V327 HydrophobicContact CB-CB 4.19Å; V283-V327 WeakPolarHBondContact CB-O 3.42Å; V283-V327 HydrophobicContact CG2-CB 4.36Å; V283-V327 WeakPolarHBondContact CG2-O 3.33Å; V283-V327 PolarHBondContact N-O 2.97Å; T290-V327 HydrophobicContact CG2-CG2 3.92Å; A293-V327 HydrophobicContact CB-CB 4.24Å; A293-V327 HydrophobicContact CB-CG1 3.88Å; I297-V327 HydrophobicContact CD1-CG1 4.07Å; V327-I329 HydrophobicContact CG1-CG1 4.32Å
328	C	98.4	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.1	-178.8	-70	0	0	0	0	109.5	L280 K281 H320 F321	L280-C328 HydrophobicContact CD1-CB 4Å; K281-C328 WeakPolarHBondContact O-CA 3.36Å; H320-C328 WeakPolarHBondContact CA-O 3.48Å; F321-C328 HydrophobicContact CD1-CB 4.29Å; F321-C328 HydrophobicContact CD2-CB 3.61Å; F321-C328 HydrophobicContact CE1-CB 3.99Å; F321-C328 HydrophobicContact CE2-CB 3.26Å; F321-C328 HydrophobicContact CG-CB 4.11Å; F321-C328 HydrophobicContact CZ-CB 3.47Å; F321-C328 VanDerWaalsContact CZ-CB 3.47Å; F321-C328 PolarHBondContact N-O 3.4Å; F321-C328 WeakPolarHBondContact O-CB 3.2Å; F321-C328 PolarHBondContact O-N 2.9Å
329	I	98.3	Very high	97.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127	176.8	-49.9	172	0	0	0	108.5	K281 A293 E296 I297 I317 V327 F331	K281-I329 HydrophobicContact CB-CB 4.43Å; K281-I329 PolarHBondContact N-O 2.94Å; K281-I329 PolarHBondContact O-N 3.13Å; A293-I329 HydrophobicContact CB-CD1 4.32Å; E296-I329 HydrophobicContact CG-CD1 4.47Å; I297-I329 HydrophobicContact CD1-CD1 4.03Å; I297-I329 HydrophobicContact CD1-CG1 4.02Å; I297-I329 HydrophobicContact CG1-CD1 3.66Å; I297-I329 HydrophobicContact CG1-CG1 3.95Å; I317-I329 HydrophobicContact CD1-CG2 3.66Å; I317-I329 HydrophobicContact CG1-CG2 3.75Å; V327-I329 HydrophobicContact CG1-CG1 4.32Å; I329-F331 HydrophobicContact CB-CE2 3.8Å; I329-F331 HydrophobicContact CB-CZ 4.14Å; I329-F331 HydrophobicContact CG2-CD2 4.19Å; I329-F331 HydrophobicContact CG2-CE1 4.13Å; I329-F331 HydrophobicContact CG2-CE2 3.48Å; I329-F331 VanDerWaalsContact CG2-CE2 3.48Å; I329-F331 HydrophobicContact CG2-CZ 3.46Å; I329-F331 VanDerWaalsContact CG2-CZ 3.46Å
330	T	98.4	Very high	97.6	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	146.2	175.8	57.9	0	0	0	0	111.7	Y252 V278 A279 L280 I317 S318 E319 F321	Y252-T330 HydrophobicContact CD1-CG2 4.47Å; Y252-T330 HydrophobicContact CE1-CG2 3.87Å; Y252-T330 HydrophobicContact CE2-CG2 4.29Å; V278-T330 HydrophobicContact CG2-CG2 4.48Å; A279-T330 CarbonylContact O-C 3.57Å; A279-T330 WeakPolarHBondContact O-CA 3.41Å; L280-T330 HydrophobicContact CB-CG2 4.37Å; L280-T330 HydrophobicContact CD1-CG2 3.78Å; I317-T330 CarbonylContact C-O 3.53Å; I317-T330 WeakPolarHBondContact CA-O 3.27Å; S318-T330 PolarHBondContact N-O 2.9Å; E319-T330 WeakPolarHBondContact CA-OG1 3.48Å; E319-T330 WeakPolarHBondContact CB-OG1 3.33Å; E319-T330 PolarHBondContact N-OG1 3.12Å; E319-T330 PolarHBondContact O-N 3.25Å; E319-T330 PolarHBondContact O-OG1 3.46Å; F321-T330 HydrophobicContact CE1-CG2 4.15Å
331	F	98.4	Very high	97.6	Very high	19 Å²	19	28.6 Å²	28.6	8%	0.083	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	161	-175.9	-59.2	-91.8	0	0	0	111.1	A279 K281 L300 V315 H316 I329	A279-F331 HydrophobicContact CB-CB 4.38Å; A279-F331 PolarHBondContact N-O 3.29Å; A279-F331 PolarHBondContact O-N 2.98Å; K281-F331 HydrophobicContact CB-CD2 4.49Å; K281-F331 HydrophobicContact CB-CE2 3.86Å; K281-F331 HydrophobicContact CD-CE2 4.15Å; K281-F331 HydrophobicContact CD-CZ 4.5Å; L300-F331 HydrophobicContact CD1-CE1 3.65Å; L300-F331 HydrophobicContact CD1-CZ 4.09Å; V315-F331 HydrophobicContact CB-CD1 4.43Å; V315-F331 HydrophobicContact CG1-CD1 3.91Å; V315-F331 HydrophobicContact CG1-CE1 3.88Å; V315-F331 HydrophobicContact CG2-CB 4.12Å; V315-F331 HydrophobicContact CG2-CD1 3.71Å; V315-F331 HydrophobicContact CG2-CE1 4.5Å; V315-F331 HydrophobicContact CG2-CG 4.28Å; H316-F331 WeakPolarHBondContact O-CA 3.33Å; I329-F331 HydrophobicContact CB-CE2 3.8Å; I329-F331 HydrophobicContact CB-CZ 4.14Å; I329-F331 HydrophobicContact CG2-CD2 4.19Å; I329-F331 HydrophobicContact CG2-CE1 4.13Å; I329-F331 HydrophobicContact CG2-CE2 3.48Å; I329-F331 VanDerWaalsContact CG2-CE2 3.48Å; I329-F331 HydrophobicContact CG2-CZ 3.46Å; I329-F331 VanDerWaalsContact CG2-CZ 3.46Å
332	E	97.3	Very high	97.6	Very high	49 Å²	49	26.5 Å²	26.5	23%	0.229	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	137	165.7	79.6	-161.3	104	0	0	111.2	V315 H316 L334 K395	V315-E332 HydrophobicContact CG2-CG 4.36Å; H316-E332 WeakPolarHBondContact CB-OE1 3.36Å; H316-E332 IonicContact CG-OE1 2.67Å; H316-E332 PolarHBondContact N-OE1 3.21Å; H316-E332 PolarHBondContact O-N 3.17Å; E332-L334 HydrophobicContact CG-CD1 4.49Å; E332-L334 HydrophobicContact CG-CD2 3.84Å; E332-L334 HydrophobicContact CG-CG 3.91Å; E332-L334 PolarHBondContact O-N 3.41Å; E332-K395 VanDerWaalsContact CD-NZ 3.33Å; E332-K395 WeakPolarHBondContact OE1-CD 3.37Å; E332-K395 WeakPolarHBondContact OE1-CE 3.45Å; E332-K395 IonicContact OE1-NZ 3.85Å; E332-K395 PolarHBondContact OE1-NZ 3.43Å; E332-K395 WeakPolarHBondContact OE2-CD 3.41Å; E332-K395 WeakPolarHBondContact OE2-CE 3.43Å; E332-K395 IonicContact OE2-NZ 2.7Å; E332-K395 PolarHBondContact OE2-NZ 3.39Å; E332-K395 VanDerWaalsContact OE2-NZ 3.17Å
333	L	97.9	Very high	97.6	Very high	60 Å²	60	24.8 Å²	24.8	31%	0.314	13%	0.134	S	C	.	.			trans	-80.7	104.3	178.7	-177.2	63.1	0	0	0	111	L258 K268 Y277 A279	L258-L333 HydrophobicContact CD1-CD1 3.71Å; K268-L333 HydrophobicContact CD-CD2 3.92Å; K268-L333 HydrophobicContact CG-CD2 3.95Å; Y277-L333 WeakPolarHBondContact O-CB 3.13Å; A279-L333 HydrophobicContact CB-CD1 4.17Å
334	L	97.6	Very high	97.6	Very high	26 Å²	26	30.8 Å²	30.8	14%	0.136	16%	0.156	C	C	.	.			trans	-86.4	174.8	176.2	-60.9	172.1	0	0	0	112.4	V315 E332 L385 K387 K395 I397	V315-L334 HydrophobicContact CG2-CD1 4.14Å; E332-L334 HydrophobicContact CG-CD1 4.49Å; E332-L334 HydrophobicContact CG-CD2 3.84Å; E332-L334 HydrophobicContact CG-CG 3.91Å; E332-L334 PolarHBondContact O-N 3.41Å; L334-L385 HydrophobicContact CB-CB 3.94Å; L334-L385 HydrophobicContact CB-CD2 3.85Å; L334-L385 HydrophobicContact CD1-CB 3.93Å; L334-L385 HydrophobicContact CD1-CD2 4.3Å; L334-K387 HydrophobicContact CD2-CG 4.46Å; L334-K395 HydrophobicContact CD1-CB 3.92Å; L334-K395 HydrophobicContact CD1-CD 4.48Å; L334-K395 HydrophobicContact CD2-CD 4.23Å; L334-K395 HydrophobicContact CD2-CG 4.47Å; L334-I397 HydrophobicContact CD1-CG2 3.9Å
335	S	97	Very high	97.5	Very high	31 Å²	31	31.8 Å²	31.8	22%	0.217	17%	0.165	C	C	.	.			trans	-92.9	-160.3	175.4	-162.2	0	0	0	0	111.5	L385 L386	S335-L385 WeakPolarHBondContact O-CD2 3.27Å; S335-L385 WeakPolarHBondContact O-CG 3.28Å; S335-L386 WeakPolarHBondContact CA-O 3.49Å; S335-L386 VanDerWaalsContact CB-O 3.28Å; S335-L386 WeakPolarHBondContact CB-O 3.48Å; S335-L386 PolarHBondContact N-O 3.02Å
336	I	96.5	Very high	97.6	Very high	33 Å²	33	37.7 Å²	37.7	17%	0.169	18%	0.179	C	C	.	.			trans	-60.3	154.6	-176.7	64.7	174.2	0	0	0	113.4	E340 L341 L385 L386	I336-E340 HydrophobicContact CB-CB 4.2Å; I336-E340 HydrophobicContact CD1-CB 4.49Å; I336-L341 HydrophobicContact CD1-CB 4.21Å; I336-L341 HydrophobicContact CD1-CD1 4.09Å; I336-L385 WeakPolarHBondContact O-CA 3.48Å; I336-L386 HydrophobicContact CD1-CD1 4.39Å; I336-L386 HydrophobicContact CG1-CD1 3.9Å; I336-L386 HydrophobicContact CG1-CG 4.41Å; I336-L386 PolarHBondContact O-N 3.45Å
337	N	97.9	Very high	97.6	Very high	36 Å²	36	41.2 Å²	41.2	19%	0.193	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-77	167.3	169.7	68.9	27.7	0	0	0	112.7	Y339 E340 L341 E382 I384 L385	N337-Y339 VanDerWaalsContact C-N 3.31Å; N337-Y339 PolarHBondContact O-N 2.99Å; N337-Y339 PolarHBondContact OD1-N 2.89Å; N337-E340 PolarHBondContact O-N 3.25Å; N337-E340 WeakPolarHBondContact OD1-CB 3.49Å; N337-E340 PolarHBondContact OD1-N 3.17Å; N337-L341 PolarHBondContact O-N 3.35Å; N337-L341 VanDerWaalsContact O-N 3.14Å; N337-E382 WeakPolarHBondContact CB-O 3.22Å; N337-E382 WeakPolarHBondContact ND2-CA 3.29Å; N337-E382 PolarHBondContact ND2-O 2.9Å; N337-I384 CarbonylContact C-O 3.59Å; N337-I384 VanDerWaalsContact CA-O 3.24Å; N337-I384 WeakPolarHBondContact CA-O 3.5Å; N337-L385 HydrophobicContact CB-CD1 3.62Å; N337-L385 HydrophobicContact CB-CG 4.05Å
338	L	98.4	Very high	97.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-69.8	-26.2	-178.8	-65.7	-175.8	0	0	0	112.9	L341 I342 F358 P381 I384 L386 I394 L445	L338-L341 HydrophobicContact CD2-CD2 3.92Å; L338-L341 WeakPolarHBondContact O-CB 3.29Å; L338-L341 PolarHBondContact O-N 3.21Å; L338-I342 WeakPolarHBondContact O-CD1 3.27Å; L338-I342 VanDerWaalsContact O-CG1 3.3Å; L338-I342 WeakPolarHBondContact O-CG1 3.29Å; L338-I342 PolarHBondContact O-N 3.46Å; L338-F358 HydrophobicContact CD2-CD1 4.23Å; L338-F358 HydrophobicContact CD2-CE1 3.83Å; L338-F358 HydrophobicContact CD2-CE2 4.28Å; L338-F358 HydrophobicContact CD2-CZ 3.85Å; L338-P381 HydrophobicContact CB-CB 4.13Å; L338-P381 PolarHBondContact N-O 3.46Å; L338-I384 HydrophobicContact CD1-CB 3.9Å; L338-I384 HydrophobicContact CD1-CD1 4.35Å; L338-I384 HydrophobicContact CD1-CG2 3.55Å; L338-I384 HydrophobicContact CG-CB 4.13Å; L338-I384 HydrophobicContact CG-CG2 3.96Å; L338-I384 PolarHBondContact N-O 2.79Å; L338-L386 HydrophobicContact CD2-CD2 3.96Å; L338-I394 HydrophobicContact CD2-CG2 4.26Å; L338-L445 HydrophobicContact CB-CD2 4.3Å; L338-L445 HydrophobicContact CD1-CD1 4.22Å; L338-L445 HydrophobicContact CD1-CD2 4.19Å
339	Y	98	Very high	97.5	Very high	42 Å²	42	47.8 Å²	47.8	17%	0.165	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-48.2	172.2	-177.4	-105.4	0	0	0	111.9	N337 L341 I342 K343 P381 E382 S718	N337-Y339 VanDerWaalsContact C-N 3.31Å; N337-Y339 PolarHBondContact O-N 2.99Å; N337-Y339 PolarHBondContact OD1-N 2.89Å; Y339-L341 PolarHBondContact O-N 3.2Å; Y339-I342 WeakPolarHBondContact O-CB 3.37Å; Y339-I342 PolarHBondContact O-N 3.34Å; Y339-K343 PolarHBondContact O-N 3.35Å; Y339-P381 PolarHBondContact N-O 2.86Å; Y339-E382 HydrophobicContact CG-CG 4.29Å; Y339-S718 PolarHBondContact OH-O 2.95Å
340	E	97.3	Very high	97.5	Very high	64 Å²	64	48.9 Å²	48.9	30%	0.299	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-27.7	174.7	-78.7	-63.7	131.7	0	0	112.3	I336 N337 K343 R344	I336-E340 HydrophobicContact CB-CB 4.2Å; I336-E340 HydrophobicContact CD1-CB 4.49Å; N337-E340 PolarHBondContact O-N 3.25Å; N337-E340 WeakPolarHBondContact OD1-CB 3.49Å; N337-E340 PolarHBondContact OD1-N 3.17Å; E340-K343 WeakPolarHBondContact OE1-CD 3.42Å; E340-K343 IonicContact OE1-NZ 3.98Å; E340-R344 WeakPolarHBondContact O-CB 3.29Å; E340-R344 WeakPolarHBondContact O-CD 3.42Å; E340-R344 WeakPolarHBondContact O-CG 3.34Å; E340-R344 PolarHBondContact O-N 3.26Å
341	L	97.3	Very high	97.4	Very high	36 Å²	36	53.3 Å²	53.3	19%	0.188	26%	0.261	C	S	.	.	H	α-helix	trans	-67.7	-39.9	170.3	-167.4	67.3	0	0	0	112	I336 N337 L338 Y339 R344 S345 F350 F358 L386	I336-L341 HydrophobicContact CD1-CB 4.21Å; I336-L341 HydrophobicContact CD1-CD1 4.09Å; N337-L341 PolarHBondContact O-N 3.35Å; N337-L341 VanDerWaalsContact O-N 3.14Å; L338-L341 HydrophobicContact CD2-CD2 3.92Å; L338-L341 WeakPolarHBondContact O-CB 3.29Å; L338-L341 PolarHBondContact O-N 3.21Å; Y339-L341 PolarHBondContact O-N 3.2Å; L341-R344 PolarHBondContact O-N 3.31Å; L341-S345 PolarHBondContact O-N 2.87Å; L341-F350 HydrophobicContact CB-CZ 4.29Å; L341-F350 HydrophobicContact CD2-CE2 4.39Å; L341-F350 HydrophobicContact CD2-CZ 3.99Å; L341-F350 HydrophobicContact CG-CE1 4.24Å; L341-F350 HydrophobicContact CG-CE2 4.46Å; L341-F350 HydrophobicContact CG-CZ 3.69Å; L341-F358 HydrophobicContact CD2-CE2 4.1Å; L341-F358 HydrophobicContact CD2-CZ 3.71Å; L341-L386 HydrophobicContact CD1-CD1 4.29Å; L341-L386 HydrophobicContact CD2-CD1 4.41Å; L341-L386 HydrophobicContact CD2-CD2 4.38Å
342	I	98.2	Very high	97.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-41.4	174.2	-63.8	157.8	0	0	0	111.1	L338 Y339 R344 S345 K346 F347 F350 E444 L445	L338-I342 WeakPolarHBondContact O-CD1 3.27Å; L338-I342 VanDerWaalsContact O-CG1 3.3Å; L338-I342 WeakPolarHBondContact O-CG1 3.29Å; L338-I342 PolarHBondContact O-N 3.46Å; Y339-I342 WeakPolarHBondContact O-CB 3.37Å; Y339-I342 PolarHBondContact O-N 3.34Å; I342-R344 VanDerWaalsContact C-N 3.3Å; I342-R344 PolarHBondContact O-N 3.04Å; I342-S345 CarbonylContact O-C 3.55Å; I342-S345 PolarHBondContact O-N 2.82Å; I342-S345 PolarHBondContact O-OG 3.1Å; I342-S345 VanDerWaalsContact O-OG 3.09Å; I342-K346 PolarHBondContact O-N 3.07Å; I342-F347 HydrophobicContact CG2-CD1 3.7Å; I342-F347 HydrophobicContact CG2-CE1 4.18Å; I342-F347 PolarHBondContact O-N 3.28Å; I342-F347 VanDerWaalsContact O-N 3.12Å; I342-F350 HydrophobicContact CG1-CE2 3.65Å; I342-F350 HydrophobicContact CG1-CZ 4.1Å; I342-E444 HydrophobicContact CD1-CG 3.94Å; I342-L445 HydrophobicContact CD1-CD2 4.15Å; I342-L445 HydrophobicContact CG1-CD2 4.32Å
343	K	97.9	Very high	97.3	Very high	50 Å²	50	54.4 Å²	54.4	22%	0.217	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-42.7	173.6	-167.2	177.3	-178	-178.6	0	110.5	Y339 E340 K346 F347 D721 I722	Y339-K343 PolarHBondContact O-N 3.35Å; E340-K343 WeakPolarHBondContact OE1-CD 3.42Å; E340-K343 IonicContact OE1-NZ 3.98Å; K343-K346 PolarHBondContact O-N 2.86Å; K343-K346 VanDerWaalsContact O-N 3.09Å; K343-F347 HydrophobicContact CB-CZ 4.1Å; K343-F347 HydrophobicContact CG-CE2 4.31Å; K343-F347 HydrophobicContact CG-CZ 4Å; K343-D721 PolarHBondContact NZ-O 2.98Å; K343-D721 IonicContact NZ-OD2 3.42Å; K343-D721 PolarHBondContact NZ-OD2 3.41Å; K343-I722 HydrophobicContact CG-CD1 4.47Å
344	R	96.4	Very high	97.2	Very high	127 Å²	127	53.9 Å²	53.9	48%	0.479	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-33.6	174.8	-74.7	169.9	-174.8	-142.5	0.6	113.9	E340 L341 I342 K346	E340-R344 WeakPolarHBondContact O-CB 3.29Å; E340-R344 WeakPolarHBondContact O-CD 3.42Å; E340-R344 WeakPolarHBondContact O-CG 3.34Å; E340-R344 PolarHBondContact O-N 3.26Å; L341-R344 PolarHBondContact O-N 3.31Å; I342-R344 VanDerWaalsContact C-N 3.3Å; I342-R344 PolarHBondContact O-N 3.04Å; R344-K346 PolarHBondContact O-N 2.98Å
345	S	95.2	Very high	97.2	Very high	32 Å²	32	52.7 Å²	52.7	22%	0.224	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	12.6	171.1	72.8	0	0	0	0	113.8	L341 I342 F347 Q348	L341-S345 PolarHBondContact O-N 2.87Å; I342-S345 CarbonylContact O-C 3.55Å; I342-S345 PolarHBondContact O-N 2.82Å; I342-S345 PolarHBondContact O-OG 3.1Å; I342-S345 VanDerWaalsContact O-OG 3.09Å; S345-F347 PolarHBondContact O-N 3.47Å; S345-Q348 WeakPolarHBondContact O-CB 3.48Å; S345-Q348 WeakPolarHBondContact O-CG 3.45Å; S345-Q348 PolarHBondContact O-N 3.18Å; S345-Q348 VanDerWaalsContact O-N 3.15Å
346	K	97.7	Very high	97.2	Very high	165 Å²	165	52.8 Å²	52.8	72%	0.717	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	37.8	179.7	-55.5	-179.4	-176.7	176.6	0	112.2	I342 K343 R344 Q348	I342-K346 PolarHBondContact O-N 3.07Å; K343-K346 PolarHBondContact O-N 2.86Å; K343-K346 VanDerWaalsContact O-N 3.09Å; R344-K346 PolarHBondContact O-N 2.98Å; K346-Q348 PolarHBondContact O-N 3.24Å; K346-Q348 VanDerWaalsContact O-N 3.12Å; K346-Q348 PolarHBondContact O-NE2 3.41Å
347	F	97.6	Very high	97.2	Very high	76 Å²	76	56 Å²	56	33%	0.333	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	25.4	179.3	-52.4	-83.1	0	0	0	114.4	I342 K343 S345 G349 G448 K531	I342-F347 HydrophobicContact CG2-CD1 3.7Å; I342-F347 HydrophobicContact CG2-CE1 4.18Å; I342-F347 PolarHBondContact O-N 3.28Å; I342-F347 VanDerWaalsContact O-N 3.12Å; K343-F347 HydrophobicContact CB-CZ 4.1Å; K343-F347 HydrophobicContact CG-CE2 4.31Å; K343-F347 HydrophobicContact CG-CZ 4Å; S345-F347 PolarHBondContact O-N 3.47Å; F347-G349 VanDerWaalsContact C-N 3.31Å; F347-G448 WeakPolarHBondContact CB-O 3.4Å; F347-G448 WeakPolarHBondContact CD1-O 3.48Å; F347-K531 PolarHBondContact O-NZ 3.27Å
348	Q	97.6	Very high	97.3	Very high	146 Å²	146	54.5 Å²	54.5	68%	0.682	26%	0.263	S	S	*	.			trans	-78.3	-17.4	174.4	-58.8	-50.7	-64.6	0	0	112.8	S345 K346	S345-Q348 WeakPolarHBondContact O-CB 3.48Å; S345-Q348 WeakPolarHBondContact O-CG 3.45Å; S345-Q348 PolarHBondContact O-N 3.18Å; S345-Q348 VanDerWaalsContact O-N 3.15Å; K346-Q348 PolarHBondContact O-N 3.24Å; K346-Q348 VanDerWaalsContact O-N 3.12Å; K346-Q348 PolarHBondContact O-NE2 3.41Å
349	G	97.2	Very high	97.3	Very high	11 Å²	11	54.5 Å²	54.5	11%	0.113	26%	0.263	C	S	.	.			trans	86.9	-167.4	-173	0	0	0	0	0	112.7	F347 L445 L446	F347-G349 VanDerWaalsContact C-N 3.31Å; G349-L445 CarbonylContact C-O 3.52Å; G349-L446 WeakPolarHBondContact CA-O 3.3Å
350	F	97.8	Very high	97.3	Very high	22 Å²	22	56.8 Å²	56.8	10%	0.096	28%	0.275	C	S	.	.			trans	-131.6	146	-177.6	-60.8	-57.8	0	0	0	112.5	L341 I342 L352 L354 V355 L445 L446	L341-F350 HydrophobicContact CB-CZ 4.29Å; L341-F350 HydrophobicContact CD2-CE2 4.39Å; L341-F350 HydrophobicContact CD2-CZ 3.99Å; L341-F350 HydrophobicContact CG-CE1 4.24Å; L341-F350 HydrophobicContact CG-CE2 4.46Å; L341-F350 HydrophobicContact CG-CZ 3.69Å; I342-F350 HydrophobicContact CG1-CE2 3.65Å; I342-F350 HydrophobicContact CG1-CZ 4.1Å; F350-L352 PolarHBondContact O-N 2.81Å; F350-L354 HydrophobicContact CB-CD2 4.19Å; F350-L354 HydrophobicContact CD1-CD2 4.05Å; F350-L354 HydrophobicContact CG-CD2 4.17Å; F350-V355 HydrophobicContact CB-CG2 4.03Å; F350-L445 WeakPolarHBondContact CB-O 3.17Å; F350-L445 HydrophobicContact CD2-CB 4.23Å; F350-L445 HydrophobicContact CD2-CD2 3.83Å; F350-L445 WeakPolarHBondContact CD2-O 3.15Å; F350-L445 HydrophobicContact CE2-CD2 3.7Å; F350-L445 PolarHBondContact N-O 2.86Å; F350-L446 PolarHBondContact N-O 2.59Å
351	P	96.9	Very high	97.3	Very high	95 Å²	95	54.8 Å²	54.8	62%	0.617	27%	0.268	S	S	*	.			trans	-54.7	136.9	172.2	-25.8	34.9	0	0	0	112	P353 L354 V355	P351-P353 VanDerWaalsContact C-N 3.29Å; P351-P353 VanDerWaalsContact O-N 3.09Å; P351-L354 WeakPolarHBondContact O-CA 3.12Å; P351-L354 WeakPolarHBondContact O-CB 3.11Å; P351-L354 PolarHBondContact O-N 3.45Å; P351-V355 PolarHBondContact O-N 2.92Å
352	L	96.2	Very high	97.4	Very high	25 Å²	25	53 Å²	53	13%	0.131	26%	0.259	C	S	.	.	H	α-helix	trans	-52.5	-33.3	-174.9	-164.8	65.8	0	0	0	115.2	F350 L354 V355 R356 L446 D535 F538 W564	F350-L352 PolarHBondContact O-N 2.81Å; L352-L354 VanDerWaalsContact C-N 3.3Å; L352-L354 PolarHBondContact O-N 3.4Å; L352-V355 HydrophobicContact CD1-CB 4.41Å; L352-V355 PolarHBondContact O-N 3.32Å; L352-R356 WeakPolarHBondContact O-CB 3.42Å; L352-R356 PolarHBondContact O-N 2.98Å; L352-L446 HydrophobicContact CB-CD1 4.49Å; L352-L446 HydrophobicContact CD1-CD1 4.1Å; L352-L446 HydrophobicContact CD1-CD2 4.35Å; L352-D535 HydrophobicContact CD2-CB 3.7Å; L352-D535 WeakPolarHBondContact CD2-OD2 3.25Å; L352-F538 HydrophobicContact CD1-CB 4.36Å; L352-F538 HydrophobicContact CD1-CD1 3.87Å; L352-F538 HydrophobicContact CD1-CD2 3.89Å; L352-F538 HydrophobicContact CD1-CE1 4.09Å; L352-F538 HydrophobicContact CD1-CE2 4.08Å; L352-F538 HydrophobicContact CD1-CG 3.75Å; L352-F538 HydrophobicContact CD1-CZ 4.16Å; L352-F538 HydrophobicContact CD2-CB 4.19Å; L352-F538 HydrophobicContact CD2-CG 4.45Å; L352-W564 HydrophobicContact CD1-CZ2 3.82Å; L352-W564 HydrophobicContact CG-CZ2 4.2Å
353	P	95.8	Very high	97.4	Very high	66 Å²	66	53 Å²	53	43%	0.429	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-28.3	172.1	-24.7	36	0	0	0	114.8	P351 K357 L569	P351-P353 VanDerWaalsContact C-N 3.29Å; P351-P353 VanDerWaalsContact O-N 3.09Å; P353-K357 PolarHBondContact O-N 3.47Å; P353-L569 HydrophobicContact CB-CD2 4.47Å
354	L	96.6	Very high	97.4	Very high	49 Å²	49	52 Å²	52	26%	0.257	26%	0.257	S	S	.	.	H	α-helix	trans	-78.9	-41.8	173.7	179.2	57.7	0	0	0	110.9	F350 P351 L352 R356 K357 F358	F350-L354 HydrophobicContact CB-CD2 4.19Å; F350-L354 HydrophobicContact CD1-CD2 4.05Å; F350-L354 HydrophobicContact CG-CD2 4.17Å; P351-L354 WeakPolarHBondContact O-CA 3.12Å; P351-L354 WeakPolarHBondContact O-CB 3.11Å; P351-L354 PolarHBondContact O-N 3.45Å; L352-L354 VanDerWaalsContact C-N 3.3Å; L352-L354 PolarHBondContact O-N 3.4Å; L354-R356 PolarHBondContact O-N 2.96Å; L354-K357 WeakPolarHBondContact O-CB 3.2Å; L354-K357 PolarHBondContact O-N 3Å; L354-F358 HydrophobicContact CD1-CD2 4.25Å; L354-F358 HydrophobicContact CD1-CE2 3.73Å; L354-F358 HydrophobicContact CD1-CZ 3.93Å; L354-F358 HydrophobicContact CD2-CE2 4.13Å; L354-F358 HydrophobicContact CG-CD2 4.12Å; L354-F358 HydrophobicContact CG-CE2 3.65Å; L354-F358 HydrophobicContact CG-CZ 4.31Å; L354-F358 WeakPolarHBondContact O-CD2 3.29Å; L354-F358 PolarHBondContact O-N 3.1Å
355	V	98.1	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-55.9	-40.7	171.5	-174.5	0	0	0	0	110.5	F350 P351 L352 F358 A359 L442 L445 L446 W564	F350-V355 HydrophobicContact CB-CG2 4.03Å; P351-V355 PolarHBondContact O-N 2.92Å; L352-V355 HydrophobicContact CD1-CB 4.41Å; L352-V355 PolarHBondContact O-N 3.32Å; V355-F358 PolarHBondContact O-N 3.17Å; V355-A359 VanDerWaalsContact O-CB 3.31Å; V355-A359 WeakPolarHBondContact O-CB 3.34Å; V355-A359 PolarHBondContact O-N 3.37Å; V355-L442 HydrophobicContact CG1-CB 4.31Å; V355-L442 HydrophobicContact CG1-CD2 4.18Å; V355-L445 HydrophobicContact CG1-CB 4.2Å; V355-L445 HydrophobicContact CG2-CB 4.26Å; V355-L446 HydrophobicContact CG2-CB 4.22Å; V355-L446 HydrophobicContact CG2-CD1 4.44Å; V355-W564 HydrophobicContact CG1-CH2 4.26Å
356	R	97.2	Very high	97.7	Very high	33 Å²	33	44.8 Å²	44.8	13%	0.125	23%	0.225	C	C	.	.	H	α-helix	trans	-64.2	-37.1	175.3	-165.4	-177.2	-61.3	155.1	4.6	113.6	L352 L354 A359 H360 W564 L565	L352-R356 WeakPolarHBondContact O-CB 3.42Å; L352-R356 PolarHBondContact O-N 2.98Å; L354-R356 PolarHBondContact O-N 2.96Å; R356-A359 PolarHBondContact O-N 3.48Å; R356-H360 PolarHBondContact O-N 3.17Å; R356-W564 HydrophobicContact CB-CH2 3.94Å; R356-W564 HydrophobicContact CB-CZ2 3.68Å; R356-W564 VanDerWaalsContact CD-O 3.22Å; R356-W564 WeakPolarHBondContact CD-O 3.2Å; R356-W564 HydrophobicContact CG-CD2 4.4Å; R356-W564 HydrophobicContact CG-CH2 4.21Å; R356-W564 HydrophobicContact CG-CZ2 4.06Å; R356-W564 HydrophobicContact CG-CZ3 4.45Å; R356-W564 PolarHBondContact NE-O 2.94Å; R356-L565 HydrophobicContact CG-CD2 3.73Å
357	K	96.8	Very high	97.7	Very high	102 Å²	102	37.5 Å²	37.5	44%	0.443	20%	0.195	S	C	.	.	H	α-helix	trans	-64.6	-48.2	174	-75.4	178.2	177.9	-177	0	111.3	P353 L354 A359 H360 S361	P353-K357 PolarHBondContact O-N 3.47Å; L354-K357 WeakPolarHBondContact O-CB 3.2Å; L354-K357 PolarHBondContact O-N 3Å; K357-A359 PolarHBondContact O-N 2.96Å; K357-H360 PolarHBondContact O-N 3.43Å; K357-S361 PolarHBondContact O-N 2.93Å; K357-S361 VanDerWaalsContact O-N 3.1Å; K357-S361 PolarHBondContact O-OG 2.95Å
358	F	98.3	Very high	97.7	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.013	18%	0.18	C	C	.	.	H	α-helix	trans	-61.7	-43.7	175.2	-67.1	-48.9	0	0	0	111.5	L338 L341 L354 V355 H360 S361 I362 L386 I394 L445	L338-F358 HydrophobicContact CD2-CD1 4.23Å; L338-F358 HydrophobicContact CD2-CE1 3.83Å; L338-F358 HydrophobicContact CD2-CE2 4.28Å; L338-F358 HydrophobicContact CD2-CZ 3.85Å; L341-F358 HydrophobicContact CD2-CE2 4.1Å; L341-F358 HydrophobicContact CD2-CZ 3.71Å; L354-F358 HydrophobicContact CD1-CD2 4.25Å; L354-F358 HydrophobicContact CD1-CE2 3.73Å; L354-F358 HydrophobicContact CD1-CZ 3.93Å; L354-F358 HydrophobicContact CD2-CE2 4.13Å; L354-F358 HydrophobicContact CG-CD2 4.12Å; L354-F358 HydrophobicContact CG-CE2 3.65Å; L354-F358 HydrophobicContact CG-CZ 4.31Å; L354-F358 WeakPolarHBondContact O-CD2 3.29Å; L354-F358 PolarHBondContact O-N 3.1Å; V355-F358 PolarHBondContact O-N 3.17Å; F358-H360 PolarHBondContact O-N 2.85Å; F358-S361 PolarHBondContact O-N 2.73Å; F358-S361 VanDerWaalsContact O-N 3.16Å; F358-I362 HydrophobicContact CB-CD1 4.39Å; F358-I362 WeakPolarHBondContact O-CD1 3.45Å; F358-I362 VanDerWaalsContact O-CG1 3.24Å; F358-I362 WeakPolarHBondContact O-CG1 3.44Å; F358-I362 PolarHBondContact O-N 3.01Å; F358-L386 HydrophobicContact CE1-CD2 3.82Å; F358-L386 HydrophobicContact CZ-CD2 4.15Å; F358-I394 HydrophobicContact CD1-CG2 3.85Å; F358-I394 HydrophobicContact CE1-CG2 3.88Å; F358-L445 HydrophobicContact CB-CD1 4.08Å; F358-L445 HydrophobicContact CD2-CD1 4.21Å; F358-L445 HydrophobicContact CD2-CD2 4.4Å; F358-L445 HydrophobicContact CG-CD1 4.48Å
359	A	98.6	Very high	97.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-55.1	-48.9	177.2	0	0	0	0	0	112.5	V355 R356 K357 I362 L363 F438 L442 W564 L565	V355-A359 VanDerWaalsContact O-CB 3.31Å; V355-A359 WeakPolarHBondContact O-CB 3.34Å; V355-A359 PolarHBondContact O-N 3.37Å; R356-A359 PolarHBondContact O-N 3.48Å; K357-A359 PolarHBondContact O-N 2.96Å; A359-I362 PolarHBondContact O-N 3.18Å; A359-L363 WeakPolarHBondContact O-CB 3.3Å; A359-L363 VanDerWaalsContact O-CG 3.25Å; A359-L363 WeakPolarHBondContact O-CG 3.18Å; A359-L363 PolarHBondContact O-N 2.63Å; A359-F438 HydrophobicContact CB-CE2 4.27Å; A359-F438 HydrophobicContact CB-CZ 4.1Å; A359-L442 HydrophobicContact CB-CD1 3.68Å; A359-L442 HydrophobicContact CB-CD2 3.68Å; A359-L442 HydrophobicContact CB-CG 4.34Å; A359-W564 HydrophobicContact CB-CH2 3.71Å; A359-W564 HydrophobicContact CB-CZ3 3.52Å; A359-L565 HydrophobicContact CB-CD2 4.41Å
360	H	98	Very high	97.8	Very high	90 Å²	90	29.6 Å²	29.6	42%	0.417	16%	0.156	S	C	.	.	H	α-helix	trans	-58.7	-49.2	175.2	-174.2	-64.1	0	0	0	111.7	R356 K357 F358 I362 L363 V364 F560 L565	R356-H360 PolarHBondContact O-N 3.17Å; K357-H360 PolarHBondContact O-N 3.43Å; F358-H360 PolarHBondContact O-N 2.85Å; H360-I362 PolarHBondContact O-N 3.27Å; H360-L363 PolarHBondContact O-N 3.33Å; H360-V364 WeakPolarHBondContact O-CG2 3.48Å; H360-V364 PolarHBondContact O-N 3.42Å; H360-F560 AromaticContact CE1-CE1 3.93Å; H360-F560 AromaticContact NE2-CE1 3.87Å; H360-L565 HydrophobicContact CB-CD2 4.02Å
361	S	97.8	Very high	97.8	Very high	22 Å²	22	36.6 Å²	36.6	15%	0.154	18%	0.181	C	C	.	.	H	α-helix	trans	-64.8	-36	-177.4	-66	0	0	0	0	113.5	N313 K357 F358	N313-S361 PolarHBondContact ND2-O 3.09Å; N313-S361 VanDerWaalsContact ND2-O 3.16Å; K357-S361 PolarHBondContact O-N 2.93Å; K357-S361 VanDerWaalsContact O-N 3.1Å; K357-S361 PolarHBondContact O-OG 2.95Å; F358-S361 PolarHBondContact O-N 2.73Å; F358-S361 VanDerWaalsContact O-N 3.16Å
362	I	98.7	Very high	97.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.9	-42.7	176.3	-62.7	158.8	0	0	0	110.4	F358 A359 H360 V364 C365 L366 L379 I384 I394 F438	F358-I362 HydrophobicContact CB-CD1 4.39Å; F358-I362 WeakPolarHBondContact O-CD1 3.45Å; F358-I362 VanDerWaalsContact O-CG1 3.24Å; F358-I362 WeakPolarHBondContact O-CG1 3.44Å; F358-I362 PolarHBondContact O-N 3.01Å; A359-I362 PolarHBondContact O-N 3.18Å; H360-I362 PolarHBondContact O-N 3.27Å; I362-V364 PolarHBondContact O-N 2.77Å; I362-C365 WeakPolarHBondContact O-CB 3.29Å; I362-C365 PolarHBondContact O-N 2.74Å; I362-L366 HydrophobicContact CG2-CD1 4Å; I362-L366 HydrophobicContact CG2-CG 4.2Å; I362-L366 PolarHBondContact O-N 2.68Å; I362-L379 HydrophobicContact CG2-CD2 4.48Å; I362-I384 HydrophobicContact CD1-CD1 3.83Å; I362-I384 HydrophobicContact CG1-CD1 4.1Å; I362-I384 HydrophobicContact CG1-CG2 4.35Å; I362-I394 HydrophobicContact CG1-CD1 4.09Å; I362-I394 HydrophobicContact CG1-CG1 4.34Å; I362-F438 HydrophobicContact CB-CD2 4.23Å; I362-F438 HydrophobicContact CB-CE2 4.08Å; I362-F438 HydrophobicContact CG2-CD2 3.71Å; I362-F438 HydrophobicContact CG2-CE2 4.05Å
363	L	98.6	Very high	98	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.1	-29.4	177.3	-75.9	168.7	0	0	0	113.7	A359 H360 C365 L366 D367 M435 F438 F541 P556 A559 F560 L565	A359-L363 WeakPolarHBondContact O-CB 3.3Å; A359-L363 VanDerWaalsContact O-CG 3.25Å; A359-L363 WeakPolarHBondContact O-CG 3.18Å; A359-L363 PolarHBondContact O-N 2.63Å; H360-L363 PolarHBondContact O-N 3.33Å; L363-C365 VanDerWaalsContact C-N 3.26Å; L363-C365 PolarHBondContact O-N 3.29Å; L363-L366 PolarHBondContact O-N 3.21Å; L363-D367 WeakPolarHBondContact O-CB 3.33Å; L363-D367 PolarHBondContact O-N 2.86Å; L363-M435 HydrophobicContact CD2-CE 4.02Å; L363-M435 HydrophobicContact CD2-SD 4.01Å; L363-F438 HydrophobicContact CD1-CE1 4.27Å; L363-F438 HydrophobicContact CD1-CZ 3.73Å; L363-F438 HydrophobicContact CD2-CD1 4.36Å; L363-F438 HydrophobicContact CD2-CE1 3.74Å; L363-F438 HydrophobicContact CD2-CE2 4.32Å; L363-F438 HydrophobicContact CD2-CZ 3.72Å; L363-F438 HydrophobicContact CG-CE1 4.03Å; L363-F438 HydrophobicContact CG-CE2 3.96Å; L363-F438 HydrophobicContact CG-CZ 3.46Å; L363-F438 VanDerWaalsContact CG-CZ 3.46Å; L363-F541 HydrophobicContact CD1-CZ 4.35Å; L363-P556 HydrophobicContact CD2-CB 4.15Å; L363-A559 HydrophobicContact CD1-CB 3.54Å; L363-A559 HydrophobicContact CD2-CB 3.58Å; L363-A559 HydrophobicContact CG-CB 4.22Å; L363-F560 HydrophobicContact CB-CD2 4.5Å; L363-F560 HydrophobicContact CB-CE1 4Å; L363-F560 HydrophobicContact CB-CE2 3.8Å; L363-F560 HydrophobicContact CB-CZ 3.51Å; L363-L565 HydrophobicContact CD1-CD1 3.35Å
364	V	98.3	Very high	98.1	Very high	29 Å²	29	34 Å²	34	18%	0.176	15%	0.154	C	C	.	.	H	α-helix	trans	-63.6	-35.7	175.7	173	0	0	0	0	110.9	T311 R312 H360 I362 F560	T311-V364 VanDerWaalsContact O-CG1 3.26Å; T311-V364 WeakPolarHBondContact O-CG1 3.31Å; R312-V364 CarbonylContact O-C 3.52Å; H360-V364 WeakPolarHBondContact O-CG2 3.48Å; H360-V364 PolarHBondContact O-N 3.42Å; I362-V364 PolarHBondContact O-N 2.77Å; V364-F560 HydrophobicContact CB-CZ 4.34Å; V364-F560 HydrophobicContact CG2-CE1 4.12Å; V364-F560 HydrophobicContact CG2-CZ 3.63Å
365	C	98.6	Very high	98.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-71.5	-51.5	170.6	174.1	0	0	0	0	110.9	R312 V314 I362 L363 D367 M368 L369 V396	R312-C365 VanDerWaalsContact O-CA 3.28Å; R312-C365 WeakPolarHBondContact O-CA 3.19Å; R312-C365 PolarHBondContact O-N 2.94Å; V314-C365 HydrophobicContact CG2-CB 4.44Å; I362-C365 WeakPolarHBondContact O-CB 3.29Å; I362-C365 PolarHBondContact O-N 2.74Å; L363-C365 VanDerWaalsContact C-N 3.26Å; L363-C365 PolarHBondContact O-N 3.29Å; C365-D367 VanDerWaalsContact C-N 3.3Å; C365-D367 PolarHBondContact O-N 3.17Å; C365-M368 WeakPolarHBondContact O-CA 3.42Å; C365-M368 VanDerWaalsContact O-CB 3.27Å; C365-M368 WeakPolarHBondContact O-CB 3.46Å; C365-M368 PolarHBondContact O-N 3.07Å; C365-L369 WeakPolarHBondContact O-CG 3.4Å; C365-L369 PolarHBondContact O-N 2.83Å; C365-V396 HydrophobicContact CB-CB 4.49Å; C365-V396 HydrophobicContact CB-CG2 3.79Å
366	L	98.7	Very high	98.2	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-61.1	-35.1	-175.3	-62.9	-179.6	0	0	0	113.4	I362 L363 L369 H370 L379 D434 M435 F438 P556	I362-L366 HydrophobicContact CG2-CD1 4Å; I362-L366 HydrophobicContact CG2-CG 4.2Å; I362-L366 PolarHBondContact O-N 2.68Å; L363-L366 PolarHBondContact O-N 3.21Å; L366-L369 HydrophobicContact CD2-CD1 4.48Å; L366-L369 PolarHBondContact O-N 2.76Å; L366-H370 WeakPolarHBondContact O-CB 3.48Å; L366-H370 PolarHBondContact O-N 2.92Å; L366-L379 HydrophobicContact CD1-CD2 4.14Å; L366-L379 HydrophobicContact CD2-CD2 4.14Å; L366-D434 HydrophobicContact CD2-CB 4.09Å; L366-M435 HydrophobicContact CD1-SD 3.96Å; L366-F438 HydrophobicContact CD1-CB 3.9Å; L366-F438 HydrophobicContact CD1-CD2 4.14Å; L366-F438 HydrophobicContact CD1-CG 4.02Å; L366-P556 HydrophobicContact CB-CB 4.19Å; L366-P556 HydrophobicContact CB-CG 3.83Å
367	D	98.4	Very high	98.2	Very high	13 Å²	13	30.2 Å²	30.2	7%	0.07	14%	0.136	C	C	.	.	H	α-helix	trans	-67.7	-34.8	173.9	-174.2	55.8	0	0	0	112.2	L363 C365 R371 P556 F560	L363-D367 WeakPolarHBondContact O-CB 3.33Å; L363-D367 PolarHBondContact O-N 2.86Å; C365-D367 VanDerWaalsContact C-N 3.3Å; C365-D367 PolarHBondContact O-N 3.17Å; D367-R371 WeakPolarHBondContact O-CB 3.34Å; D367-R371 WeakPolarHBondContact O-CD 3.21Å; D367-R371 WeakPolarHBondContact O-CG 3.25Å; D367-R371 PolarHBondContact O-N 3.29Å; D367-R371 IonicContact OD1-NE 2.75Å; D367-R371 IonicContact OD2-CZ 2.68Å; D367-R371 IonicContact OD2-NE 2.9Å; D367-R371 PolarHBondContact OD2-NE 3.04Å; D367-R371 IonicContact OD2-NH2 3.19Å; D367-R371 PolarHBondContact OD2-NH2 2.83Å; D367-P556 HydrophobicContact CB-CB 3.75Å; D367-F560 HydrophobicContact CB-CE2 3.96Å
368	M	97.9	Very high	98.3	Very high	6 Å²	6	26 Å²	26	3%	0.03	12%	0.119	C	C	.	.	H	α-helix	trans	-65.4	-45.4	172.4	-172.5	-163.4	-167.4	0	0	111.8	L303 Q306 D307 R312 V314 C365 R371 N372	L303-M368 HydrophobicContact CB-CE 3.86Å; L303-M368 HydrophobicContact CB-SD 4.48Å; L303-M368 HydrophobicContact CD2-CE 3.73Å; L303-M368 HydrophobicContact CD2-CG 4.11Å; L303-M368 HydrophobicContact CD2-SD 3.82Å; L303-M368 HydrophobicContact CG-CE 4.41Å; L303-M368 WeakPolarHBondContact O-CE 3.36Å; Q306-M368 HydrophobicContact CB-CE 3.59Å; D307-M368 HydrophobicContact CB-CE 4.26Å; R312-M368 HydrophobicContact CB-CE 4.15Å; R312-M368 HydrophobicContact CB-SD 3.42Å; R312-M368 WeakPolarHBondContact CB-SD 3.3Å; R312-M368 HydrophobicContact CG-CE 3.77Å; R312-M368 HydrophobicContact CG-CG 4.37Å; R312-M368 HydrophobicContact CG-SD 3.57Å; R312-M368 VanDerWaalsContact CG-SD 3.57Å; V314-M368 HydrophobicContact CG2-SD 3.75Å; C365-M368 WeakPolarHBondContact O-CA 3.42Å; C365-M368 VanDerWaalsContact O-CB 3.27Å; C365-M368 WeakPolarHBondContact O-CB 3.46Å; C365-M368 PolarHBondContact O-N 3.07Å; M368-R371 PolarHBondContact O-N 3.48Å; M368-N372 PolarHBondContact O-N 3.13Å; M368-N372 VanDerWaalsContact O-N 3.1Å; M368-N372 PolarHBondContact O-ND2 2.99Å
369	L	98.5	Very high	98.3	Very high	2 Å²	2	26 Å²	26	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-64.9	-43.9	177.9	-56.8	-171.6	0	0	0	111.2	L303 C365 L366 R371 N372 K373 I374 H376 F399	L303-L369 HydrophobicContact CD1-CD2 3.56Å; L303-L369 HydrophobicContact CD2-CD2 3.87Å; L303-L369 HydrophobicContact CG-CD2 4.4Å; C365-L369 WeakPolarHBondContact O-CG 3.4Å; C365-L369 PolarHBondContact O-N 2.83Å; L366-L369 HydrophobicContact CD2-CD1 4.48Å; L366-L369 PolarHBondContact O-N 2.76Å; L369-R371 PolarHBondContact O-N 3.25Å; L369-N372 CarbonylContact O-C 3.57Å; L369-N372 PolarHBondContact O-N 3.49Å; L369-N372 VanDerWaalsContact O-N 3.1Å; L369-K373 PolarHBondContact O-N 3.33Å; L369-I374 HydrophobicContact CB-CB 4.38Å; L369-I374 WeakPolarHBondContact CB-O 3.48Å; L369-I374 HydrophobicContact CD2-CB 4.46Å; L369-I374 HydrophobicContact CD2-CG2 4.26Å; L369-I374 PolarHBondContact O-N 3.28Å; L369-H376 HydrophobicContact CD1-CB 4.09Å; L369-F399 HydrophobicContact CD1-CE1 3.89Å; L369-F399 HydrophobicContact CD1-CZ 4.31Å; L369-F399 HydrophobicContact CD2-CE1 3.76Å; L369-F399 HydrophobicContact CD2-CZ 4.29Å; L369-F399 HydrophobicContact CG-CE1 4.49Å
370	H	98.4	Very high	98.3	Very high	58 Å²	58	27.4 Å²	27.4	27%	0.269	13%	0.125	S	C	.	.	H	α-helix	trans	-60.8	-40.9	177.1	-176.3	-79.3	0	0	0	112.8	L366 K373 P556	L366-H370 WeakPolarHBondContact O-CB 3.48Å; L366-H370 PolarHBondContact O-N 2.92Å; H370-K373 PolarHBondContact O-N 2.9Å; H370-P556 HydrophobicContact CB-CG 4.11Å
371	R	97.7	Very high	98.3	Very high	170 Å²	170	23.1 Å²	23.1	64%	0.642	11%	0.105	S	C	*	.	H	α-helix	trans	-63.7	-39	172.6	-71.2	163.3	-170.2	-142.1	14.1	112.4	D367 M368 L369 K373	D367-R371 WeakPolarHBondContact O-CB 3.34Å; D367-R371 WeakPolarHBondContact O-CD 3.21Å; D367-R371 WeakPolarHBondContact O-CG 3.25Å; D367-R371 PolarHBondContact O-N 3.29Å; D367-R371 IonicContact OD1-NE 2.75Å; D367-R371 IonicContact OD2-CZ 2.68Å; D367-R371 IonicContact OD2-NE 2.9Å; D367-R371 PolarHBondContact OD2-NE 3.04Å; D367-R371 IonicContact OD2-NH2 3.19Å; D367-R371 PolarHBondContact OD2-NH2 2.83Å; M368-R371 PolarHBondContact O-N 3.48Å; L369-R371 PolarHBondContact O-N 3.25Å; R371-K373 VanDerWaalsContact C-N 3.29Å; R371-K373 PolarHBondContact O-N 2.73Å
372	N	98.1	Very high	98.3	Very high	29 Å²	29	24.1 Å²	24.1	16%	0.155	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1.3	179.9	-80.5	-86.3	0	0	0	114.4	L303 Q306 M368 L369 I374	L303-N372 HydrophobicContact CD2-CB 4.48Å; Q306-N372 PolarHBondContact NE2-OD1 3.19Å; Q306-N372 PolarHBondContact OE1-ND2 3.19Å; Q306-N372 PolarHBondContact OE1-OD1 2.97Å; M368-N372 PolarHBondContact O-N 3.13Å; M368-N372 VanDerWaalsContact O-N 3.1Å; M368-N372 PolarHBondContact O-ND2 2.99Å; L369-N372 CarbonylContact O-C 3.57Å; L369-N372 PolarHBondContact O-N 3.49Å; L369-N372 VanDerWaalsContact O-N 3.1Å; N372-I374 HydrophobicContact CB-CD1 3.75Å; N372-I374 HydrophobicContact CB-CG1 4.2Å; N372-I374 PolarHBondContact O-N 3.18Å
373	K	98.3	Very high	98.3	Very high	103 Å²	103	24.7 Å²	24.7	45%	0.448	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	34.4	-175.1	-62.3	-54.9	-154.8	159.6	0	113.8	L369 H370 R371 Y404 E405 L431	L369-K373 PolarHBondContact O-N 3.33Å; H370-K373 PolarHBondContact O-N 2.9Å; R371-K373 VanDerWaalsContact C-N 3.29Å; R371-K373 PolarHBondContact O-N 2.73Å; K373-Y404 CarbonylContact O-C 3.58Å; K373-Y404 WeakPolarHBondContact O-CA 3.43Å; K373-E405 HydrophobicContact CB-CB 4.29Å; K373-E405 WeakPolarHBondContact CD-OE2 3.4Å; K373-E405 WeakPolarHBondContact CE-OE2 3.21Å; K373-E405 IonicContact NZ-OE2 3.98Å; K373-E405 PolarHBondContact NZ-OE2 3.39Å; K373-E405 PolarHBondContact O-N 2.04Å; K373-L431 HydrophobicContact CD-CD1 3.75Å
374	I	98.4	Very high	98.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.2	175.5	-66.4	159.6	0	0	0	109.2	I299 L303 L369 N372 Y404 L431	I299-I374 HydrophobicContact CD1-CG2 4.39Å; I299-I374 HydrophobicContact CG2-CD1 4.18Å; I299-I374 HydrophobicContact CG2-CG2 4.25Å; L303-I374 HydrophobicContact CD1-CD1 4.37Å; L303-I374 HydrophobicContact CD2-CD1 3.95Å; L303-I374 HydrophobicContact CG-CD1 4.18Å; L369-I374 HydrophobicContact CB-CB 4.38Å; L369-I374 WeakPolarHBondContact CB-O 3.48Å; L369-I374 HydrophobicContact CD2-CB 4.46Å; L369-I374 HydrophobicContact CD2-CG2 4.26Å; L369-I374 PolarHBondContact O-N 3.28Å; N372-I374 HydrophobicContact CB-CD1 3.75Å; N372-I374 HydrophobicContact CB-CG1 4.2Å; N372-I374 PolarHBondContact O-N 3.18Å; I374-Y404 HydrophobicContact CD1-CE1 4.09Å; I374-Y404 HydrophobicContact CG1-CD1 3.94Å; I374-Y404 HydrophobicContact CG1-CE1 3.71Å; I374-Y404 HydrophobicContact CG1-CE2 4.38Å; I374-Y404 HydrophobicContact CG1-CG 4.4Å; I374-L431 WeakPolarHBondContact O-CD2 3.21Å
375	I	98.5	Very high	98.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.4	172.8	-44.2	169.9	0	0	0	107.3	C377 S402 C403 E405 R408 Y429 L431 I433 D434	I375-C377 VanDerWaalsContact CG2-SG 3.53Å; I375-S402 WeakPolarHBondContact O-CA 3.46Å; I375-S402 VanDerWaalsContact O-CB 3.29Å; I375-S402 WeakPolarHBondContact O-CB 3.47Å; I375-C403 PolarHBondContact N-O 2.8Å; I375-C403 PolarHBondContact O-N 3.31Å; I375-C403 VanDerWaalsContact O-N 3.1Å; I375-E405 HydrophobicContact CD1-CB 4.37Å; I375-E405 HydrophobicContact CG1-CB 4.44Å; I375-R408 HydrophobicContact CD1-CG 4.3Å; I375-Y429 HydrophobicContact CD1-CD2 4.14Å; I375-Y429 HydrophobicContact CD1-CE2 3.94Å; I375-L431 HydrophobicContact CG1-CD2 4Å; I375-L431 HydrophobicContact CG1-CG 4.39Å; I375-I433 HydrophobicContact CG2-CD1 3.58Å; I375-I433 HydrophobicContact CG2-CG1 3.59Å; I375-D434 WeakPolarHBondContact CA-OD2 3.2Å; I375-D434 WeakPolarHBondContact CG2-OD2 3.31Å
376	H	98.5	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.111	C	C	.	.			trans	-70.2	-37.5	-178.7	-166.4	-86.3	0	0	0	111.9	L369 D378 L379 V396 I397 F399 S402 D434	L369-H376 HydrophobicContact CD1-CB 4.09Å; H376-D378 PolarHBondContact O-N 3.38Å; H376-L379 PolarHBondContact ND1-N 3.3Å; H376-V396 VanDerWaalsContact NE2-CG1 3.31Å; H376-V396 WeakPolarHBondContact NE2-CG1 3.47Å; H376-I397 PolarHBondContact CE1-O 2.75Å; H376-I397 PolarHBondContact NE2-O 2.92Å; H376-F399 AromaticContact CD2-CD1 3.98Å; H376-F399 AromaticContact CD2-CE1 3.61Å; H376-F399 AromaticContact CD2-CZ 3.68Å; H376-F399 AromaticContact NE2-CE2 3.85Å; H376-F399 AromaticContact NE2-CZ 3.9Å; H376-S402 WeakPolarHBondContact CA-OG 3.13Å; H376-S402 PolarHBondContact O-OG 3.03Å; H376-D434 PolarHBondContact N-OD2 3.35Å
377	C	98.1	Very high	98.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	12%	0.123	C	C	.	.	S	Bend	trans	64.5	-10.3	174.9	-63.2	0	0	0	0	116.9	I375 S401 I413 Q414 D434	I375-C377 VanDerWaalsContact CG2-SG 3.53Å; C377-S401 WeakPolarHBondContact CB-O 3.49Å; C377-I413 HydrophobicContact CB-CD1 4.29Å; C377-Q414 WeakPolarHBondContact O-CA 3.35Å; C377-Q414 WeakPolarHBondContact O-CG 3.36Å; C377-Q414 PolarHBondContact O-N 2.72Å; C377-D434 PolarHBondContact N-OD1 2.76Å; C377-D434 VanDerWaalsContact N-OD1 3.09Å
378	D	97.8	Very high	98.1	Very high	15 Å²	15	33.1 Å²	33.1	8%	0.08	15%	0.147	C	C	.	.			trans	-146.4	53	169.4	-161.9	30.5	0	0	0	113.7	H376 K380 N383 S415	H376-D378 PolarHBondContact O-N 3.38Å; D378-K380 IonicContact OD1-NZ 3.16Å; D378-K380 IonicContact OD2-NZ 3.22Å; D378-K380 PolarHBondContact OD2-NZ 3.25Å; D378-N383 PolarHBondContact O-ND2 2.9Å; D378-S415 WeakPolarHBondContact OD1-CB 3.39Å; D378-S415 PolarHBondContact OD1-N 2.88Å; D378-S415 PolarHBondContact OD1-OG 3.1Å; D378-S415 PolarHBondContact OD2-OG 2.95Å
379	L	98.7	Very high	97.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	18%	0.176	C	C	.	.			trans	-75.4	122.5	174.9	-168.9	78.8	0	0	0	110.6	I362 L366 H376 I384 V396 S437 F438 I441	I362-L379 HydrophobicContact CG2-CD2 4.48Å; L366-L379 HydrophobicContact CD1-CD2 4.14Å; L366-L379 HydrophobicContact CD2-CD2 4.14Å; H376-L379 PolarHBondContact ND1-N 3.3Å; L379-I384 HydrophobicContact CD1-CD1 4.35Å; L379-I384 HydrophobicContact CD1-CG1 4.41Å; L379-V396 HydrophobicContact CD1-CG1 3.8Å; L379-V396 HydrophobicContact CD1-CG2 4.49Å; L379-S437 WeakPolarHBondContact O-CB 3.32Å; L379-F438 HydrophobicContact CD2-CB 4.1Å; L379-I441 HydrophobicContact CD2-CD1 3.91Å; L379-I441 HydrophobicContact CG-CD1 3.76Å
380	K	98.6	Very high	97.4	Very high	31 Å²	31	42.9 Å²	42.9	14%	0.135	21%	0.213	C	C	.	.			trans	-157.9	163	-176.7	63.9	-166.9	-172.6	-151.2	0	111.6	D378 E382 N383 S415 Y418	D378-K380 IonicContact OD1-NZ 3.16Å; D378-K380 IonicContact OD2-NZ 3.22Å; D378-K380 PolarHBondContact OD2-NZ 3.25Å; K380-E382 WeakPolarHBondContact CB-OE2 3.36Å; K380-E382 HydrophobicContact CD-CB 4.41Å; K380-E382 HydrophobicContact CG-CB 4.15Å; K380-E382 VanDerWaalsContact CG-OE2 3.3Å; K380-E382 WeakPolarHBondContact CG-OE2 3.5Å; K380-E382 PolarHBondContact O-N 2.97Å; K380-N383 WeakPolarHBondContact CE-ND2 3.44Å; K380-N383 VanDerWaalsContact CE-OD1 3.3Å; K380-N383 WeakPolarHBondContact CE-OD1 3.46Å; K380-N383 HydrophobicContact CG-CB 3.91Å; K380-N383 PolarHBondContact O-N 3.33Å; K380-S415 VanDerWaalsContact CD-OG 3.27Å; K380-S415 WeakPolarHBondContact CD-OG 3.46Å; K380-S415 PolarHBondContact NZ-OG 2.85Å; K380-Y418 HydrophobicContact CB-CD2 3.51Å; K380-Y418 HydrophobicContact CB-CE2 3.47Å; K380-Y418 VanDerWaalsContact CB-CE2 3.47Å; K380-Y418 HydrophobicContact CB-CG 4.24Å
381	P	98.6	Very high	97.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-59.3	-26.8	180	-22.4	34.5	0	0	0	113.9	L338 Y339 N383 Y418 I441	L338-P381 HydrophobicContact CB-CB 4.13Å; L338-P381 PolarHBondContact N-O 3.46Å; Y339-P381 PolarHBondContact N-O 2.86Å; P381-N383 VanDerWaalsContact C-N 3.34Å; P381-Y418 WeakPolarHBondContact CD-OH 3.34Å; P381-Y418 HydrophobicContact CG-CE1 4.06Å; P381-I441 HydrophobicContact CG-CG1 4.17Å; P381-I441 HydrophobicContact CG-CG2 4.45Å
382	E	97.6	Very high	97	Very high	42 Å²	42	42.2 Å²	42.2	20%	0.196	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-70	-29.6	174.4	-55.4	93.1	136.5	0	0	112.9	N337 Y339 K380 L385	N337-E382 WeakPolarHBondContact CB-O 3.22Å; N337-E382 WeakPolarHBondContact ND2-CA 3.29Å; N337-E382 PolarHBondContact ND2-O 2.9Å; Y339-E382 HydrophobicContact CG-CG 4.29Å; K380-E382 WeakPolarHBondContact CB-OE2 3.36Å; K380-E382 HydrophobicContact CD-CB 4.41Å; K380-E382 HydrophobicContact CG-CB 4.15Å; K380-E382 VanDerWaalsContact CG-OE2 3.3Å; K380-E382 WeakPolarHBondContact CG-OE2 3.5Å; K380-E382 PolarHBondContact O-N 2.97Å; E382-L385 WeakPolarHBondContact O-CD1 3.24Å
383	N	98.4	Very high	97	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.064	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-97	18.3	-177.9	-71.7	5	0	0	0	112.8	D378 K380 P381 I397 D398	D378-N383 PolarHBondContact O-ND2 2.9Å; K380-N383 WeakPolarHBondContact CE-ND2 3.44Å; K380-N383 VanDerWaalsContact CE-OD1 3.3Å; K380-N383 WeakPolarHBondContact CE-OD1 3.46Å; K380-N383 HydrophobicContact CG-CB 3.91Å; K380-N383 PolarHBondContact O-N 3.33Å; P381-N383 VanDerWaalsContact C-N 3.34Å; N383-I397 HydrophobicContact CB-CG1 4.12Å; N383-I397 WeakPolarHBondContact O-CG1 3.14Å; N383-I397 PolarHBondContact O-N 3.28Å; N383-D398 PolarHBondContact ND2-OD2 3.35Å
384	I	98.7	Very high	97	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	113.2	173.8	-57.3	163.5	0	0	0	107.9	N337 L338 I362 L379 I394 K395 I441	N337-I384 CarbonylContact C-O 3.59Å; N337-I384 VanDerWaalsContact CA-O 3.24Å; N337-I384 WeakPolarHBondContact CA-O 3.5Å; L338-I384 HydrophobicContact CD1-CB 3.9Å; L338-I384 HydrophobicContact CD1-CD1 4.35Å; L338-I384 HydrophobicContact CD1-CG2 3.55Å; L338-I384 HydrophobicContact CG-CB 4.13Å; L338-I384 HydrophobicContact CG-CG2 3.96Å; L338-I384 PolarHBondContact N-O 2.79Å; I362-I384 HydrophobicContact CD1-CD1 3.83Å; I362-I384 HydrophobicContact CG1-CD1 4.1Å; I362-I384 HydrophobicContact CG1-CG2 4.35Å; L379-I384 HydrophobicContact CD1-CD1 4.35Å; L379-I384 HydrophobicContact CD1-CG1 4.41Å; I384-I394 HydrophobicContact CG2-CB 3.79Å; I384-I394 HydrophobicContact CG2-CD1 4.15Å; I384-I394 HydrophobicContact CG2-CG1 3.91Å; I384-I394 HydrophobicContact CG2-CG2 4.05Å; I384-K395 WeakPolarHBondContact CA-O 3.45Å; I384-I441 HydrophobicContact CD1-CD1 4.02Å; I384-I441 HydrophobicContact CD1-CG2 4.28Å
385	L	98.5	Very high	97	Very high	29 Å²	29	37.2 Å²	37.2	15%	0.152	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	142.6	-173.7	-83	62.7	0	0	0	111.7	L334 S335 I336 N337 E382 I394 K395 I397	L334-L385 HydrophobicContact CB-CB 3.94Å; L334-L385 HydrophobicContact CB-CD2 3.85Å; L334-L385 HydrophobicContact CD1-CB 3.93Å; L334-L385 HydrophobicContact CD1-CD2 4.3Å; S335-L385 WeakPolarHBondContact O-CD2 3.27Å; S335-L385 WeakPolarHBondContact O-CG 3.28Å; I336-L385 WeakPolarHBondContact O-CA 3.48Å; N337-L385 HydrophobicContact CB-CD1 3.62Å; N337-L385 HydrophobicContact CB-CG 4.05Å; E382-L385 WeakPolarHBondContact O-CD1 3.24Å; L385-I394 CarbonylContact O-C 3.59Å; L385-I394 WeakPolarHBondContact O-CA 3.44Å; L385-I394 WeakPolarHBondContact O-CB 3.48Å; L385-K395 PolarHBondContact N-O 3.42Å; L385-K395 PolarHBondContact O-N 3.26Å; L385-I397 HydrophobicContact CB-CG2 4.46Å; L385-I397 HydrophobicContact CD1-CD1 3.45Å; L385-I397 VanDerWaalsContact CD1-CD1 3.45Å; L385-I397 HydrophobicContact CD1-CG1 3.74Å; L385-I397 HydrophobicContact CD1-CG2 4.05Å; L385-I397 HydrophobicContact CD2-CD1 4.21Å; L385-I397 HydrophobicContact CD2-CG2 4.35Å; L385-I397 HydrophobicContact CG-CD1 4.5Å
386	L	98.3	Very high	97	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	132.2	169.4	-61.5	-178.4	0	0	0	109.8	S335 I336 L338 L341 F358 Q388 I394	S335-L386 WeakPolarHBondContact CA-O 3.49Å; S335-L386 VanDerWaalsContact CB-O 3.28Å; S335-L386 WeakPolarHBondContact CB-O 3.48Å; S335-L386 PolarHBondContact N-O 3.02Å; I336-L386 HydrophobicContact CD1-CD1 4.39Å; I336-L386 HydrophobicContact CG1-CD1 3.9Å; I336-L386 HydrophobicContact CG1-CG 4.41Å; I336-L386 PolarHBondContact O-N 3.45Å; L338-L386 HydrophobicContact CD2-CD2 3.96Å; L341-L386 HydrophobicContact CD1-CD1 4.29Å; L341-L386 HydrophobicContact CD2-CD1 4.41Å; L341-L386 HydrophobicContact CD2-CD2 4.38Å; F358-L386 HydrophobicContact CE1-CD2 3.82Å; F358-L386 HydrophobicContact CZ-CD2 4.15Å; L386-Q388 PolarHBondContact O-N 3.42Å; L386-I394 HydrophobicContact CD2-CG2 3.83Å
387	K	97	Very high	97	Very high	65 Å²	65	39 Å²	39	28%	0.283	21%	0.208	S	C	.	.	S	Bend	trans	-58.6	-38	172.3	-68.5	-170.8	-173.6	-173.1	0	111.2	N310 N313 L334 G393 I394 K395	N310-K387 PolarHBondContact O-NZ 2.76Å; N313-K387 VanDerWaalsContact OD1-CE 3.28Å; N313-K387 WeakPolarHBondContact OD1-CE 3.46Å; N313-K387 PolarHBondContact OD1-NZ 2.68Å; L334-K387 HydrophobicContact CD2-CG 4.46Å; K387-G393 PolarHBondContact N-O 3.33Å; K387-I394 WeakPolarHBondContact CE-O 3.18Å; K387-K395 HydrophobicContact CD-CG 4.32Å; K387-K395 HydrophobicContact CG-CG 4.02Å
388	Q	95	Very high	96.9	Very high	125 Å²	125	40 Å²	40	58%	0.584	21%	0.213	S	C	*	.	S	Bend	trans	-148.9	147.4	179.9	-67.7	178.9	-21.3	0	0	110.8	L386 R391	L386-Q388 PolarHBondContact O-N 3.42Å; Q388-R391 HydrophobicContact CB-CB 4.29Å; Q388-R391 HydrophobicContact CB-CG 4.13Å; Q388-R391 PolarHBondContact O-N 2.86Å
389	Q	91.6	Very high	96.8	Very high	137 Å²	137	39.3 Å²	39.3	64%	0.64	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	137.6	174.9	-176.3	169.3	-19.3	0	0	110.9	R391	Q389-R391 PolarHBondContact O-N 3.06Å
390	G	90	Very high	96.6	Very high	76 Å²	76	39.9 Å²	39.9	78%	0.784	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	2.6	-178.4	0	0	0	0	0	115.1
391	R	94.4	Very high	96.4	Very high	175 Å²	175	40.5 Å²	40.5	66%	0.66	22%	0.224	S	C	*	.			trans	-114.8	152.7	172.8	-57.3	-62.2	-178.1	132.9	-1.4	110	Q388 Q389	Q388-R391 HydrophobicContact CB-CB 4.29Å; Q388-R391 HydrophobicContact CB-CG 4.13Å; Q388-R391 PolarHBondContact O-N 2.86Å; Q389-R391 PolarHBondContact O-N 3.06Å
392	S	94.5	Very high	96.3	Very high	40 Å²	40	40.9 Å²	40.9	28%	0.28	23%	0.226	S	C	.	.			trans	-97.7	7.7	-177.5	68.5	0	0	0	0	114.6
393	G	97.2	Very high	96.3	Very high	26 Å²	26	39.4 Å²	39.4	27%	0.268	22%	0.221	S	C	.	.			trans	-76.6	135.4	173	0	0	0	0	0	110	K387	K387-G393 PolarHBondContact N-O 3.33Å
394	I	98.5	Very high	96.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	167.2	-178.1	56.5	69.9	0	0	0	112.8	N313 L338 F358 I362 I384 L385 L386 K387	N313-I394 HydrophobicContact CB-CD1 4.15Å; N313-I394 WeakPolarHBondContact CB-O 3.5Å; N313-I394 PolarHBondContact OD1-O 3.14Å; L338-I394 HydrophobicContact CD2-CG2 4.26Å; F358-I394 HydrophobicContact CD1-CG2 3.85Å; F358-I394 HydrophobicContact CE1-CG2 3.88Å; I362-I394 HydrophobicContact CG1-CD1 4.09Å; I362-I394 HydrophobicContact CG1-CG1 4.34Å; I384-I394 HydrophobicContact CG2-CB 3.79Å; I384-I394 HydrophobicContact CG2-CD1 4.15Å; I384-I394 HydrophobicContact CG2-CG1 3.91Å; I384-I394 HydrophobicContact CG2-CG2 4.05Å; L385-I394 CarbonylContact O-C 3.59Å; L385-I394 WeakPolarHBondContact O-CA 3.44Å; L385-I394 WeakPolarHBondContact O-CB 3.48Å; L386-I394 HydrophobicContact CD2-CG2 3.83Å; K387-I394 WeakPolarHBondContact CE-O 3.18Å
395	K	98.7	Very high	96.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150.4	155.8	-68.6	-167	162.2	-153.4	0	110.6	N310 N313 V314 H316 E332 L334 I384 L385 K387	N310-K395 WeakPolarHBondContact OD1-CE 3.29Å; N310-K395 PolarHBondContact OD1-NZ 3.09Å; N313-K395 CarbonylContact O-C 3.51Å; N313-K395 VanDerWaalsContact O-CA 3.23Å; N313-K395 WeakPolarHBondContact O-CA 3.4Å; V314-K395 VanDerWaalsContact O-CD 3.29Å; V314-K395 WeakPolarHBondContact O-CD 3.37Å; V314-K395 WeakPolarHBondContact O-CE 3.47Å; V314-K395 PolarHBondContact O-NZ 2.96Å; H316-K395 PolarHBondContact CD2-NZ 3.39Å; H316-K395 PolarHBondContact NE2-NZ 2.7Å; E332-K395 VanDerWaalsContact CD-NZ 3.33Å; E332-K395 WeakPolarHBondContact OE1-CD 3.37Å; E332-K395 WeakPolarHBondContact OE1-CE 3.45Å; E332-K395 IonicContact OE1-NZ 3.85Å; E332-K395 PolarHBondContact OE1-NZ 3.43Å; E332-K395 WeakPolarHBondContact OE2-CD 3.41Å; E332-K395 WeakPolarHBondContact OE2-CE 3.43Å; E332-K395 IonicContact OE2-NZ 2.7Å; E332-K395 PolarHBondContact OE2-NZ 3.39Å; E332-K395 VanDerWaalsContact OE2-NZ 3.17Å; L334-K395 HydrophobicContact CD1-CB 3.92Å; L334-K395 HydrophobicContact CD1-CD 4.48Å; L334-K395 HydrophobicContact CD2-CD 4.23Å; L334-K395 HydrophobicContact CD2-CG 4.47Å; I384-K395 WeakPolarHBondContact CA-O 3.45Å; L385-K395 PolarHBondContact N-O 3.42Å; L385-K395 PolarHBondContact O-N 3.26Å; K387-K395 HydrophobicContact CD-CG 4.32Å; K387-K395 HydrophobicContact CG-CG 4.02Å
396	V	98.7	Very high	95.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	138.8	169.5	-174.1	0	0	0	0	109	N313 V315 C365 H376 L379 F399	N313-V396 PolarHBondContact O-N 2.86Å; V315-V396 WeakPolarHBondContact CB-O 3.06Å; V315-V396 PolarHBondContact N-O 2.83Å; C365-V396 HydrophobicContact CB-CB 4.49Å; C365-V396 HydrophobicContact CB-CG2 3.79Å; H376-V396 VanDerWaalsContact NE2-CG1 3.31Å; H376-V396 WeakPolarHBondContact NE2-CG1 3.47Å; L379-V396 HydrophobicContact CD1-CG1 3.8Å; L379-V396 HydrophobicContact CD1-CG2 4.49Å; V396-F399 HydrophobicContact CG1-CE2 4.44Å; V396-F399 HydrophobicContact CG1-CZ 4.49Å
397	I	98.1	Very high	95.6	Very high	37 Å²	37	50 Å²	50	19%	0.19	28%	0.278	C	S	.	.			trans	-127.3	173.1	-176.3	73.9	155.6	0	0	0	112.2	V315 L334 H376 N383 L385	V315-I397 HydrophobicContact CB-CG2 4.07Å; V315-I397 HydrophobicContact CG1-CB 4.44Å; V315-I397 HydrophobicContact CG1-CG2 4.47Å; V315-I397 HydrophobicContact CG2-CG2 4.25Å; L334-I397 HydrophobicContact CD1-CG2 3.9Å; H376-I397 PolarHBondContact CE1-O 2.75Å; H376-I397 PolarHBondContact NE2-O 2.92Å; N383-I397 HydrophobicContact CB-CG1 4.12Å; N383-I397 WeakPolarHBondContact O-CG1 3.14Å; N383-I397 PolarHBondContact O-N 3.28Å; L385-I397 HydrophobicContact CB-CG2 4.46Å; L385-I397 HydrophobicContact CD1-CD1 3.45Å; L385-I397 VanDerWaalsContact CD1-CD1 3.45Å; L385-I397 HydrophobicContact CD1-CG1 3.74Å; L385-I397 HydrophobicContact CD1-CG2 4.05Å; L385-I397 HydrophobicContact CD2-CD1 4.21Å; L385-I397 HydrophobicContact CD2-CG2 4.35Å; L385-I397 HydrophobicContact CG-CD1 4.5Å
398	D	95.8	Very high	95.3	Very high	22 Å²	22	50.6 Å²	50.6	12%	0.118	28%	0.279	C	S	.	.			trans	62.8	74.1	170.5	-168.3	36.5	0	0	0	114.2	K281 N383 G400	K281-D398 IonicContact NZ-OD1 2.95Å; K281-D398 PolarHBondContact NZ-OD1 3Å; N383-D398 PolarHBondContact ND2-OD2 3.35Å; D398-G400 VanDerWaalsContact C-N 3.26Å; D398-G400 PolarHBondContact O-N 3.4Å
399	F	96.8	Very high	94.9	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-87.6	8.6	179.1	-75.8	-103.8	0	0	0	112.2	E296 I299 L300 L303 V314 L369 H376 V396 S401 S402	E296-F399 HydrophobicContact CG-CB 4.01Å; E296-F399 PolarHBondContact OE1-N 2.9Å; I299-F399 HydrophobicContact CG2-CB 4.45Å; I299-F399 HydrophobicContact CG2-CD1 3.78Å; I299-F399 HydrophobicContact CG2-CE1 4.47Å; I299-F399 HydrophobicContact CG2-CG 4.42Å; L300-F399 HydrophobicContact CD2-CB 4.39Å; L300-F399 HydrophobicContact CD2-CD2 3.71Å; L300-F399 HydrophobicContact CD2-CE2 4.17Å; L300-F399 HydrophobicContact CD2-CG 4.05Å; L300-F399 HydrophobicContact CG-CB 4.34Å; L300-F399 HydrophobicContact CG-CG 4.49Å; L303-F399 HydrophobicContact CD1-CD1 4.43Å; L303-F399 HydrophobicContact CD1-CE1 3.92Å; L303-F399 HydrophobicContact CD1-CZ 4.38Å; V314-F399 HydrophobicContact CG1-CE2 3.94Å; V314-F399 HydrophobicContact CG1-CZ 3.89Å; L369-F399 HydrophobicContact CD1-CE1 3.89Å; L369-F399 HydrophobicContact CD1-CZ 4.31Å; L369-F399 HydrophobicContact CD2-CE1 3.76Å; L369-F399 HydrophobicContact CD2-CZ 4.29Å; L369-F399 HydrophobicContact CG-CE1 4.49Å; H376-F399 AromaticContact CD2-CD1 3.98Å; H376-F399 AromaticContact CD2-CE1 3.61Å; H376-F399 AromaticContact CD2-CZ 3.68Å; H376-F399 AromaticContact NE2-CE2 3.85Å; H376-F399 AromaticContact NE2-CZ 3.9Å; V396-F399 HydrophobicContact CG1-CE2 4.44Å; V396-F399 HydrophobicContact CG1-CZ 4.49Å; F399-S401 PolarHBondContact O-N 2.97Å; F399-S401 VanDerWaalsContact O-N 3.12Å; F399-S402 WeakPolarHBondContact CA-OG 3.28Å; F399-S402 WeakPolarHBondContact CD1-OG 3.48Å; F399-S402 VanDerWaalsContact O-CB 3.24Å; F399-S402 WeakPolarHBondContact O-CB 3.06Å; F399-S402 PolarHBondContact O-N 3.33Å; F399-S402 PolarHBondContact O-OG 2.78Å
400	G	93.9	Very high	94.8	Very high	13 Å²	13	48.9 Å²	48.9	13%	0.134	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-63.7	-13.2	179.2	0	0	0	0	0	115.7	Q292 E296 D398	Q292-G400 PolarHBondContact NE2-O 3.05Å; Q292-G400 VanDerWaalsContact NE2-O 3.08Å; E296-G400 VanDerWaalsContact CD-N 3.25Å; E296-G400 PolarHBondContact OE1-N 3.47Å; E296-G400 WeakPolarHBondContact OE2-CA 3.48Å; D398-G400 VanDerWaalsContact C-N 3.26Å; D398-G400 PolarHBondContact O-N 3.4Å
401	S	94.5	Very high	95	Very high	45 Å²	45	51.1 Å²	51.1	32%	0.315	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-102.3	-7.2	169.9	-64.6	0	0	0	0	113.7	C377 F399	C377-S401 WeakPolarHBondContact CB-O 3.49Å; F399-S401 PolarHBondContact O-N 2.97Å; F399-S401 VanDerWaalsContact O-N 3.12Å
402	S	96.9	Very high	95	Very high	7 Å²	7	47.9 Å²	47.9	5%	0.049	26%	0.259	C	S	.	.			trans	-72.7	153.9	-173	-57.9	0	0	0	0	112.6	I375 H376 F399	I375-S402 WeakPolarHBondContact O-CA 3.46Å; I375-S402 VanDerWaalsContact O-CB 3.29Å; I375-S402 WeakPolarHBondContact O-CB 3.47Å; H376-S402 WeakPolarHBondContact CA-OG 3.13Å; H376-S402 PolarHBondContact O-OG 3.03Å; F399-S402 WeakPolarHBondContact CA-OG 3.28Å; F399-S402 WeakPolarHBondContact CD1-OG 3.48Å; F399-S402 VanDerWaalsContact O-CB 3.24Å; F399-S402 WeakPolarHBondContact O-CB 3.06Å; F399-S402 PolarHBondContact O-N 3.33Å; F399-S402 PolarHBondContact O-OG 2.78Å
403	C	96.6	Very high	95.1	Very high	12 Å²	12	46.8 Å²	46.8	8%	0.081	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	157.4	175.8	62.9	0	0	0	0	111.2	I375	I375-C403 PolarHBondContact N-O 2.8Å; I375-C403 PolarHBondContact O-N 3.31Å; I375-C403 VanDerWaalsContact O-N 3.1Å
404	Y	97	Very high	95.1	Very high	32 Å²	32	46 Å²	46	13%	0.125	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	149.1	167.7	-70.4	-98.3	0	0	0	111.1	E295 R298 I299 K373 I374 S406 Q407	E295-Y404 WeakPolarHBondContact OE1-CD2 3.22Å; R298-Y404 VanDerWaalsContact CZ-CE2 3.48Å; I299-Y404 HydrophobicContact CD1-CD2 4.49Å; I299-Y404 HydrophobicContact CD1-CE2 4.22Å; I299-Y404 HydrophobicContact CG1-CD2 4.37Å; I299-Y404 HydrophobicContact CG1-CE2 3.63Å; K373-Y404 CarbonylContact O-C 3.58Å; K373-Y404 WeakPolarHBondContact O-CA 3.43Å; I374-Y404 HydrophobicContact CD1-CE1 4.09Å; I374-Y404 HydrophobicContact CG1-CD1 3.94Å; I374-Y404 HydrophobicContact CG1-CE1 3.71Å; I374-Y404 HydrophobicContact CG1-CE2 4.38Å; I374-Y404 HydrophobicContact CG1-CG 4.4Å; Y404-S406 PolarHBondContact O-N 3.32Å; Y404-Q407 CarbonylContact O-C 3.52Å; Y404-Q407 PolarHBondContact O-N 3.48Å
405	E	95.8	Very high	95.1	Very high	45 Å²	45	47.7 Å²	47.7	21%	0.21	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.5	-179.2	-178	165	-114.6	0	0	113.3	K373 I375 R408 L431	K373-E405 HydrophobicContact CB-CB 4.29Å; K373-E405 WeakPolarHBondContact CD-OE2 3.4Å; K373-E405 WeakPolarHBondContact CE-OE2 3.21Å; K373-E405 IonicContact NZ-OE2 3.98Å; K373-E405 PolarHBondContact NZ-OE2 3.39Å; K373-E405 PolarHBondContact O-N 2.04Å; I375-E405 HydrophobicContact CD1-CB 4.37Å; I375-E405 HydrophobicContact CG1-CB 4.44Å; E405-R408 PolarHBondContact O-NH1 3.29Å; E405-R408 PolarHBondContact O-NH2 3.1Å; E405-L431 WeakPolarHBondContact OE1-CG 3.1Å; E405-L431 PolarHBondContact OE1-N 2.96Å; E405-L431 VanDerWaalsContact OE1-N 3.15Å
406	S	94.8	Very high	95.1	Very high	97 Å²	97	50.2 Å²	50.2	68%	0.678	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-25	168.9	48.4	0	0	0	0	113.7	Y404	Y404-S406 PolarHBondContact O-N 3.32Å
407	Q	92.8	Very high	95.1	Very high	95 Å²	95	52 Å²	52	44%	0.444	27%	0.268	S	S	.	.			trans	-115.3	43	-164.9	-66.8	172.4	-30.1	0	0	112.8	Y404 L409	Y404-Q407 CarbonylContact O-C 3.52Å; Y404-Q407 PolarHBondContact O-N 3.48Å; Q407-L409 PolarHBondContact O-N 3.43Å
408	R	90.4	Very high	95.1	Very high	78 Å²	78	50.5 Å²	50.5	29%	0.294	26%	0.26	S	S	.	.			trans	-71.1	112	176.7	-69.5	177	-68.2	-87.6	-38.8	111.5	I375 E405 Y429	I375-R408 HydrophobicContact CD1-CG 4.3Å; E405-R408 PolarHBondContact O-NH1 3.29Å; E405-R408 PolarHBondContact O-NH2 3.1Å; R408-Y429 HydrophobicContact CB-CE1 4.25Å; R408-Y429 HydrophobicContact CB-CE2 4.44Å; R408-Y429 WeakPolarHBondContact CB-OH 3.35Å; R408-Y429 WeakPolarHBondContact CD-O 3.34Å; R408-Y429 HydrophobicContact CG-CD2 4.4Å; R408-Y429 HydrophobicContact CG-CE1 4.19Å; R408-Y429 HydrophobicContact CG-CE2 3.65Å; R408-Y429 WeakPolarHBondContact CG-OH 3.25Å; R408-Y429 PolarHBondContact NE-O 2.89Å; R408-Y429 PolarHBondContact NH1-O 2.96Å
409	L	86.2	Confident	95.2	Very high	142 Å²	142	49.8 Å²	49.8	74%	0.743	26%	0.256	S	S	*	.			trans	-98.4	-28.2	-178.8	-61.4	179.3	0	0	0	115	Q407	Q407-L409 PolarHBondContact O-N 3.43Å
410	Y	90.1	Very high	95.3	Very high	84 Å²	84	49.7 Å²	49.7	33%	0.329	26%	0.255	S	S	.	.			trans	-120.5	138.3	-166.8	-60	-68.7	0	0	0	112.5	Y429	Y410-Y429 WeakPolarHBondContact O-CE1 3.35Å; Y410-Y429 PolarHBondContact O-OH 2.94Å
411	T	93.1	Very high	95.5	Very high	122 Å²	122	49.1 Å²	49.1	75%	0.748	25%	0.249	S	C	*	.	S	Bend	trans	-91.6	-28.1	176.7	50.7	0	0	0	0	113.5	V423	T411-V423 WeakPolarHBondContact O-CG1 3.49Å
412	Y	95.1	Very high	95.7	Very high	107 Å²	107	47 Å²	47	42%	0.42	23%	0.234	S	C	.	.	S	Bend	trans	-102.7	93.4	176.8	-172.1	-91.8	0	0	0	109.7	R419	Y412-R419 PolarHBondContact OH-NH1 2.72Å; Y412-R419 PolarHBondContact OH-NH2 3.2Å
413	I	96	Very high	95.8	Very high	17 Å²	17	47 Å²	47	9%	0.087	23%	0.234	C	C	.	.			trans	-128.2	175.3	-177	60.2	169.5	0	0	0	111.2	C377 R419 V423 Y429 I433	C377-I413 HydrophobicContact CB-CD1 4.29Å; I413-R419 PolarHBondContact O-NE 3.15Å; I413-R419 PolarHBondContact O-NH2 3.34Å; I413-V423 HydrophobicContact CD1-CG2 4.27Å; I413-V423 HydrophobicContact CG1-CG1 3.67Å; I413-V423 HydrophobicContact CG1-CG2 4.13Å; I413-Y429 HydrophobicContact CD1-CD1 4.34Å; I413-Y429 HydrophobicContact CD1-CD2 3.83Å; I413-Y429 HydrophobicContact CD1-CE1 3.99Å; I413-Y429 HydrophobicContact CD1-CE2 3.42Å; I413-Y429 VanDerWaalsContact CD1-CE2 3.42Å; I413-Y429 HydrophobicContact CD1-CG 4.28Å; I413-I433 HydrophobicContact CD1-CD1 3.45Å; I413-I433 VanDerWaalsContact CD1-CD1 3.45Å
414	Q	98	Very high	95.9	Very high	10 Å²	10	46.5 Å²	46.5	5%	0.047	23%	0.23	C	C	.	.	S	Bend	trans	60.9	138.9	-175.4	-56.8	172.8	-66.6	0	0	115.2	C377 Y418 R419 I433 S437	C377-Q414 WeakPolarHBondContact O-CA 3.35Å; C377-Q414 WeakPolarHBondContact O-CG 3.36Å; C377-Q414 PolarHBondContact O-N 2.72Å; Q414-Y418 PolarHBondContact NE2-O 3.01Å; Q414-R419 HydrophobicContact CB-CB 3.95Å; Q414-R419 HydrophobicContact CB-CG 4.16Å; Q414-R419 PolarHBondContact O-NE 3.34Å; Q414-R419 PolarHBondContact O-NH2 2.76Å; Q414-I433 HydrophobicContact CG-CD1 4.18Å; Q414-I433 PolarHBondContact NE2-O 3.31Å; Q414-S437 PolarHBondContact NE2-OG 2.89Å
415	S	97.4	Very high	95.9	Very high	35 Å²	35	45 Å²	45	25%	0.245	22%	0.224	C	C	.	.			trans	-62.8	132.5	167.7	-66.2	0	0	0	0	110.2	D378 K380 F417 Y418 R419	D378-S415 WeakPolarHBondContact OD1-CB 3.39Å; D378-S415 PolarHBondContact OD1-N 2.88Å; D378-S415 PolarHBondContact OD1-OG 3.1Å; D378-S415 PolarHBondContact OD2-OG 2.95Å; K380-S415 VanDerWaalsContact CD-OG 3.27Å; K380-S415 WeakPolarHBondContact CD-OG 3.46Å; K380-S415 PolarHBondContact NZ-OG 2.85Å; S415-F417 PolarHBondContact O-N 2.95Å; S415-F417 VanDerWaalsContact O-N 3.13Å; S415-Y418 PolarHBondContact O-N 2.96Å; S415-R419 PolarHBondContact O-N 2.88Å
416	R	98.4	Very high	95.9	Very high	53 Å²	53	43.7 Å²	43.7	20%	0.2	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-51.7	-47	-155.6	-168.2	-166.3	-63	126.3	1.9	115.1	Y418 R419 G454 E455 Q460	R416-Y418 PolarHBondContact O-N 3.11Å; R416-R419 VanDerWaalsContact O-CB 3.3Å; R416-R419 WeakPolarHBondContact O-CB 3.17Å; R416-R419 PolarHBondContact O-N 3.3Å; R416-R419 VanDerWaalsContact O-N 3.17Å; R416-G454 WeakPolarHBondContact CD-O 3.42Å; R416-G454 PolarHBondContact NH1-O 3.18Å; R416-G454 VanDerWaalsContact NH1-O 3.13Å; R416-E455 PolarHBondContact NH1-O 3.41Å; R416-E455 PolarHBondContact NH2-O 3.36Å; R416-Q460 HydrophobicContact CG-CB 4.07Å; R416-Q460 HydrophobicContact CG-CG 4.04Å; R416-Q460 PolarHBondContact O-NE2 3.28Å
417	F	98.7	Very high	95.9	Very high	38 Å²	38	39.9 Å²	39.9	17%	0.167	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-62.9	-24.2	-176	-57.8	-28.7	0	0	0	113.6	S415 P450 F452 P453 G454 Q460	S415-F417 PolarHBondContact O-N 2.95Å; S415-F417 VanDerWaalsContact O-N 3.13Å; F417-P450 HydrophobicContact CB-CB 4.24Å; F417-P450 HydrophobicContact CD2-CB 3.91Å; F417-P450 HydrophobicContact CD2-CG 3.75Å; F417-P450 HydrophobicContact CE2-CB 4.49Å; F417-P450 HydrophobicContact CE2-CG 4.02Å; F417-P450 HydrophobicContact CG-CB 4.14Å; F417-P450 HydrophobicContact CG-CG 4.47Å; F417-F452 WeakPolarHBondContact CD1-O 3.16Å; F417-P453 HydrophobicContact CE1-CB 4.45Å; F417-G454 WeakPolarHBondContact CE1-O 3.3Å; F417-Q460 PolarHBondContact O-NE2 3.23Å
418	Y	98.9	Very high	96	Very high	6 Å²	6	43.4 Å²	43.4	2%	0.024	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-107.3	6.5	-176.8	-37	-74.9	0	0	0	112.2	K380 P381 Q414 S415 R416 S437 C440 I441 E444	K380-Y418 HydrophobicContact CB-CD2 3.51Å; K380-Y418 HydrophobicContact CB-CE2 3.47Å; K380-Y418 VanDerWaalsContact CB-CE2 3.47Å; K380-Y418 HydrophobicContact CB-CG 4.24Å; P381-Y418 WeakPolarHBondContact CD-OH 3.34Å; P381-Y418 HydrophobicContact CG-CE1 4.06Å; Q414-Y418 PolarHBondContact NE2-O 3.01Å; S415-Y418 PolarHBondContact O-N 2.96Å; R416-Y418 PolarHBondContact O-N 3.11Å; Y418-S437 WeakPolarHBondContact O-CA 3.35Å; Y418-S437 PolarHBondContact O-OG 3.3Å; Y418-C440 HydrophobicContact CD1-CB 3.94Å; Y418-I441 HydrophobicContact CD1-CG1 4.06Å; Y418-I441 HydrophobicContact CE1-CG1 4.32Å; Y418-E444 WeakPolarHBondContact CE1-OE2 3.13Å; Y418-E444 PolarHBondContact OH-OE2 2.86Å
419	R	98.8	Very high	96.3	Very high	6 Å²	6	40.7 Å²	40.7	2%	0.023	20%	0.2	C	C	.	.			trans	-75.5	134.1	-177.3	-176.5	179.6	-66.2	158.1	1.5	111.8	Y412 I413 Q414 S415 R416 V423 I424 W436	Y412-R419 PolarHBondContact OH-NH1 2.72Å; Y412-R419 PolarHBondContact OH-NH2 3.2Å; I413-R419 PolarHBondContact O-NE 3.15Å; I413-R419 PolarHBondContact O-NH2 3.34Å; Q414-R419 HydrophobicContact CB-CB 3.95Å; Q414-R419 HydrophobicContact CB-CG 4.16Å; Q414-R419 PolarHBondContact O-NE 3.34Å; Q414-R419 PolarHBondContact O-NH2 2.76Å; S415-R419 PolarHBondContact O-N 2.88Å; R416-R419 VanDerWaalsContact O-CB 3.3Å; R416-R419 WeakPolarHBondContact O-CB 3.17Å; R416-R419 PolarHBondContact O-N 3.3Å; R416-R419 VanDerWaalsContact O-N 3.17Å; R419-V423 HydrophobicContact CG-CB 3.96Å; R419-V423 HydrophobicContact CG-CG1 3.98Å; R419-I424 HydrophobicContact CG-CD1 4.48Å; R419-I424 HydrophobicContact CG-CG1 3.96Å; R419-W436 PolarHBondContact O-NE1 3.48Å
420	A	98.8	Very high	96.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.			trans	-76.9	148.8	-179.7	0	0	0	0	0	112.3	E422 V423 I424 I433 W436	A420-E422 VanDerWaalsContact C-N 3.34Å; A420-E422 VanDerWaalsContact CB-OE2 3.25Å; A420-E422 WeakPolarHBondContact CB-OE2 3.41Å; A420-E422 PolarHBondContact O-N 2.75Å; A420-V423 HydrophobicContact CB-CG2 4.44Å; A420-V423 WeakPolarHBondContact O-CB 3.44Å; A420-V423 PolarHBondContact O-N 2.92Å; A420-V423 VanDerWaalsContact O-N 3.15Å; A420-I424 PolarHBondContact O-N 3.18Å; A420-I433 HydrophobicContact CB-CB 3.88Å; A420-I433 HydrophobicContact CB-CG2 3.84Å; A420-W436 VanDerWaalsContact CA-CD1 3.49Å; A420-W436 HydrophobicContact CB-CB 3.93Å; A420-W436 HydrophobicContact CB-CD2 4.4Å; A420-W436 HydrophobicContact CB-CG 3.81Å
421	P	98.5	Very high	97.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-35	-172.4	24.2	-34.2	0	0	0	113.4	V423 I424 L425 W436 W548	P421-V423 PolarHBondContact O-N 3.29Å; P421-I424 PolarHBondContact O-N 3Å; P421-L425 HydrophobicContact CB-CD1 4.5Å; P421-L425 WeakPolarHBondContact O-CB 3.39Å; P421-L425 WeakPolarHBondContact O-CG 3.43Å; P421-L425 PolarHBondContact O-N 2.81Å; P421-W436 HydrophobicContact CG-CE3 4.26Å; P421-W436 HydrophobicContact CG-CH2 4.07Å; P421-W436 HydrophobicContact CG-CZ3 3.93Å; P421-W548 HydrophobicContact CB-CE3 3.7Å; P421-W548 HydrophobicContact CB-CZ3 3.51Å; P421-W548 HydrophobicContact CG-CE3 3.88Å; P421-W548 HydrophobicContact CG-CZ3 4.17Å
422	E	98.1	Very high	97.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-30.6	177.1	68	-87.9	-140.3	0	0	112.8	A420 G426 C427 I433 P550 R553	A420-E422 VanDerWaalsContact C-N 3.34Å; A420-E422 VanDerWaalsContact CB-OE2 3.25Å; A420-E422 WeakPolarHBondContact CB-OE2 3.41Å; A420-E422 PolarHBondContact O-N 2.75Å; E422-G426 PolarHBondContact O-N 2.94Å; E422-C427 HydrophobicContact CB-CB 3.75Å; E422-C427 PolarHBondContact O-N 2.71Å; E422-I433 HydrophobicContact CG-CG2 4.32Å; E422-I433 WeakPolarHBondContact OE1-CG2 3.37Å; E422-P550 HydrophobicContact CB-CG 4.22Å; E422-P550 HydrophobicContact CG-CG 4.11Å; E422-R553 IonicContact OE1-CZ 2.86Å; E422-R553 IonicContact OE1-NH1 3.23Å; E422-R553 PolarHBondContact OE1-NH1 3.43Å; E422-R553 IonicContact OE1-NH2 3.11Å; E422-R553 PolarHBondContact OE1-NH2 3.24Å; E422-R553 IonicContact OE2-CZ 2.66Å; E422-R553 IonicContact OE2-NH1 3.17Å; E422-R553 PolarHBondContact OE2-NH1 3.39Å; E422-R553 IonicContact OE2-NH2 3.14Å; E422-R553 PolarHBondContact OE2-NH2 2.81Å
423	V	98.2	Very high	97.7	Very high	8 Å²	8	21.7 Å²	21.7	5%	0.048	11%	0.112	C	C	.	.	H	α-helix	trans	-71.2	-43	175.9	-179.9	0	0	0	0	110.1	T411 I413 R419 A420 P421 G426 Y429 I433	T411-V423 WeakPolarHBondContact O-CG1 3.49Å; I413-V423 HydrophobicContact CD1-CG2 4.27Å; I413-V423 HydrophobicContact CG1-CG1 3.67Å; I413-V423 HydrophobicContact CG1-CG2 4.13Å; R419-V423 HydrophobicContact CG-CB 3.96Å; R419-V423 HydrophobicContact CG-CG1 3.98Å; A420-V423 HydrophobicContact CB-CG2 4.44Å; A420-V423 WeakPolarHBondContact O-CB 3.44Å; A420-V423 PolarHBondContact O-N 2.92Å; A420-V423 VanDerWaalsContact O-N 3.15Å; P421-V423 PolarHBondContact O-N 3.29Å; V423-G426 PolarHBondContact O-N 3.17Å; V423-Y429 HydrophobicContact CG2-CG 4.48Å; V423-I433 HydrophobicContact CG2-CG2 3.99Å
424	I	98.4	Very high	97.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-64.1	-47.6	176.2	-58.8	171.1	0	0	0	110.2	R419 A420 P421 G426 E457 Q460 L461 I464 R481 F485	R419-I424 HydrophobicContact CG-CD1 4.48Å; R419-I424 HydrophobicContact CG-CG1 3.96Å; A420-I424 PolarHBondContact O-N 3.18Å; P421-I424 PolarHBondContact O-N 3Å; I424-G426 VanDerWaalsContact C-N 3.28Å; I424-G426 PolarHBondContact O-N 3.34Å; I424-E457 HydrophobicContact CG2-CB 4.34Å; I424-Q460 HydrophobicContact CD1-CB 4.15Å; I424-Q460 HydrophobicContact CD1-CG 3.74Å; I424-L461 HydrophobicContact CG2-CB 4.27Å; I424-I464 HydrophobicContact CD1-CD1 4.17Å; I424-R481 WeakPolarHBondContact O-CD 3.28Å; I424-R481 PolarHBondContact O-NH1 3.11Å; I424-F485 HydrophobicContact CG2-CE1 4.07Å; I424-F485 HydrophobicContact CG2-CE2 3.96Å; I424-F485 HydrophobicContact CG2-CZ 3.58Å; I424-F485 WeakPolarHBondContact O-CE2 3.38Å
425	L	97.9	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-76.4	-9.2	-176.7	-62.5	171.9	0	0	0	113.9	P421 L461 L476 C479 R480 R481 F485 F486	P421-L425 HydrophobicContact CB-CD1 4.5Å; P421-L425 WeakPolarHBondContact O-CB 3.39Å; P421-L425 WeakPolarHBondContact O-CG 3.43Å; P421-L425 PolarHBondContact O-N 2.81Å; L425-L461 HydrophobicContact CD2-CD1 4.37Å; L425-L461 HydrophobicContact CD2-CD2 3.72Å; L425-L461 HydrophobicContact CG-CD1 4.49Å; L425-L476 HydrophobicContact CD1-CD2 4.4Å; L425-C479 HydrophobicContact CB-CB 3.81Å; L425-C479 WeakPolarHBondContact CB-SG 3.45Å; L425-C479 CarbonylContact O-C 3.48Å; L425-C479 WeakPolarHBondContact O-CB 3.4Å; L425-R480 PolarHBondContact O-N 2.81Å; L425-R481 WeakPolarHBondContact O-CA 3.32Å; L425-R481 VanDerWaalsContact O-CB 3.29Å; L425-R481 WeakPolarHBondContact O-CB 3.23Å; L425-R481 PolarHBondContact O-N 3.21Å; L425-F485 HydrophobicContact CD2-CD2 3.9Å; L425-F485 HydrophobicContact CD2-CE2 4.46Å; L425-F486 HydrophobicContact CD2-CE2 3.84Å
426	G	96.6	Very high	98	Very high	18 Å²	18	19.3 Å²	19.3	19%	0.186	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	37	-179.4	0	0	0	0	0	113.8	E422 V423 I424 R480	E422-G426 PolarHBondContact O-N 2.94Å; V423-G426 PolarHBondContact O-N 3.17Å; I424-G426 VanDerWaalsContact C-N 3.28Å; I424-G426 PolarHBondContact O-N 3.34Å; G426-R480 WeakPolarHBondContact O-CB 3.36Å; G426-R480 WeakPolarHBondContact O-CG 3.31Å; G426-R480 PolarHBondContact O-N 3.25Å
427	C	94.6	Very high	98	Very high	18 Å²	18	16.8 Å²	16.8	12%	0.122	9%	0.087	C	C	.	.			trans	-79	173.3	163.7	-94.2	0	0	0	0	110.5	E422 L475 C479	E422-C427 HydrophobicContact CB-CB 3.75Å; E422-C427 PolarHBondContact O-N 2.71Å; C427-L475 PolarHBondContact SG-O 2.82Å; C427-C479 HydrophobicContact CB-CB 4.21Å; C427-C479 WeakPolarHBondContact CB-SG 3.41Å; C427-C479 WeakPolarHBondContact SG-CA 3.38Å; C427-C479 WeakPolarHBondContact SG-CB 3.27Å; C427-C479 PolarHBondContact SG-N 2.88Å; C427-C479 VanDerWaalsContact SG-N 3.39Å; C427-C479 CovalentContact SG-SG 2.04Å; C427-C479 PolarHBondContact SG-SG 3.02Å
428	K	94.5	Very high	98	Very high	168 Å²	168	15 Å²	15	73%	0.73	8%	0.079	S	C	*	.			trans	-69.7	128.2	168.2	-179.8	-176.8	174.5	-172.2	0	109.3
429	Y	96.8	Very high	98	Very high	22 Å²	22	14.7 Å²	14.7	9%	0.086	8%	0.078	C	C	.	.			trans	-105	165.7	176.6	75.4	-93.4	0	0	0	112.5	I375 R408 Y410 I413 V423 I433	I375-Y429 HydrophobicContact CD1-CD2 4.14Å; I375-Y429 HydrophobicContact CD1-CE2 3.94Å; R408-Y429 HydrophobicContact CB-CE1 4.25Å; R408-Y429 HydrophobicContact CB-CE2 4.44Å; R408-Y429 WeakPolarHBondContact CB-OH 3.35Å; R408-Y429 WeakPolarHBondContact CD-O 3.34Å; R408-Y429 HydrophobicContact CG-CD2 4.4Å; R408-Y429 HydrophobicContact CG-CE1 4.19Å; R408-Y429 HydrophobicContact CG-CE2 3.65Å; R408-Y429 WeakPolarHBondContact CG-OH 3.25Å; R408-Y429 PolarHBondContact NE-O 2.89Å; R408-Y429 PolarHBondContact NH1-O 2.96Å; Y410-Y429 WeakPolarHBondContact O-CE1 3.35Å; Y410-Y429 PolarHBondContact O-OH 2.94Å; I413-Y429 HydrophobicContact CD1-CD1 4.34Å; I413-Y429 HydrophobicContact CD1-CD2 3.83Å; I413-Y429 HydrophobicContact CD1-CE1 3.99Å; I413-Y429 HydrophobicContact CD1-CE2 3.42Å; I413-Y429 VanDerWaalsContact CD1-CE2 3.42Å; I413-Y429 HydrophobicContact CD1-CG 4.28Å; V423-Y429 HydrophobicContact CG2-CG 4.48Å; Y429-I433 HydrophobicContact CD2-CD1 3.9Å; Y429-I433 HydrophobicContact CD2-CG2 4.39Å; Y429-I433 HydrophobicContact CE2-CD1 4.25Å
430	G	97.7	Very high	98	Very high	8 Å²	8	14.4 Å²	14.4	8%	0.082	8%	0.077	C	C	.	.			trans	-160.8	-158.7	179.3	0	0	0	0	0	111.4	P432 I433	G430-P432 VanDerWaalsContact C-N 3.28Å; G430-P432 VanDerWaalsContact O-N 3.14Å; G430-I433 PolarHBondContact O-N 3.07Å
431	L	98.5	Very high	98	Very high	13 Å²	13	14.4 Å²	14.4	7%	0.068	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-32.7	177.6	-65	164.1	0	0	0	116	K373 I374 I375 E405 I433 D434	K373-L431 HydrophobicContact CD-CD1 3.75Å; I374-L431 WeakPolarHBondContact O-CD2 3.21Å; I375-L431 HydrophobicContact CG1-CD2 4Å; I375-L431 HydrophobicContact CG1-CG 4.39Å; E405-L431 WeakPolarHBondContact OE1-CG 3.1Å; E405-L431 PolarHBondContact OE1-N 2.96Å; E405-L431 VanDerWaalsContact OE1-N 3.15Å; L431-I433 PolarHBondContact O-N 3.04Å; L431-D434 PolarHBondContact O-N 2.89Å
432	P	98.7	Very high	98	Very high	35 Å²	35	14.4 Å²	14.4	23%	0.227	8%	0.077	C	C	.	.	H	α-helix	trans	-65.3	-6.3	-179.1	-25.2	36.1	0	0	0	116.7	G430 W436 P550 R553	G430-P432 VanDerWaalsContact C-N 3.28Å; G430-P432 VanDerWaalsContact O-N 3.14Å; P432-W436 PolarHBondContact O-N 3.36Å; P432-P550 HydrophobicContact CB-CB 4.03Å; P432-P550 WeakPolarHBondContact CB-O 3Å; P432-P550 HydrophobicContact CG-CB 4.18Å; P432-P550 WeakPolarHBondContact CG-O 3.39Å; P432-R553 HydrophobicContact CB-CB 4.36Å; P432-R553 WeakPolarHBondContact O-CD 3.29Å; P432-R553 PolarHBondContact O-NH1 3.34Å
433	I	98.8	Very high	98.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-70.4	-33.7	175.4	73	175.5	0	0	0	112.2	I375 I413 Q414 A420 E422 V423 Y429 G430 L431 W436 S437	I375-I433 HydrophobicContact CG2-CD1 3.58Å; I375-I433 HydrophobicContact CG2-CG1 3.59Å; I413-I433 HydrophobicContact CD1-CD1 3.45Å; I413-I433 VanDerWaalsContact CD1-CD1 3.45Å; Q414-I433 HydrophobicContact CG-CD1 4.18Å; Q414-I433 PolarHBondContact NE2-O 3.31Å; A420-I433 HydrophobicContact CB-CB 3.88Å; A420-I433 HydrophobicContact CB-CG2 3.84Å; E422-I433 HydrophobicContact CG-CG2 4.32Å; E422-I433 WeakPolarHBondContact OE1-CG2 3.37Å; V423-I433 HydrophobicContact CG2-CG2 3.99Å; Y429-I433 HydrophobicContact CD2-CD1 3.9Å; Y429-I433 HydrophobicContact CD2-CG2 4.39Å; Y429-I433 HydrophobicContact CE2-CD1 4.25Å; G430-I433 PolarHBondContact O-N 3.07Å; L431-I433 PolarHBondContact O-N 3.04Å; I433-W436 WeakPolarHBondContact O-CB 3.5Å; I433-W436 PolarHBondContact O-N 3.38Å; I433-S437 PolarHBondContact O-N 3.28Å; I433-S437 PolarHBondContact O-OG 3.31Å
434	D	98.9	Very high	98.1	Very high	6 Å²	6	14.2 Å²	14.2	3%	0.032	8%	0.075	C	C	.	.	H	α-helix	trans	-76.2	-30.7	-178.1	-60.1	-40.6	0	0	0	111	L366 I375 H376 C377 L431 W436 S437 F438	L366-D434 HydrophobicContact CD2-CB 4.09Å; I375-D434 WeakPolarHBondContact CA-OD2 3.2Å; I375-D434 WeakPolarHBondContact CG2-OD2 3.31Å; H376-D434 PolarHBondContact N-OD2 3.35Å; C377-D434 PolarHBondContact N-OD1 2.76Å; C377-D434 VanDerWaalsContact N-OD1 3.09Å; L431-D434 PolarHBondContact O-N 2.89Å; D434-W436 VanDerWaalsContact C-N 3.32Å; D434-S437 PolarHBondContact O-N 3.36Å; D434-F438 VanDerWaalsContact O-CB 3.23Å; D434-F438 WeakPolarHBondContact O-CB 3.48Å; D434-F438 PolarHBondContact O-N 3.28Å
435	M	98.9	Very high	98.1	Very high	5 Å²	5	14.1 Å²	14.1	3%	0.025	8%	0.075	C	C	.	.	H	α-helix	trans	-68.5	-30.2	171.2	-74.6	-58.8	-68.3	0	0	112.6	L363 L366 F438 G439 M554 P556 A559	L363-M435 HydrophobicContact CD2-CE 4.02Å; L363-M435 HydrophobicContact CD2-SD 4.01Å; L366-M435 HydrophobicContact CD1-SD 3.96Å; M435-F438 HydrophobicContact CE-CD1 3.8Å; M435-F438 HydrophobicContact CE-CE1 4.01Å; M435-F438 HydrophobicContact SD-CD1 4.03Å; M435-G439 PolarHBondContact O-N 3.16Å; M435-G439 VanDerWaalsContact O-N 3.07Å; M435-M554 WeakPolarHBondContact CE-O 3.35Å; M435-M554 WeakPolarHBondContact CG-O 3.5Å; M435-P556 HydrophobicContact CG-CG 4.21Å; M435-P556 HydrophobicContact SD-CB 4.4Å; M435-P556 HydrophobicContact SD-CG 3.76Å; M435-A559 HydrophobicContact CE-CB 4.11Å
436	W	98.9	Very high	98.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-67.1	-49.5	169	175.8	-80.3	0	0	0	111.4	R419 A420 P421 P432 I433 D434 F438 G439 C440 F452 I464 L468 L546	R419-W436 PolarHBondContact O-NE1 3.48Å; A420-W436 VanDerWaalsContact CA-CD1 3.49Å; A420-W436 HydrophobicContact CB-CB 3.93Å; A420-W436 HydrophobicContact CB-CD2 4.4Å; A420-W436 HydrophobicContact CB-CG 3.81Å; P421-W436 HydrophobicContact CG-CE3 4.26Å; P421-W436 HydrophobicContact CG-CH2 4.07Å; P421-W436 HydrophobicContact CG-CZ3 3.93Å; P432-W436 PolarHBondContact O-N 3.36Å; I433-W436 WeakPolarHBondContact O-CB 3.5Å; I433-W436 PolarHBondContact O-N 3.38Å; D434-W436 VanDerWaalsContact C-N 3.32Å; W436-F438 VanDerWaalsContact C-N 3.29Å; W436-F438 PolarHBondContact O-N 2.91Å; W436-G439 PolarHBondContact O-N 3.34Å; W436-G439 VanDerWaalsContact O-N 3.16Å; W436-C440 PolarHBondContact O-N 2.86Å; W436-C440 VanDerWaalsContact O-N 3.07Å; W436-C440 PolarHBondContact O-SG 2.91Å; W436-C440 VanDerWaalsContact O-SG 3.33Å; W436-F452 HydrophobicContact CH2-CE2 4.15Å; W436-F452 HydrophobicContact CH2-CZ 4.43Å; W436-F452 HydrophobicContact CZ2-CD2 4.14Å; W436-F452 AromaticContact CZ2-CE2 3.51Å; W436-F452 HydrophobicContact CZ2-CE2 3.51Å; W436-F452 HydrophobicContact CZ2-CZ 4.18Å; W436-I464 HydrophobicContact CH2-CD1 4.33Å; W436-I464 HydrophobicContact CH2-CG1 4.4Å; W436-I464 HydrophobicContact CH2-CG2 3.68Å; W436-I464 HydrophobicContact CZ2-CD1 3.69Å; W436-I464 HydrophobicContact CZ2-CG1 3.92Å; W436-I464 HydrophobicContact CZ2-CG2 4.07Å; W436-L468 HydrophobicContact CH2-CD1 3.64Å; W436-L468 HydrophobicContact CZ3-CD1 4.03Å; W436-L546 HydrophobicContact CD2-CD2 3.77Å; W436-L546 HydrophobicContact CE3-CB 4.34Å; W436-L546 HydrophobicContact CE3-CD2 3.89Å; W436-L546 HydrophobicContact CG-CD2 4.23Å; W436-L546 HydrophobicContact CH2-CB 4.47Å; W436-L546 HydrophobicContact CH2-CD2 4.41Å; W436-L546 HydrophobicContact CZ2-CD2 4.3Å; W436-L546 HydrophobicContact CZ3-CB 4.06Å; W436-L546 HydrophobicContact CZ3-CD2 4.21Å
437	S	98.9	Very high	98.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-56.9	-44.2	175.7	-57.7	0	0	0	0	111.7	L379 Q414 Y418 I433 D434 G439 C440 I441	L379-S437 WeakPolarHBondContact O-CB 3.32Å; Q414-S437 PolarHBondContact NE2-OG 2.89Å; Y418-S437 WeakPolarHBondContact O-CA 3.35Å; Y418-S437 PolarHBondContact O-OG 3.3Å; I433-S437 PolarHBondContact O-N 3.28Å; I433-S437 PolarHBondContact O-OG 3.31Å; D434-S437 PolarHBondContact O-N 3.36Å; S437-G439 PolarHBondContact O-N 3.09Å; S437-C440 WeakPolarHBondContact O-CB 3.24Å; S437-C440 PolarHBondContact O-N 2.96Å; S437-C440 VanDerWaalsContact O-N 3.14Å; S437-I441 WeakPolarHBondContact O-CD1 3.4Å; S437-I441 VanDerWaalsContact O-CG1 3.24Å; S437-I441 WeakPolarHBondContact O-CG1 3.46Å; S437-I441 PolarHBondContact O-N 3.43Å
438	F	98.9	Very high	98.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-56.9	-46.1	174.5	169.7	-109.8	0	0	0	112.7	A359 I362 L363 L366 L379 D434 M435 W436 C440 I441 L442 F541	A359-F438 HydrophobicContact CB-CE2 4.27Å; A359-F438 HydrophobicContact CB-CZ 4.1Å; I362-F438 HydrophobicContact CB-CD2 4.23Å; I362-F438 HydrophobicContact CB-CE2 4.08Å; I362-F438 HydrophobicContact CG2-CD2 3.71Å; I362-F438 HydrophobicContact CG2-CE2 4.05Å; L363-F438 HydrophobicContact CD1-CE1 4.27Å; L363-F438 HydrophobicContact CD1-CZ 3.73Å; L363-F438 HydrophobicContact CD2-CD1 4.36Å; L363-F438 HydrophobicContact CD2-CE1 3.74Å; L363-F438 HydrophobicContact CD2-CE2 4.32Å; L363-F438 HydrophobicContact CD2-CZ 3.72Å; L363-F438 HydrophobicContact CG-CE1 4.03Å; L363-F438 HydrophobicContact CG-CE2 3.96Å; L363-F438 HydrophobicContact CG-CZ 3.46Å; L363-F438 VanDerWaalsContact CG-CZ 3.46Å; L366-F438 HydrophobicContact CD1-CB 3.9Å; L366-F438 HydrophobicContact CD1-CD2 4.14Å; L366-F438 HydrophobicContact CD1-CG 4.02Å; L379-F438 HydrophobicContact CD2-CB 4.1Å; D434-F438 VanDerWaalsContact O-CB 3.23Å; D434-F438 WeakPolarHBondContact O-CB 3.48Å; D434-F438 PolarHBondContact O-N 3.28Å; M435-F438 HydrophobicContact CE-CD1 3.8Å; M435-F438 HydrophobicContact CE-CE1 4.01Å; M435-F438 HydrophobicContact SD-CD1 4.03Å; W436-F438 VanDerWaalsContact C-N 3.29Å; W436-F438 PolarHBondContact O-N 2.91Å; F438-C440 VanDerWaalsContact C-N 3.31Å; F438-C440 PolarHBondContact O-N 3.27Å; F438-I441 PolarHBondContact O-N 3.32Å; F438-L442 HydrophobicContact CD2-CD2 4.48Å; F438-L442 HydrophobicContact CD2-CG 4.37Å; F438-L442 HydrophobicContact CE1-CD1 4.06Å; F438-L442 HydrophobicContact CE2-CD1 4.05Å; F438-L442 HydrophobicContact CE2-CD2 4.01Å; F438-L442 HydrophobicContact CE2-CG 4.05Å; F438-L442 HydrophobicContact CZ-CD1 3.68Å; F438-L442 HydrophobicContact CZ-CD2 4.46Å; F438-L442 HydrophobicContact CZ-CG 4.18Å; F438-L442 WeakPolarHBondContact O-CG 3.1Å; F438-L442 PolarHBondContact O-N 3.12Å; F438-F541 AromaticContact CE1-CE1 3.6Å; F438-F541 HydrophobicContact CE1-CE1 3.6Å; F438-F541 AromaticContact CE1-CZ 3.69Å; F438-F541 HydrophobicContact CE1-CZ 3.69Å; F438-F541 HydrophobicContact CZ-CE1 4.03Å; F438-F541 HydrophobicContact CZ-CZ 4.02Å
439	G	98.9	Very high	98.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-58.1	-41.5	173.7	0	0	0	0	0	112.9	M435 W436 S437 A443	M435-G439 PolarHBondContact O-N 3.16Å; M435-G439 VanDerWaalsContact O-N 3.07Å; W436-G439 PolarHBondContact O-N 3.34Å; W436-G439 VanDerWaalsContact O-N 3.16Å; S437-G439 PolarHBondContact O-N 3.09Å; G439-A443 PolarHBondContact O-N 3.43Å
440	C	98.9	Very high	98.7	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.007	6%	0.058	C	C	.	.	H	α-helix	trans	-64.9	-42.9	175.4	-60.7	0	0	0	0	112.2	Y418 W436 S437 F438 A443 E444 I451	Y418-C440 HydrophobicContact CD1-CB 3.94Å; W436-C440 PolarHBondContact O-N 2.86Å; W436-C440 VanDerWaalsContact O-N 3.07Å; W436-C440 PolarHBondContact O-SG 2.91Å; W436-C440 VanDerWaalsContact O-SG 3.33Å; S437-C440 WeakPolarHBondContact O-CB 3.24Å; S437-C440 PolarHBondContact O-N 2.96Å; S437-C440 VanDerWaalsContact O-N 3.14Å; F438-C440 VanDerWaalsContact C-N 3.31Å; F438-C440 PolarHBondContact O-N 3.27Å; C440-A443 PolarHBondContact O-N 3.14Å; C440-E444 PolarHBondContact O-N 3.37Å; C440-I451 HydrophobicContact CB-CG2 4.01Å
441	I	98.9	Very high	98.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.9	-42.1	178.1	-67.9	161.1	0	0	0	111.3	L379 P381 I384 Y418 S437 F438 A443 E444 L445	L379-I441 HydrophobicContact CD2-CD1 3.91Å; L379-I441 HydrophobicContact CG-CD1 3.76Å; P381-I441 HydrophobicContact CG-CG1 4.17Å; P381-I441 HydrophobicContact CG-CG2 4.45Å; I384-I441 HydrophobicContact CD1-CD1 4.02Å; I384-I441 HydrophobicContact CD1-CG2 4.28Å; Y418-I441 HydrophobicContact CD1-CG1 4.06Å; Y418-I441 HydrophobicContact CE1-CG1 4.32Å; S437-I441 WeakPolarHBondContact O-CD1 3.4Å; S437-I441 VanDerWaalsContact O-CG1 3.24Å; S437-I441 WeakPolarHBondContact O-CG1 3.46Å; S437-I441 PolarHBondContact O-N 3.43Å; F438-I441 PolarHBondContact O-N 3.32Å; I441-A443 PolarHBondContact O-N 3.47Å; I441-E444 PolarHBondContact O-N 2.88Å; I441-L445 HydrophobicContact CG2-CD1 3.87Å; I441-L445 HydrophobicContact CG2-CG 4.25Å; I441-L445 WeakPolarHBondContact O-CB 3.28Å; I441-L445 VanDerWaalsContact O-CG 3.28Å; I441-L445 WeakPolarHBondContact O-CG 3.35Å; I441-L445 PolarHBondContact O-N 3.14Å
442	L	98.9	Very high	98.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-66.7	-36.8	178	-64.8	-164.4	0	0	0	112.8	V355 A359 F438 E444 L445 L446 F538 F541 I542 W564	V355-L442 HydrophobicContact CG1-CB 4.31Å; V355-L442 HydrophobicContact CG1-CD2 4.18Å; A359-L442 HydrophobicContact CB-CD1 3.68Å; A359-L442 HydrophobicContact CB-CD2 3.68Å; A359-L442 HydrophobicContact CB-CG 4.34Å; F438-L442 HydrophobicContact CD2-CD2 4.48Å; F438-L442 HydrophobicContact CD2-CG 4.37Å; F438-L442 HydrophobicContact CE1-CD1 4.06Å; F438-L442 HydrophobicContact CE2-CD1 4.05Å; F438-L442 HydrophobicContact CE2-CD2 4.01Å; F438-L442 HydrophobicContact CE2-CG 4.05Å; F438-L442 HydrophobicContact CZ-CD1 3.68Å; F438-L442 HydrophobicContact CZ-CD2 4.46Å; F438-L442 HydrophobicContact CZ-CG 4.18Å; F438-L442 WeakPolarHBondContact O-CG 3.1Å; F438-L442 PolarHBondContact O-N 3.12Å; L442-E444 VanDerWaalsContact C-N 3.35Å; L442-L445 HydrophobicContact CD2-CD1 4.2Å; L442-L446 PolarHBondContact O-N 2.89Å; L442-F538 HydrophobicContact CB-CE2 4.39Å; L442-F538 HydrophobicContact CB-CZ 4.34Å; L442-F538 HydrophobicContact CD1-CE2 4.41Å; L442-F541 HydrophobicContact CD1-CD1 4.13Å; L442-F541 HydrophobicContact CD1-CE1 3.57Å; L442-I542 HydrophobicContact CB-CD1 3.83Å; L442-I542 HydrophobicContact CD1-CD1 4.47Å; L442-W564 HydrophobicContact CD1-CH2 4.06Å; L442-W564 HydrophobicContact CD1-CZ3 3.85Å
443	A	98.8	Very high	98.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.8	-40.8	173.9	0	0	0	0	0	111.9	G439 C440 I441 L446 T447 I451 L530	G439-A443 PolarHBondContact O-N 3.43Å; C440-A443 PolarHBondContact O-N 3.14Å; I441-A443 PolarHBondContact O-N 3.47Å; A443-L446 PolarHBondContact O-N 2.85Å; A443-T447 WeakPolarHBondContact O-CB 3.14Å; A443-T447 WeakPolarHBondContact O-CG2 3.44Å; A443-T447 PolarHBondContact O-N 3.01Å; A443-T447 PolarHBondContact O-OG1 3.42Å; A443-I451 HydrophobicContact CB-CB 3.85Å; A443-I451 HydrophobicContact CB-CD1 3.8Å; A443-I451 HydrophobicContact CB-CG1 4.35Å; A443-I451 HydrophobicContact CB-CG2 4.08Å; A443-L530 HydrophobicContact CB-CD2 3.52Å
444	E	98.8	Very high	98.6	Very high	3 Å²	3	7.9 Å²	7.9	1%	0.014	5%	0.053	C	C	.	.	H	α-helix	trans	-71.8	-38.2	176.7	178.2	160.4	-170.7	0	0	112.9	I342 Y418 C440 I441 L442 L446 T447 G448 A449 P450	I342-E444 HydrophobicContact CD1-CG 3.94Å; Y418-E444 WeakPolarHBondContact CE1-OE2 3.13Å; Y418-E444 PolarHBondContact OH-OE2 2.86Å; C440-E444 PolarHBondContact O-N 3.37Å; I441-E444 PolarHBondContact O-N 2.88Å; L442-E444 VanDerWaalsContact C-N 3.35Å; E444-L446 VanDerWaalsContact C-N 3.33Å; E444-L446 PolarHBondContact O-N 3.22Å; E444-T447 PolarHBondContact O-N 3.47Å; E444-G448 VanDerWaalsContact O-CA 3.26Å; E444-G448 WeakPolarHBondContact O-CA 3.23Å; E444-G448 PolarHBondContact O-N 3.38Å; E444-A449 WeakPolarHBondContact CA-O 3.36Å; E444-P450 WeakPolarHBondContact OE1-CD 3.38Å; E444-P450 WeakPolarHBondContact OE1-CG 3.39Å; E444-P450 WeakPolarHBondContact OE2-CA 3.45Å; E444-P450 WeakPolarHBondContact OE2-CG 3.37Å
445	L	98.7	Very high	98.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.1	-39.3	172.3	-73.7	171	0	0	0	112	L338 I342 G349 F350 V355 F358 I441 L442	L338-L445 HydrophobicContact CB-CD2 4.3Å; L338-L445 HydrophobicContact CD1-CD1 4.22Å; L338-L445 HydrophobicContact CD1-CD2 4.19Å; I342-L445 HydrophobicContact CD1-CD2 4.15Å; I342-L445 HydrophobicContact CG1-CD2 4.32Å; G349-L445 CarbonylContact C-O 3.52Å; F350-L445 WeakPolarHBondContact CB-O 3.17Å; F350-L445 HydrophobicContact CD2-CB 4.23Å; F350-L445 HydrophobicContact CD2-CD2 3.83Å; F350-L445 WeakPolarHBondContact CD2-O 3.15Å; F350-L445 HydrophobicContact CE2-CD2 3.7Å; F350-L445 PolarHBondContact N-O 2.86Å; V355-L445 HydrophobicContact CG1-CB 4.2Å; V355-L445 HydrophobicContact CG2-CB 4.26Å; F358-L445 HydrophobicContact CB-CD1 4.08Å; F358-L445 HydrophobicContact CD2-CD1 4.21Å; F358-L445 HydrophobicContact CD2-CD2 4.4Å; F358-L445 HydrophobicContact CG-CD1 4.48Å; I441-L445 HydrophobicContact CG2-CD1 3.87Å; I441-L445 HydrophobicContact CG2-CG 4.25Å; I441-L445 WeakPolarHBondContact O-CB 3.28Å; I441-L445 VanDerWaalsContact O-CG 3.28Å; I441-L445 WeakPolarHBondContact O-CG 3.35Å; I441-L445 PolarHBondContact O-N 3.14Å; L442-L445 HydrophobicContact CD2-CD1 4.2Å
446	L	98.6	Very high	98.5	Very high	27 Å²	27	10.7 Å²	10.7	14%	0.141	7%	0.067	C	C	.	.	H	α-helix	trans	-69	-44.8	176	178.2	62.8	0	0	0	112.2	G349 F350 L352 V355 L442 A443 E444 L530 C533 F538	G349-L446 WeakPolarHBondContact CA-O 3.3Å; F350-L446 PolarHBondContact N-O 2.59Å; L352-L446 HydrophobicContact CB-CD1 4.49Å; L352-L446 HydrophobicContact CD1-CD1 4.1Å; L352-L446 HydrophobicContact CD1-CD2 4.35Å; V355-L446 HydrophobicContact CG2-CB 4.22Å; V355-L446 HydrophobicContact CG2-CD1 4.44Å; L442-L446 PolarHBondContact O-N 2.89Å; A443-L446 PolarHBondContact O-N 2.85Å; E444-L446 VanDerWaalsContact C-N 3.33Å; E444-L446 PolarHBondContact O-N 3.22Å; L446-L530 HydrophobicContact CD2-CB 4.45Å; L446-C533 HydrophobicContact CD2-CB 3.87Å; L446-F538 HydrophobicContact CD2-CD1 3.99Å; L446-F538 HydrophobicContact CD2-CE1 3.41Å; L446-F538 VanDerWaalsContact CD2-CE1 3.41Å; L446-F538 HydrophobicContact CD2-CZ 4.23Å
447	T	98.4	Very high	98.4	Very high	6 Å²	6	13.2 Å²	13.2	4%	0.037	8%	0.079	C	C	.	.	H	α-helix	trans	-95.4	-20.4	-169.2	60.3	0	0	0	0	114.6	A443 E444 A449 L530 K531	A443-T447 WeakPolarHBondContact O-CB 3.14Å; A443-T447 WeakPolarHBondContact O-CG2 3.44Å; A443-T447 PolarHBondContact O-N 3.01Å; A443-T447 PolarHBondContact O-OG1 3.42Å; E444-T447 PolarHBondContact O-N 3.47Å; T447-A449 VanDerWaalsContact C-N 3.33Å; T447-A449 PolarHBondContact OG1-N 2.82Å; T447-A449 PolarHBondContact OG1-O 2.79Å; T447-L530 HydrophobicContact CG2-CB 4.45Å; T447-L530 HydrophobicContact CG2-CD2 4.1Å; T447-K531 HydrophobicContact CG2-CB 4.31Å; T447-K531 HydrophobicContact CG2-CD 4.41Å; T447-K531 HydrophobicContact CG2-CG 4.03Å; T447-K531 WeakPolarHBondContact O-CE 3.43Å; T447-K531 PolarHBondContact O-NZ 3.19Å
448	G	98.4	Very high	98.3	Very high	2 Å²	2	14.4 Å²	14.4	2%	0.021	9%	0.091	C	C	.	.	S	Bend	trans	74	16.6	-168.5	0	0	0	0	0	114.7	F347 E444	F347-G448 WeakPolarHBondContact CB-O 3.4Å; F347-G448 WeakPolarHBondContact CD1-O 3.48Å; E444-G448 VanDerWaalsContact O-CA 3.26Å; E444-G448 WeakPolarHBondContact O-CA 3.23Å; E444-G448 PolarHBondContact O-N 3.38Å
449	A	98	Very high	98.3	Very high	43 Å²	43	15 Å²	15	36%	0.355	9%	0.094	S	C	.	.	S	Bend	trans	-149.1	147.7	176.5	0	0	0	0	0	112.6	E444 T447 I451	E444-A449 WeakPolarHBondContact CA-O 3.36Å; T447-A449 VanDerWaalsContact C-N 3.33Å; T447-A449 PolarHBondContact OG1-N 2.82Å; T447-A449 PolarHBondContact OG1-O 2.79Å; A449-I451 PolarHBondContact O-N 3.03Å
450	P	98.6	Very high	98.3	Very high	32 Å²	32	15 Å²	15	21%	0.208	9%	0.094	C	C	.	.			trans	-59	131.1	176.4	-22.2	30	0	0	0	112.4	F417 E444 F452 P453	F417-P450 HydrophobicContact CB-CB 4.24Å; F417-P450 HydrophobicContact CD2-CB 3.91Å; F417-P450 HydrophobicContact CD2-CG 3.75Å; F417-P450 HydrophobicContact CE2-CB 4.49Å; F417-P450 HydrophobicContact CE2-CG 4.02Å; F417-P450 HydrophobicContact CG-CB 4.14Å; F417-P450 HydrophobicContact CG-CG 4.47Å; E444-P450 WeakPolarHBondContact OE1-CD 3.38Å; E444-P450 WeakPolarHBondContact OE1-CG 3.39Å; E444-P450 WeakPolarHBondContact OE2-CA 3.45Å; E444-P450 WeakPolarHBondContact OE2-CG 3.37Å; P450-F452 VanDerWaalsContact C-N 3.32Å; P450-F452 PolarHBondContact O-N 3.28Å; P450-P453 HydrophobicContact CB-CB 4.43Å
451	I	98.6	Very high	98.3	Very high	6 Å²	6	15.1 Å²	15.1	3%	0.031	10%	0.095	C	C	.	.	S	Bend	trans	-64.8	-35.4	179.9	-172.6	169.3	0	0	0	112.7	C440 A443 A449 P453 L467 L526 A529 L546	C440-I451 HydrophobicContact CB-CG2 4.01Å; A443-I451 HydrophobicContact CB-CB 3.85Å; A443-I451 HydrophobicContact CB-CD1 3.8Å; A443-I451 HydrophobicContact CB-CG1 4.35Å; A443-I451 HydrophobicContact CB-CG2 4.08Å; A449-I451 PolarHBondContact O-N 3.03Å; I451-P453 WeakPolarHBondContact O-CD 3.5Å; I451-L467 HydrophobicContact CD1-CD2 3.79Å; I451-L467 HydrophobicContact CG1-CD2 4.13Å; I451-L526 HydrophobicContact CD1-CD1 4.13Å; I451-A529 HydrophobicContact CG1-CB 4.37Å; I451-L546 HydrophobicContact CD1-CD1 4.14Å
452	F	98.6	Very high	98.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-121.2	80.1	178.5	-56.6	-53.4	0	0	0	111.3	F417 W436 P450 G454 Q460 C463 I464 L467 L468 L546	F417-F452 WeakPolarHBondContact CD1-O 3.16Å; W436-F452 HydrophobicContact CH2-CE2 4.15Å; W436-F452 HydrophobicContact CH2-CZ 4.43Å; W436-F452 HydrophobicContact CZ2-CD2 4.14Å; W436-F452 AromaticContact CZ2-CE2 3.51Å; W436-F452 HydrophobicContact CZ2-CE2 3.51Å; W436-F452 HydrophobicContact CZ2-CZ 4.18Å; P450-F452 VanDerWaalsContact C-N 3.32Å; P450-F452 PolarHBondContact O-N 3.28Å; F452-G454 PolarHBondContact O-N 2.97Å; F452-G454 VanDerWaalsContact O-N 3.1Å; F452-Q460 PolarHBondContact O-NE2 2.77Å; F452-Q460 VanDerWaalsContact O-NE2 3.14Å; F452-Q460 PolarHBondContact O-OE1 3.29Å; F452-C463 HydrophobicContact CB-CB 4.03Å; F452-C463 HydrophobicContact CD1-CB 4.02Å; F452-C463 WeakPolarHBondContact CD1-O 3.26Å; F452-C463 HydrophobicContact CG-CB 4.46Å; F452-I464 HydrophobicContact CD1-CG1 4.02Å; F452-I464 HydrophobicContact CD2-CG1 4.03Å; F452-I464 HydrophobicContact CE1-CB 4.37Å; F452-I464 HydrophobicContact CE1-CG1 4.07Å; F452-I464 HydrophobicContact CE2-CG1 4.11Å; F452-I464 HydrophobicContact CG-CG1 3.99Å; F452-I464 HydrophobicContact CZ-CG1 4.12Å; F452-L467 HydrophobicContact CE1-CB 3.9Å; F452-L467 HydrophobicContact CE1-CD2 3.44Å; F452-L467 VanDerWaalsContact CE1-CD2 3.44Å; F452-L467 HydrophobicContact CE1-CG 4.3Å; F452-L467 HydrophobicContact CZ-CD2 3.68Å; F452-L468 HydrophobicContact CZ-CD1 4.48Å; F452-L546 HydrophobicContact CE2-CD1 4.08Å; F452-L546 HydrophobicContact CE2-CD2 4.32Å; F452-L546 HydrophobicContact CZ-CD1 4.14Å
453	P	98	Very high	98.2	Very high	33 Å²	33	15.2 Å²	15.2	21%	0.214	10%	0.096	C	C	.	.			trans	-87.6	71.6	-175.8	35	-34.7	0	0	0	111.7	F417 P450 I451 R518	F417-P453 HydrophobicContact CE1-CB 4.45Å; P450-P453 HydrophobicContact CB-CB 4.43Å; I451-P453 WeakPolarHBondContact O-CD 3.5Å; P453-R518 PolarHBondContact O-NH2 3.39Å
454	G	98.1	Very high	98.2	Very high	2 Å²	2	15.2 Å²	15.2	2%	0.021	10%	0.096	C	C	.	.			trans	-81.1	136	-178.8	0	0	0	0	0	115.2	R416 F417 F452 D459 Q460	R416-G454 WeakPolarHBondContact CD-O 3.42Å; R416-G454 PolarHBondContact NH1-O 3.18Å; R416-G454 VanDerWaalsContact NH1-O 3.13Å; F417-G454 WeakPolarHBondContact CE1-O 3.3Å; F452-G454 PolarHBondContact O-N 2.97Å; F452-G454 VanDerWaalsContact O-N 3.1Å; G454-D459 WeakPolarHBondContact CA-OD2 3.37Å; G454-Q460 VanDerWaalsContact CA-OE1 3.3Å; G454-Q460 VanDerWaalsContact N-OE1 3.11Å
455	E	97.4	Very high	98.2	Very high	23 Å²	23	15.2 Å²	15.2	11%	0.107	10%	0.095	C	C	.	.	S	Bend	trans	-74.8	-37.3	179.9	-70.9	167.8	-155.6	0	0	112.8	R416 D459 T512 K513 R514 K516	R416-E455 PolarHBondContact NH1-O 3.41Å; R416-E455 PolarHBondContact NH2-O 3.36Å; E455-D459 HydrophobicContact CB-CB 4.33Å; E455-D459 PolarHBondContact N-OD2 3.01Å; E455-T512 WeakPolarHBondContact OE1-CB 3.43Å; E455-T512 PolarHBondContact OE1-OG1 3.29Å; E455-T512 WeakPolarHBondContact OE2-CB 3.48Å; E455-T512 PolarHBondContact OE2-OG1 3.32Å; E455-K513 PolarHBondContact OE2-N 3.05Å; E455-R514 HydrophobicContact CG-CG 4.48Å; E455-R514 WeakPolarHBondContact OE1-CB 3.45Å; E455-R514 WeakPolarHBondContact OE2-CG 3.32Å; E455-R514 PolarHBondContact OE2-N 3.28Å; E455-K516 WeakPolarHBondContact OE1-CD 3.43Å; E455-K516 IonicContact OE1-NZ 3.21Å
456	D	97.3	Very high	98.2	Very high	47 Å²	47	16 Å²	16	25%	0.251	10%	0.099	S	C	.	.	S	Bend	trans	-141.3	-172.9	171.2	62.6	44.8	0	0	0	110.4	G458 D459 Q460 K513	D456-G458 VanDerWaalsContact C-N 3.35Å; D456-G458 PolarHBondContact O-N 3.12Å; D456-G458 WeakPolarHBondContact OD1-CA 3.43Å; D456-G458 PolarHBondContact OD1-N 3.44Å; D456-D459 PolarHBondContact OD1-N 3.12Å; D456-Q460 VanDerWaalsContact O-CB 3.25Å; D456-Q460 WeakPolarHBondContact O-CB 3.46Å; D456-Q460 PolarHBondContact O-N 2.91Å; D456-K513 IonicContact OD2-NZ 3.26Å; D456-K513 PolarHBondContact OD2-NZ 2.85Å
457	E	97.2	Very high	98.2	Very high	52 Å²	52	15.4 Å²	15.4	24%	0.243	10%	0.096	C	C	.	.	H	α-helix	trans	-69.1	-27.6	-177.7	62.1	176.2	176.7	0	0	114.6	I424 L461 R481 F485	I424-E457 HydrophobicContact CG2-CB 4.34Å; E457-L461 PolarHBondContact O-N 3.15Å; E457-R481 VanDerWaalsContact CD-NH2 3.35Å; E457-R481 IonicContact OE1-CZ 3.71Å; E457-R481 IonicContact OE1-NH1 3.24Å; E457-R481 IonicContact OE1-NH2 3.64Å; E457-R481 PolarHBondContact OE1-NH2 2.85Å; E457-R481 IonicContact OE2-CZ 2.72Å; E457-R481 IonicContact OE2-NH1 3.96Å; E457-R481 PolarHBondContact OE2-NH1 3.37Å; E457-R481 IonicContact OE2-NH2 3.56Å; E457-R481 PolarHBondContact OE2-NH2 3.07Å; E457-F485 HydrophobicContact CG-CE1 4.32Å; E457-F485 HydrophobicContact CG-CZ 4.35Å
458	G	97.4	Very high	98.2	Very high	25 Å²	25	17.5 Å²	17.5	26%	0.258	11%	0.107	S	C	.	.	H	α-helix	trans	-75.4	-42.8	175.3	0	0	0	0	0	111.2	D456 Q460 L461 A462	D456-G458 VanDerWaalsContact C-N 3.35Å; D456-G458 PolarHBondContact O-N 3.12Å; D456-G458 WeakPolarHBondContact OD1-CA 3.43Å; D456-G458 PolarHBondContact OD1-N 3.44Å; G458-Q460 VanDerWaalsContact C-N 3.34Å; G458-L461 PolarHBondContact O-N 3.21Å; G458-A462 PolarHBondContact O-N 3.09Å
459	D	98.3	Very high	98.2	Very high	14 Å²	14	18.1 Å²	18.1	8%	0.075	11%	0.113	C	C	.	.	H	α-helix	trans	-68.2	-32.9	173.8	-172.8	47	0	0	0	112.6	G454 E455 D456 L461 A462 C463 T512 R518	G454-D459 WeakPolarHBondContact CA-OD2 3.37Å; E455-D459 HydrophobicContact CB-CB 4.33Å; E455-D459 PolarHBondContact N-OD2 3.01Å; D456-D459 PolarHBondContact OD1-N 3.12Å; D459-L461 VanDerWaalsContact C-N 3.35Å; D459-A462 WeakPolarHBondContact O-CB 3.4Å; D459-A462 PolarHBondContact O-N 3.15Å; D459-C463 PolarHBondContact O-N 2.9Å; D459-C463 PolarHBondContact O-SG 3.36Å; D459-T512 WeakPolarHBondContact OD1-CG2 3.38Å; D459-R518 IonicContact OD1-CZ 3.57Å; D459-R518 IonicContact OD1-NE 3.07Å; D459-R518 PolarHBondContact OD1-NE 3.19Å; D459-R518 IonicContact OD1-NH2 3.94Å; D459-R518 PolarHBondContact OD1-NH2 3.06Å; D459-R518 IonicContact OD2-CZ 2.88Å; D459-R518 IonicContact OD2-NE 3.67Å; D459-R518 IonicContact OD2-NH2 2.94Å; D459-R518 PolarHBondContact OD2-NH2 3.36Å
460	Q	98.6	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-45.1	171	-172.8	65.7	26.9	0	0	111	R416 F417 I424 F452 G454 D456 G458 C463 I464	R416-Q460 HydrophobicContact CG-CB 4.07Å; R416-Q460 HydrophobicContact CG-CG 4.04Å; R416-Q460 PolarHBondContact O-NE2 3.28Å; F417-Q460 PolarHBondContact O-NE2 3.23Å; I424-Q460 HydrophobicContact CD1-CB 4.15Å; I424-Q460 HydrophobicContact CD1-CG 3.74Å; F452-Q460 PolarHBondContact O-NE2 2.77Å; F452-Q460 VanDerWaalsContact O-NE2 3.14Å; F452-Q460 PolarHBondContact O-OE1 3.29Å; G454-Q460 VanDerWaalsContact CA-OE1 3.3Å; G454-Q460 VanDerWaalsContact N-OE1 3.11Å; D456-Q460 VanDerWaalsContact O-CB 3.25Å; D456-Q460 WeakPolarHBondContact O-CB 3.46Å; D456-Q460 PolarHBondContact O-N 2.91Å; G458-Q460 VanDerWaalsContact C-N 3.34Å; Q460-C463 WeakPolarHBondContact O-CB 3.43Å; Q460-C463 PolarHBondContact O-N 2.87Å; Q460-I464 VanDerWaalsContact O-CG1 3.32Å; Q460-I464 WeakPolarHBondContact O-CG1 3.19Å; Q460-I464 PolarHBondContact O-N 3.02Å
461	L	98.5	Very high	98.1	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.016	11%	0.106	C	C	.	.	H	α-helix	trans	-68.1	-35.6	175.9	-171.2	67.5	0	0	0	112.1	I424 L425 E457 G458 D459 I464 I465 F485 F486 W548	I424-L461 HydrophobicContact CG2-CB 4.27Å; L425-L461 HydrophobicContact CD2-CD1 4.37Å; L425-L461 HydrophobicContact CD2-CD2 3.72Å; L425-L461 HydrophobicContact CG-CD1 4.49Å; E457-L461 PolarHBondContact O-N 3.15Å; G458-L461 PolarHBondContact O-N 3.21Å; D459-L461 VanDerWaalsContact C-N 3.35Å; L461-I464 PolarHBondContact O-N 3.02Å; L461-I464 VanDerWaalsContact O-N 3.12Å; L461-I465 HydrophobicContact CD2-CD1 4.37Å; L461-I465 HydrophobicContact CG-CD1 3.94Å; L461-I465 HydrophobicContact CG-CG1 4.42Å; L461-I465 WeakPolarHBondContact O-CG1 3.37Å; L461-I465 PolarHBondContact O-N 2.8Å; L461-F485 HydrophobicContact CD2-CB 3.58Å; L461-F485 HydrophobicContact CD2-CD1 3.87Å; L461-F485 HydrophobicContact CD2-CD2 4.06Å; L461-F485 HydrophobicContact CD2-CG 3.56Å; L461-F486 HydrophobicContact CD2-CE2 4.1Å; L461-F486 HydrophobicContact CD2-CZ 4.33Å; L461-W548 HydrophobicContact CD1-CH2 3.98Å; L461-W548 HydrophobicContact CD1-CZ3 4Å
462	A	98.5	Very high	98.1	Very high	2 Å²	2	20.6 Å²	20.6	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-60.5	-44.4	173.7	0	0	0	0	0	112.1	G458 D459 I464 I465 E466 Y495 R518	G458-A462 PolarHBondContact O-N 3.09Å; D459-A462 WeakPolarHBondContact O-CB 3.4Å; D459-A462 PolarHBondContact O-N 3.15Å; A462-I464 PolarHBondContact O-N 2.72Å; A462-I465 PolarHBondContact O-N 2.75Å; A462-E466 VanDerWaalsContact O-CB 3.31Å; A462-E466 WeakPolarHBondContact O-CB 3.37Å; A462-E466 PolarHBondContact O-N 3.46Å; A462-Y495 HydrophobicContact CB-CD1 3.7Å; A462-Y495 HydrophobicContact CB-CD2 3.7Å; A462-Y495 HydrophobicContact CB-CE1 3.95Å; A462-Y495 HydrophobicContact CB-CE2 3.94Å; A462-Y495 HydrophobicContact CB-CG 3.59Å; A462-R518 HydrophobicContact CB-CG 4.36Å
463	C	98.6	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.8	-36.3	171.8	-74.2	0	0	0	0	113.1	F452 D459 Q460 R518	F452-C463 HydrophobicContact CB-CB 4.03Å; F452-C463 HydrophobicContact CD1-CB 4.02Å; F452-C463 WeakPolarHBondContact CD1-O 3.26Å; F452-C463 HydrophobicContact CG-CB 4.46Å; D459-C463 PolarHBondContact O-N 2.9Å; D459-C463 PolarHBondContact O-SG 3.36Å; Q460-C463 WeakPolarHBondContact O-CB 3.43Å; Q460-C463 PolarHBondContact O-N 2.87Å; C463-R518 PolarHBondContact SG-NH1 3.3Å; C463-R518 PolarHBondContact SG-NH2 2.74Å; C463-R518 VanDerWaalsContact SG-NH2 3.38Å
464	I	98.7	Very high	97.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-73.2	-45.5	179.3	-62.2	166.4	0	0	0	110.2	I424 W436 F452 Q460 L461 A462 L467 L468 W548	I424-I464 HydrophobicContact CD1-CD1 4.17Å; W436-I464 HydrophobicContact CH2-CD1 4.33Å; W436-I464 HydrophobicContact CH2-CG1 4.4Å; W436-I464 HydrophobicContact CH2-CG2 3.68Å; W436-I464 HydrophobicContact CZ2-CD1 3.69Å; W436-I464 HydrophobicContact CZ2-CG1 3.92Å; W436-I464 HydrophobicContact CZ2-CG2 4.07Å; F452-I464 HydrophobicContact CD1-CG1 4.02Å; F452-I464 HydrophobicContact CD2-CG1 4.03Å; F452-I464 HydrophobicContact CE1-CB 4.37Å; F452-I464 HydrophobicContact CE1-CG1 4.07Å; F452-I464 HydrophobicContact CE2-CG1 4.11Å; F452-I464 HydrophobicContact CG-CG1 3.99Å; F452-I464 HydrophobicContact CZ-CG1 4.12Å; Q460-I464 VanDerWaalsContact O-CG1 3.32Å; Q460-I464 WeakPolarHBondContact O-CG1 3.19Å; Q460-I464 PolarHBondContact O-N 3.02Å; L461-I464 PolarHBondContact O-N 3.02Å; L461-I464 VanDerWaalsContact O-N 3.12Å; A462-I464 PolarHBondContact O-N 2.72Å; I464-L467 PolarHBondContact O-N 3.1Å; I464-L468 HydrophobicContact CG2-CD1 3.72Å; I464-L468 HydrophobicContact CG2-CG 4.23Å; I464-L468 WeakPolarHBondContact O-CB 3.48Å; I464-L468 PolarHBondContact O-N 3.02Å; I464-W548 HydrophobicContact CB-CH2 4.22Å; I464-W548 HydrophobicContact CG2-CH2 3.45Å; I464-W548 VanDerWaalsContact CG2-CH2 3.45Å; I464-W548 HydrophobicContact CG2-CZ2 3.7Å; I464-W548 HydrophobicContact CG2-CZ3 3.93Å
465	I	98.6	Very high	97.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-40.2	179.3	-67.3	171.3	0	0	0	111.7	L461 A462 L467 G469 M470 F486 P493 Y495 P521 G522 W548	L461-I465 HydrophobicContact CD2-CD1 4.37Å; L461-I465 HydrophobicContact CG-CD1 3.94Å; L461-I465 HydrophobicContact CG-CG1 4.42Å; L461-I465 WeakPolarHBondContact O-CG1 3.37Å; L461-I465 PolarHBondContact O-N 2.8Å; A462-I465 PolarHBondContact O-N 2.75Å; I465-L467 PolarHBondContact O-N 3.45Å; I465-G469 WeakPolarHBondContact CA-O 3.34Å; I465-G469 WeakPolarHBondContact O-CA 3.33Å; I465-G469 PolarHBondContact O-N 2.89Å; I465-M470 HydrophobicContact CG2-SD 4.39Å; I465-F486 HydrophobicContact CD1-CE1 3.94Å; I465-F486 HydrophobicContact CD1-CZ 3.8Å; I465-P493 HydrophobicContact CD1-CB 3.94Å; I465-P493 HydrophobicContact CG2-CG 4.39Å; I465-Y495 HydrophobicContact CB-CE1 4.14Å; I465-Y495 HydrophobicContact CD1-CE1 4.27Å; I465-Y495 HydrophobicContact CG2-CE1 3.98Å; I465-P521 HydrophobicContact CG2-CB 3.63Å; I465-P521 HydrophobicContact CG2-CG 3.63Å; I465-P521 CarbonylContact O-C 3.57Å; I465-P521 WeakPolarHBondContact O-CA 3.14Å; I465-G522 PolarHBondContact O-N 3.19Å; I465-W548 HydrophobicContact CG1-CH2 3.74Å; I465-W548 HydrophobicContact CG1-CZ2 3.91Å
466	E	98.5	Very high	97.6	Very high	17 Å²	17	31.8 Å²	31.8	8%	0.079	17%	0.167	C	C	.	.	H	α-helix	trans	-53.8	-35.7	173.8	178.9	-172	-100.8	0	0	112.5	A462 R518 G519 G522 S523 R524	A462-E466 VanDerWaalsContact O-CB 3.31Å; A462-E466 WeakPolarHBondContact O-CB 3.37Å; A462-E466 PolarHBondContact O-N 3.46Å; E466-R518 WeakPolarHBondContact OE1-CA 3.39Å; E466-G519 PolarHBondContact OE1-N 2.77Å; E466-G522 CarbonylContact O-C 3.44Å; E466-G522 VanDerWaalsContact O-C 3.25Å; E466-G522 VanDerWaalsContact O-CA 3.28Å; E466-G522 WeakPolarHBondContact O-CA 3.48Å; E466-G522 PolarHBondContact O-N 3.45Å; E466-S523 PolarHBondContact O-N 3.44Å; E466-S523 VanDerWaalsContact O-N 3.13Å; E466-R524 HydrophobicContact CG-CB 3.76Å; E466-R524 PolarHBondContact O-N 2.94Å; E466-R524 WeakPolarHBondContact OE2-CD 3.46Å; E466-R524 IonicContact OE2-NE 3.03Å; E466-R524 IonicContact OE2-NH1 2.73Å; E466-R524 PolarHBondContact OE2-NH1 2.87Å
467	L	98.5	Very high	97.5	Very high	15 Å²	15	35 Å²	35	8%	0.079	19%	0.185	C	C	.	.	H	α-helix	trans	-95.1	-40.6	-176.3	-168.2	76.8	0	0	0	113.9	I451 F452 I464 I465 R524 L526 A529	I451-L467 HydrophobicContact CD1-CD2 3.79Å; I451-L467 HydrophobicContact CG1-CD2 4.13Å; F452-L467 HydrophobicContact CE1-CB 3.9Å; F452-L467 HydrophobicContact CE1-CD2 3.44Å; F452-L467 VanDerWaalsContact CE1-CD2 3.44Å; F452-L467 HydrophobicContact CE1-CG 4.3Å; F452-L467 HydrophobicContact CZ-CD2 3.68Å; I464-L467 PolarHBondContact O-N 3.1Å; I465-L467 PolarHBondContact O-N 3.45Å; L467-R524 HydrophobicContact CD1-CB 4.44Å; L467-R524 HydrophobicContact CD1-CG 4.17Å; L467-L526 HydrophobicContact CD2-CD1 4.23Å; L467-A529 HydrophobicContact CD1-CB 3.49Å; L467-A529 VanDerWaalsContact CD1-CB 3.49Å
468	L	98.4	Very high	97.3	Very high	50 Å²	50	38.2 Å²	38.2	26%	0.262	20%	0.2	S	C	.	.	H	α-helix	trans	-106.6	2	-167.9	-55.7	-173.1	0	0	0	113.8	W436 F452 I464 L546 W548	W436-L468 HydrophobicContact CH2-CD1 3.64Å; W436-L468 HydrophobicContact CZ3-CD1 4.03Å; F452-L468 HydrophobicContact CZ-CD1 4.48Å; I464-L468 HydrophobicContact CG2-CD1 3.72Å; I464-L468 HydrophobicContact CG2-CG 4.23Å; I464-L468 WeakPolarHBondContact O-CB 3.48Å; I464-L468 PolarHBondContact O-N 3.02Å; L468-L546 HydrophobicContact CD1-CB 4.39Å; L468-L546 VanDerWaalsContact CD1-O 3.31Å; L468-L546 WeakPolarHBondContact CD1-O 3.46Å; L468-W548 HydrophobicContact CB-CZ2 4.25Å; L468-W548 PolarHBondContact O-NE1 3.2Å
469	G	98	Very high	97.3	Very high	15 Å²	15	37.6 Å²	37.6	16%	0.155	19%	0.192	C	C	.	.			trans	72.2	-161.9	-172.3	0	0	0	0	0	112.4	I465 W548	I465-G469 WeakPolarHBondContact CA-O 3.34Å; I465-G469 WeakPolarHBondContact O-CA 3.33Å; I465-G469 PolarHBondContact O-N 2.89Å; G469-W548 WeakPolarHBondContact O-CZ2 3.28Å
470	M	97.9	Very high	97.2	Very high	71 Å²	71	48 Å²	48	35%	0.35	23%	0.23	S	C	.	.	S	Bend	trans	-74.4	144	177.8	-71.8	-67.3	-72	0	0	111.7	I465 F486 P493 P521	I465-M470 HydrophobicContact CG2-SD 4.39Å; M470-F486 HydrophobicContact CE-CD1 3.97Å; M470-F486 HydrophobicContact CE-CE1 3.69Å; M470-F486 HydrophobicContact SD-CE1 4.23Å; M470-P493 HydrophobicContact SD-CG 3.85Å; M470-P521 HydrophobicContact CG-CB 4.04Å; M470-P521 HydrophobicContact CG-CG 4.24Å; M470-P521 HydrophobicContact SD-CB 4.29Å; M470-P521 HydrophobicContact SD-CG 3.96Å
471	P	97.6	Very high	97.1	Very high	8 Å²	8	51.8 Å²	51.8	5%	0.052	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-63.5	148.8	166.9	26.4	-33.3	0	0	0	111.2	L475 L476 F486 W548	P471-L475 HydrophobicContact CB-CD2 4.47Å; P471-L476 HydrophobicContact CB-CD2 4.28Å; P471-L476 HydrophobicContact CB-CG 4.42Å; P471-L476 HydrophobicContact CG-CD1 4.16Å; P471-L476 HydrophobicContact CG-CD2 3.69Å; P471-L476 HydrophobicContact CG-CG 4.02Å; P471-F486 HydrophobicContact CG-CE1 4.23Å; P471-F486 HydrophobicContact CG-CZ 3.73Å; P471-W548 HydrophobicContact CB-CD2 3.76Å; P471-W548 HydrophobicContact CB-CE3 3.7Å; P471-W548 HydrophobicContact CB-CG 4.27Å; P471-W548 HydrophobicContact CB-CH2 4.24Å; P471-W548 HydrophobicContact CB-CZ2 4.3Å; P471-W548 HydrophobicContact CB-CZ3 3.94Å; P471-W548 HydrophobicContact CG-CH2 4.33Å; P471-W548 HydrophobicContact CG-CZ3 4.36Å
472	P	97	Very high	97	Very high	54 Å²	54	53.1 Å²	53.1	35%	0.351	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-60.3	139.8	173.8	-22.5	33.4	0	0	0	112	K474 L475 L476 W548	P472-K474 VanDerWaalsContact C-N 3.29Å; P472-K474 PolarHBondContact O-N 3.42Å; P472-L475 WeakPolarHBondContact O-CB 3.49Å; P472-L475 PolarHBondContact O-N 3.45Å; P472-L476 PolarHBondContact O-N 2.71Å; P472-W548 HydrophobicContact CG-CB 4.44Å
473	Q	95.2	Very high	96.8	Very high	114 Å²	114	62.6 Å²	62.6	53%	0.533	29%	0.287	S	S	.	.	H	α-helix	trans	-55.3	-44.2	-179.3	-172.8	58.2	42.7	0	0	112.1	L475 L476 D477	Q473-L475 PolarHBondContact O-N 2.92Å; Q473-L476 WeakPolarHBondContact O-CA 3.48Å; Q473-L476 WeakPolarHBondContact O-CB 3.49Å; Q473-L476 PolarHBondContact O-N 2.98Å; Q473-D477 PolarHBondContact NE2-OD1 3.33Å; Q473-D477 PolarHBondContact O-N 2.81Å; Q473-D477 VanDerWaalsContact O-OD2 3.06Å
474	K	94.8	Very high	96.7	Very high	162 Å²	162	66.3 Å²	66.3	70%	0.704	31%	0.313	S	S	*	.	H	α-helix	trans	-53.1	-27.2	175.3	-178.1	178.2	176.8	-175.7	0	114.2	P472 D477 Q478	P472-K474 VanDerWaalsContact C-N 3.29Å; P472-K474 PolarHBondContact O-N 3.42Å; K474-D477 WeakPolarHBondContact CA-OD2 3.42Å; K474-Q478 PolarHBondContact O-NE2 3.24Å
475	L	95.4	Very high	96.7	Very high	8 Å²	8	67.3 Å²	67.3	4%	0.042	32%	0.318	C	S	.	.	H	α-helix	trans	-81	-42	173.7	178.1	62.8	0	0	0	111.1	C427 P471 P472 Q473 D477 Q478 C479 W548	C427-L475 PolarHBondContact SG-O 2.82Å; P471-L475 HydrophobicContact CB-CD2 4.47Å; P472-L475 WeakPolarHBondContact O-CB 3.49Å; P472-L475 PolarHBondContact O-N 3.45Å; Q473-L475 PolarHBondContact O-N 2.92Å; L475-D477 VanDerWaalsContact C-N 3.33Å; L475-D477 PolarHBondContact O-N 3.06Å; L475-Q478 PolarHBondContact O-N 3.43Å; L475-C479 PolarHBondContact O-SG 2.97Å; L475-C479 VanDerWaalsContact O-SG 3.32Å; L475-W548 HydrophobicContact CD2-CB 4.03Å; L475-W548 HydrophobicContact CD2-CE3 4.48Å
476	L	96.5	Very high	96.6	Very high	8 Å²	8	67.4 Å²	67.4	4%	0.042	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-42.4	175	-64.4	178.9	0	0	0	111.7	L425 P471 P472 Q473 Q478 C479 V482 F486	L425-L476 HydrophobicContact CD1-CD2 4.4Å; P471-L476 HydrophobicContact CB-CD2 4.28Å; P471-L476 HydrophobicContact CB-CG 4.42Å; P471-L476 HydrophobicContact CG-CD1 4.16Å; P471-L476 HydrophobicContact CG-CD2 3.69Å; P471-L476 HydrophobicContact CG-CG 4.02Å; P472-L476 PolarHBondContact O-N 2.71Å; Q473-L476 WeakPolarHBondContact O-CA 3.48Å; Q473-L476 WeakPolarHBondContact O-CB 3.49Å; Q473-L476 PolarHBondContact O-N 2.98Å; L476-Q478 PolarHBondContact O-N 2.99Å; L476-C479 PolarHBondContact O-N 3.3Å; L476-V482 HydrophobicContact CB-CG1 4.47Å; L476-V482 HydrophobicContact CB-CG2 4.04Å; L476-V482 HydrophobicContact CD2-CG1 4.31Å; L476-V482 HydrophobicContact CD2-CG2 3.87Å; L476-V482 VanDerWaalsContact O-CG2 3.29Å; L476-V482 WeakPolarHBondContact O-CG2 3.26Å; L476-F486 HydrophobicContact CD2-CD2 4.12Å; L476-F486 HydrophobicContact CD2-CE2 3.67Å; L476-F486 HydrophobicContact CD2-CZ 4.05Å
477	D	94.8	Very high	96.5	Very high	115 Å²	115	67.1 Å²	67.1	62%	0.615	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.1	-178.9	-56.9	-34.8	0	0	0	113.4	Q473 K474 L475	Q473-D477 PolarHBondContact NE2-OD1 3.33Å; Q473-D477 PolarHBondContact O-N 2.81Å; Q473-D477 VanDerWaalsContact O-OD2 3.06Å; K474-D477 WeakPolarHBondContact CA-OD2 3.42Å; L475-D477 VanDerWaalsContact C-N 3.33Å; L475-D477 PolarHBondContact O-N 3.06Å
478	Q	94.4	Very high	96.1	Very high	120 Å²	120	70.1 Å²	70.1	56%	0.561	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-9.1	179.7	-62.2	174.9	56.9	0	0	113.7	K474 L475 L476	K474-Q478 PolarHBondContact O-NE2 3.24Å; L475-Q478 PolarHBondContact O-N 3.43Å; L476-Q478 PolarHBondContact O-N 2.99Å
479	C	95.9	Very high	95.8	Very high	12 Å²	12	73.1 Å²	73.1	8%	0.081	37%	0.365	C	S	.	.			trans	-102.4	125.9	-166.2	-81.7	0	0	0	0	112.6	L425 C427 L475 L476 R481 V482	L425-C479 HydrophobicContact CB-CB 3.81Å; L425-C479 WeakPolarHBondContact CB-SG 3.45Å; L425-C479 CarbonylContact O-C 3.48Å; L425-C479 WeakPolarHBondContact O-CB 3.4Å; C427-C479 HydrophobicContact CB-CB 4.21Å; C427-C479 WeakPolarHBondContact CB-SG 3.41Å; C427-C479 WeakPolarHBondContact SG-CA 3.38Å; C427-C479 WeakPolarHBondContact SG-CB 3.27Å; C427-C479 PolarHBondContact SG-N 2.88Å; C427-C479 VanDerWaalsContact SG-N 3.39Å; C427-C479 CovalentContact SG-SG 2.04Å; C427-C479 PolarHBondContact SG-SG 3.02Å; L475-C479 PolarHBondContact O-SG 2.97Å; L475-C479 VanDerWaalsContact O-SG 3.32Å; L476-C479 PolarHBondContact O-N 3.3Å; C479-R481 VanDerWaalsContact C-N 3.32Å; C479-R481 PolarHBondContact O-N 2.63Å; C479-V482 HydrophobicContact CB-CG2 3.69Å; C479-V482 WeakPolarHBondContact O-CG2 3.49Å
480	R	95.9	Very high	95.5	Very high	233 Å²	233	77.3 Å²	77.3	88%	0.879	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-19	-170.9	-63	175	179.9	-173.2	-1.9	114.9	L425 G426	L425-R480 PolarHBondContact O-N 2.81Å; G426-R480 WeakPolarHBondContact O-CB 3.36Å; G426-R480 WeakPolarHBondContact O-CG 3.31Å; G426-R480 PolarHBondContact O-N 3.25Å
481	R	96.4	Very high	95.3	Very high	79 Å²	79	75.4 Å²	75.4	30%	0.298	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	9.1	-170.6	-52.3	179.1	70.7	-149	7	114.4	I424 L425 E457 C479 R483 S484 F485	I424-R481 WeakPolarHBondContact O-CD 3.28Å; I424-R481 PolarHBondContact O-NH1 3.11Å; L425-R481 WeakPolarHBondContact O-CA 3.32Å; L425-R481 VanDerWaalsContact O-CB 3.29Å; L425-R481 WeakPolarHBondContact O-CB 3.23Å; L425-R481 PolarHBondContact O-N 3.21Å; E457-R481 VanDerWaalsContact CD-NH2 3.35Å; E457-R481 IonicContact OE1-CZ 3.71Å; E457-R481 IonicContact OE1-NH1 3.24Å; E457-R481 IonicContact OE1-NH2 3.64Å; E457-R481 PolarHBondContact OE1-NH2 2.85Å; E457-R481 IonicContact OE2-CZ 2.72Å; E457-R481 IonicContact OE2-NH1 3.96Å; E457-R481 PolarHBondContact OE2-NH1 3.37Å; E457-R481 IonicContact OE2-NH2 3.56Å; E457-R481 PolarHBondContact OE2-NH2 3.07Å; C479-R481 VanDerWaalsContact C-N 3.32Å; C479-R481 PolarHBondContact O-N 2.63Å; R481-R483 VanDerWaalsContact C-N 3.28Å; R481-R483 PolarHBondContact O-N 3.33Å; R481-R483 VanDerWaalsContact O-N 3.17Å; R481-S484 VanDerWaalsContact O-CB 3.29Å; R481-S484 WeakPolarHBondContact O-CB 3.46Å; R481-S484 PolarHBondContact O-N 3.42Å; R481-S484 PolarHBondContact O-OG 3.34Å; R481-F485 HydrophobicContact CB-CE2 3.98Å; R481-F485 WeakPolarHBondContact O-CD2 3.23Å
482	V	96.5	Very high	95.2	Very high	30 Å²	30	79.9 Å²	79.9	18%	0.182	39%	0.393	C	S	.	.	H	α-helix	trans	-50.4	-44.5	-176.6	172.7	0	0	0	0	112.9	L476 C479 S484 F485 F486	L476-V482 HydrophobicContact CB-CG1 4.47Å; L476-V482 HydrophobicContact CB-CG2 4.04Å; L476-V482 HydrophobicContact CD2-CG1 4.31Å; L476-V482 HydrophobicContact CD2-CG2 3.87Å; L476-V482 VanDerWaalsContact O-CG2 3.29Å; L476-V482 WeakPolarHBondContact O-CG2 3.26Å; C479-V482 HydrophobicContact CB-CG2 3.69Å; C479-V482 WeakPolarHBondContact O-CG2 3.49Å; V482-S484 PolarHBondContact O-N 3.02Å; V482-S484 VanDerWaalsContact O-N 3.1Å; V482-F485 PolarHBondContact O-N 3.05Å; V482-F486 HydrophobicContact CG1-CB 4.09Å; V482-F486 HydrophobicContact CG1-CD2 3.85Å; V482-F486 HydrophobicContact CG1-CG 4.3Å; V482-F486 PolarHBondContact O-N 3.16Å
483	R	95.7	Very high	95.2	Very high	202 Å²	202	77.4 Å²	77.4	76%	0.762	38%	0.376	S	S	*	.	H	α-helix	trans	-59.8	-23.6	-178.6	-65.8	-177.4	179	-179.5	-0.6	114	R481 F485 R494	R481-R483 VanDerWaalsContact C-N 3.28Å; R481-R483 PolarHBondContact O-N 3.33Å; R481-R483 VanDerWaalsContact O-N 3.17Å; R483-F485 VanDerWaalsContact C-N 3.35Å; R483-R494 PolarHBondContact O-NE 3.07Å; R483-R494 PolarHBondContact O-NH2 3.44Å
484	S	96.3	Very high	95.2	Very high	77 Å²	77	77.9 Å²	77.9	54%	0.538	37%	0.373	S	S	.	.	H	α-helix	trans	-72.4	-27	175.6	-56	0	0	0	0	112.9	R481 V482	R481-S484 VanDerWaalsContact O-CB 3.29Å; R481-S484 WeakPolarHBondContact O-CB 3.46Å; R481-S484 PolarHBondContact O-N 3.42Å; R481-S484 PolarHBondContact O-OG 3.34Å; V482-S484 PolarHBondContact O-N 3.02Å; V482-S484 VanDerWaalsContact O-N 3.1Å
485	F	97.4	Very high	95.3	Very high	22 Å²	22	72.5 Å²	72.5	10%	0.096	35%	0.349	C	S	.	.	H	α-helix	trans	-114.5	-27.3	-172.4	-55.2	-70.6	0	0	0	113.7	I424 L425 E457 L461 R481 V482 R483 R494	I424-F485 HydrophobicContact CG2-CE1 4.07Å; I424-F485 HydrophobicContact CG2-CE2 3.96Å; I424-F485 HydrophobicContact CG2-CZ 3.58Å; I424-F485 WeakPolarHBondContact O-CE2 3.38Å; L425-F485 HydrophobicContact CD2-CD2 3.9Å; L425-F485 HydrophobicContact CD2-CE2 4.46Å; E457-F485 HydrophobicContact CG-CE1 4.32Å; E457-F485 HydrophobicContact CG-CZ 4.35Å; L461-F485 HydrophobicContact CD2-CB 3.58Å; L461-F485 HydrophobicContact CD2-CD1 3.87Å; L461-F485 HydrophobicContact CD2-CD2 4.06Å; L461-F485 HydrophobicContact CD2-CG 3.56Å; R481-F485 HydrophobicContact CB-CE2 3.98Å; R481-F485 WeakPolarHBondContact O-CD2 3.23Å; V482-F485 PolarHBondContact O-N 3.05Å; R483-F485 VanDerWaalsContact C-N 3.35Å; F485-R494 WeakPolarHBondContact O-CB 3.41Å; F485-R494 WeakPolarHBondContact O-CG 3.24Å; F485-R494 PolarHBondContact O-N 3.15Å
486	F	97.3	Very high	95.4	Very high	4 Å²	4	72.2 Å²	72.2	2%	0.018	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-118.2	150.6	-178.7	-58.4	-90.6	0	0	0	111	L425 L461 I465 M470 P471 L476 V482 G491 Y492 P493 R494	L425-F486 HydrophobicContact CD2-CE2 3.84Å; L461-F486 HydrophobicContact CD2-CE2 4.1Å; L461-F486 HydrophobicContact CD2-CZ 4.33Å; I465-F486 HydrophobicContact CD1-CE1 3.94Å; I465-F486 HydrophobicContact CD1-CZ 3.8Å; M470-F486 HydrophobicContact CE-CD1 3.97Å; M470-F486 HydrophobicContact CE-CE1 3.69Å; M470-F486 HydrophobicContact SD-CE1 4.23Å; P471-F486 HydrophobicContact CG-CE1 4.23Å; P471-F486 HydrophobicContact CG-CZ 3.73Å; L476-F486 HydrophobicContact CD2-CD2 4.12Å; L476-F486 HydrophobicContact CD2-CE2 3.67Å; L476-F486 HydrophobicContact CD2-CZ 4.05Å; V482-F486 HydrophobicContact CG1-CB 4.09Å; V482-F486 HydrophobicContact CG1-CD2 3.85Å; V482-F486 HydrophobicContact CG1-CG 4.3Å; V482-F486 PolarHBondContact O-N 3.16Å; F486-G491 WeakPolarHBondContact CD1-O 3.46Å; F486-Y492 CarbonylContact C-O 3.59Å; F486-Y492 WeakPolarHBondContact CA-O 3.45Å; F486-P493 HydrophobicContact CD1-CB 3.84Å; F486-P493 HydrophobicContact CE1-CB 3.78Å; F486-R494 PolarHBondContact O-NE 3.25Å; F486-R494 PolarHBondContact O-NH2 3Å
487	S	95.5	Very high	95.3	Very high	10 Å²	10	74.5 Å²	74.5	7%	0.07	36%	0.359	C	S	.	.			trans	-69.9	126.5	172.8	-178.8	0	0	0	0	110	T489 G491 Y492 M497	S487-T489 PolarHBondContact O-N 3.2Å; S487-T489 PolarHBondContact OG-N 3.16Å; S487-G491 WeakPolarHBondContact O-CA 3.4Å; S487-G491 PolarHBondContact O-N 3.28Å; S487-Y492 PolarHBondContact N-O 3.18Å; S487-M497 VanDerWaalsContact CB-SD 3.58Å
488	A	91.8	Very high	95.3	Very high	79 Å²	79	70.6 Å²	70.6	65%	0.653	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.6	175.8	0	0	0	0	0	112.7
489	T	92.1	Very high	95.2	Very high	113 Å²	113	69.4 Å²	69.4	69%	0.693	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-32.8	-177.6	-42.4	0	0	0	0	112.9	S487	S487-T489 PolarHBondContact O-N 3.2Å; S487-T489 PolarHBondContact OG-N 3.16Å
490	Y	91.6	Very high	95	Very high	102 Å²	102	71 Å²	71	40%	0.4	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-3.8	-168.1	-50.1	-62.1	0	0	0	114.5	Y492 M497 M499 V505	Y490-Y492 WeakPolarHBondContact O-CD2 3.43Å; Y490-Y492 PolarHBondContact O-N 3.4Å; Y490-M497 HydrophobicContact CD2-SD 3.77Å; Y490-M499 HydrophobicContact CE2-CE 4.15Å; Y490-V505 HydrophobicContact CD1-CG2 3.97Å; Y490-V505 HydrophobicContact CD2-CG1 4.43Å; Y490-V505 HydrophobicContact CD2-CG2 3.75Å; Y490-V505 HydrophobicContact CE1-CG2 3.78Å; Y490-V505 HydrophobicContact CE2-CG2 3.57Å; Y490-V505 HydrophobicContact CG-CG2 3.96Å
491	G	92.6	Very high	94.9	Very high	32 Å²	32	65 Å²	65	33%	0.33	35%	0.347	S	S	.	.			trans	68.6	-19	-174.5	0	0	0	0	0	115.4	F486 S487	F486-G491 WeakPolarHBondContact CD1-O 3.46Å; S487-G491 WeakPolarHBondContact O-CA 3.4Å; S487-G491 PolarHBondContact O-N 3.28Å
492	Y	95.4	Very high	94.8	Very high	102 Å²	102	68 Å²	68	40%	0.4	37%	0.368	S	S	.	.			trans	-66.8	148.6	-177	-62.9	-50.3	0	0	0	114.3	F486 S487 Y490 V505 L507	F486-Y492 CarbonylContact C-O 3.59Å; F486-Y492 WeakPolarHBondContact CA-O 3.45Å; S487-Y492 PolarHBondContact N-O 3.18Å; Y490-Y492 WeakPolarHBondContact O-CD2 3.43Å; Y490-Y492 PolarHBondContact O-N 3.4Å; Y492-V505 HydrophobicContact CD2-CG1 3.66Å; Y492-V505 HydrophobicContact CE2-CB 4.49Å; Y492-V505 HydrophobicContact CE2-CG1 4.05Å; Y492-L507 HydrophobicContact CD1-CD1 4.22Å; Y492-L507 HydrophobicContact CD1-CD2 4.13Å; Y492-L507 HydrophobicContact CG-CD2 3.94Å
493	P	97.2	Very high	94.6	Very high	1 Å²	1	68.9 Å²	68.9	1%	0.006	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-72.8	129.4	-179.2	29.3	-32.5	0	0	0	111	I465 M470 F486 Y495 C496 M497 P521	I465-P493 HydrophobicContact CD1-CB 3.94Å; I465-P493 HydrophobicContact CG2-CG 4.39Å; M470-P493 HydrophobicContact SD-CG 3.85Å; F486-P493 HydrophobicContact CD1-CB 3.84Å; F486-P493 HydrophobicContact CE1-CB 3.78Å; P493-Y495 HydrophobicContact CB-CD1 3.87Å; P493-Y495 HydrophobicContact CB-CE1 3.88Å; P493-Y495 HydrophobicContact CG-CD1 4.38Å; P493-Y495 HydrophobicContact CG-CE1 3.98Å; P493-Y495 PolarHBondContact O-N 3.28Å; P493-Y495 VanDerWaalsContact O-N 3.09Å; P493-C496 PolarHBondContact O-N 3.05Å; P493-M497 PolarHBondContact O-N 2.86Å; P493-P521 HydrophobicContact CG-CG 4.13Å
494	R	96.5	Very high	94.4	Very high	124 Å²	124	62.6 Å²	62.6	47%	0.468	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-24	-171.1	-67.4	177.1	-178.3	-83.5	4.6	114.1	R483 F485 F486 C496	R483-R494 PolarHBondContact O-NE 3.07Å; R483-R494 PolarHBondContact O-NH2 3.44Å; F485-R494 WeakPolarHBondContact O-CB 3.41Å; F485-R494 WeakPolarHBondContact O-CG 3.24Å; F485-R494 PolarHBondContact O-N 3.15Å; F486-R494 PolarHBondContact O-NE 3.25Å; F486-R494 PolarHBondContact O-NH2 3Å; R494-C496 PolarHBondContact O-N 2.94Å
495	Y	96.6	Very high	94.3	Very high	49 Å²	49	60.7 Å²	60.7	19%	0.192	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-30.4	-175.2	84.3	-90.2	0	0	0	113.1	A462 I465 P493 S510 R518 G519	A462-Y495 HydrophobicContact CB-CD1 3.7Å; A462-Y495 HydrophobicContact CB-CD2 3.7Å; A462-Y495 HydrophobicContact CB-CE1 3.95Å; A462-Y495 HydrophobicContact CB-CE2 3.94Å; A462-Y495 HydrophobicContact CB-CG 3.59Å; I465-Y495 HydrophobicContact CB-CE1 4.14Å; I465-Y495 HydrophobicContact CD1-CE1 4.27Å; I465-Y495 HydrophobicContact CG2-CE1 3.98Å; P493-Y495 HydrophobicContact CB-CD1 3.87Å; P493-Y495 HydrophobicContact CB-CE1 3.88Å; P493-Y495 HydrophobicContact CG-CD1 4.38Å; P493-Y495 HydrophobicContact CG-CE1 3.98Å; P493-Y495 PolarHBondContact O-N 3.28Å; P493-Y495 VanDerWaalsContact O-N 3.09Å; Y495-S510 WeakPolarHBondContact O-CB 3.36Å; Y495-S510 PolarHBondContact O-OG 2.7Å; Y495-R518 HydrophobicContact CD2-CB 4.02Å; Y495-R518 HydrophobicContact CE2-CB 3.79Å; Y495-G519 VanDerWaalsContact CE2-O 3.23Å; Y495-G519 WeakPolarHBondContact CE2-O 3.4Å; Y495-G519 PolarHBondContact OH-O 2.88Å
496	C	96.1	Very high	94.2	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.02	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	3.8	-178.1	61.3	0	0	0	0	113.9	P493 R494 A498 L507 R508	P493-C496 PolarHBondContact O-N 3.05Å; R494-C496 PolarHBondContact O-N 2.94Å; C496-A498 PolarHBondContact O-N 3.22Å; C496-L507 CarbonylContact O-C 3.51Å; C496-L507 WeakPolarHBondContact O-CA 3.33Å; C496-R508 WeakPolarHBondContact CA-O 3.43Å; C496-R508 WeakPolarHBondContact CB-O 3.48Å; C496-R508 PolarHBondContact O-N 3.22Å
497	M	95	Very high	94.1	Very high	55 Å²	55	63.9 Å²	63.9	27%	0.271	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	121.1	174.7	-170.5	-171.6	80.6	0	0	110.7	S487 Y490 P493 V505	S487-M497 VanDerWaalsContact CB-SD 3.58Å; Y490-M497 HydrophobicContact CD2-SD 3.77Å; P493-M497 PolarHBondContact O-N 2.86Å; M497-V505 HydrophobicContact CG-CG1 3.57Å; M497-V505 HydrophobicContact SD-CG1 4.2Å
498	A	93.9	Very high	94.2	Very high	33 Å²	33	69.7 Å²	69.7	27%	0.273	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	166.9	173.6	0	0	0	0	0	110.5	C496 V505 V506 R508	C496-A498 PolarHBondContact O-N 3.22Å; A498-V505 WeakPolarHBondContact O-CA 3.36Å; A498-V506 HydrophobicContact CB-CG2 4.34Å; A498-V506 PolarHBondContact N-O 3.21Å; A498-V506 PolarHBondContact O-N 3.4Å; A498-V506 VanDerWaalsContact O-O 3.09Å; A498-R508 HydrophobicContact CB-CG 4.32Å
499	M	92.8	Very high	94.4	Very high	95 Å²	95	69.4 Å²	69.4	47%	0.468	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	152.4	162.6	-60.2	-54.6	-168.1	0	0	109.8	Y490 C504 V505	Y490-M499 HydrophobicContact CE2-CE 4.15Å; M499-C504 CarbonylContact C-O 3.49Å; M499-C504 WeakPolarHBondContact CA-O 3.12Å; M499-V505 HydrophobicContact CE-CG2 3.89Å; M499-V505 HydrophobicContact SD-CB 4.33Å; M499-V505 HydrophobicContact SD-CG2 3.66Å
500	D	93	Very high	94.5	Very high	46 Å²	46	65.5 Å²	65.5	25%	0.246	37%	0.365	C	S	.	.			trans	-92.1	-175	162	71.3	16.7	0	0	0	112	N502 G503 C504 V506	D500-N502 PolarHBondContact O-N 3.23Å; D500-N502 WeakPolarHBondContact OD1-CA 3.37Å; D500-N502 WeakPolarHBondContact OD1-CB 3.28Å; D500-N502 PolarHBondContact OD1-N 2.97Å; D500-G503 PolarHBondContact O-N 2.91Å; D500-G503 VanDerWaalsContact O-N 3.15Å; D500-G503 PolarHBondContact OD1-N 3.47Å; D500-C504 PolarHBondContact N-O 3.39Å; D500-C504 WeakPolarHBondContact OD1-CB 3.43Å; D500-C504 PolarHBondContact OD1-N 3.43Å; D500-V506 HydrophobicContact CB-CG1 4.2Å; D500-V506 HydrophobicContact CB-CG2 4.09Å
501	A	93.9	Very high	94.7	Very high	108 Å²	108	65.9 Å²	65.9	89%	0.893	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.4	-178.6	0	0	0	0	0	114.1
502	N	94	Very high	94.8	Very high	140 Å²	140	65.2 Å²	65.2	75%	0.749	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-1.1	178.4	-57.1	-25.2	0	0	0	112	D500 C504	D500-N502 PolarHBondContact O-N 3.23Å; D500-N502 WeakPolarHBondContact OD1-CA 3.37Å; D500-N502 WeakPolarHBondContact OD1-CB 3.28Å; D500-N502 PolarHBondContact OD1-N 2.97Å; N502-C504 VanDerWaalsContact C-N 3.3Å
503	G	90.7	Very high	94.7	Very high	49 Å²	49	68.7 Å²	68.7	51%	0.505	38%	0.38	S	S	.	.	S	Bend	trans	79.1	8.8	-172.1	0	0	0	0	0	114.2	D500	D500-G503 PolarHBondContact O-N 2.91Å; D500-G503 VanDerWaalsContact O-N 3.15Å; D500-G503 PolarHBondContact OD1-N 3.47Å
504	C	93	Very high	94.5	Very high	71 Å²	71	76.8 Å²	76.8	48%	0.48	41%	0.411	S	S	.	.			trans	-77.9	139.7	176.2	-70.5	0	0	0	0	110.7	M499 D500 N502 V506	M499-C504 CarbonylContact C-O 3.49Å; M499-C504 WeakPolarHBondContact CA-O 3.12Å; D500-C504 PolarHBondContact N-O 3.39Å; D500-C504 WeakPolarHBondContact OD1-CB 3.43Å; D500-C504 PolarHBondContact OD1-N 3.43Å; N502-C504 VanDerWaalsContact C-N 3.3Å; C504-V506 PolarHBondContact O-N 3.16Å
505	V	93	Very high	94.4	Very high	36 Å²	36	73 Å²	73	22%	0.218	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	124.9	178.2	-174.7	0	0	0	0	109.8	Y490 Y492 M497 A498 M499	Y490-V505 HydrophobicContact CD1-CG2 3.97Å; Y490-V505 HydrophobicContact CD2-CG1 4.43Å; Y490-V505 HydrophobicContact CD2-CG2 3.75Å; Y490-V505 HydrophobicContact CE1-CG2 3.78Å; Y490-V505 HydrophobicContact CE2-CG2 3.57Å; Y490-V505 HydrophobicContact CG-CG2 3.96Å; Y492-V505 HydrophobicContact CD2-CG1 3.66Å; Y492-V505 HydrophobicContact CE2-CB 4.49Å; Y492-V505 HydrophobicContact CE2-CG1 4.05Å; M497-V505 HydrophobicContact CG-CG1 3.57Å; M497-V505 HydrophobicContact SD-CG1 4.2Å; A498-V505 WeakPolarHBondContact O-CA 3.36Å; M499-V505 HydrophobicContact CE-CG2 3.89Å; M499-V505 HydrophobicContact SD-CB 4.33Å; M499-V505 HydrophobicContact SD-CG2 3.66Å
506	V	95.6	Very high	94.3	Very high	34 Å²	34	74.9 Å²	74.9	21%	0.206	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.2	-178.4	-68.9	0	0	0	0	110.5	A498 D500 C504 R508	A498-V506 HydrophobicContact CB-CG2 4.34Å; A498-V506 PolarHBondContact N-O 3.21Å; A498-V506 PolarHBondContact O-N 3.4Å; A498-V506 VanDerWaalsContact O-O 3.09Å; D500-V506 HydrophobicContact CB-CG1 4.2Å; D500-V506 HydrophobicContact CB-CG2 4.09Å; C504-V506 PolarHBondContact O-N 3.16Å; V506-R508 HydrophobicContact CG2-CG 4.17Å
507	L	96.6	Very high	94.3	Very high	60 Å²	60	80.1 Å²	80.1	31%	0.314	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.2	174.7	-55	-173.9	0	0	0	109.7	Y492 C496 T520 P521	Y492-L507 HydrophobicContact CD1-CD1 4.22Å; Y492-L507 HydrophobicContact CD1-CD2 4.13Å; Y492-L507 HydrophobicContact CG-CD2 3.94Å; C496-L507 CarbonylContact O-C 3.51Å; C496-L507 WeakPolarHBondContact O-CA 3.33Å; L507-T520 HydrophobicContact CB-CG2 3.8Å; L507-P521 HydrophobicContact CD1-CG 3.97Å
508	R	96.2	Very high	94.4	Very high	132 Å²	132	78.1 Å²	78.1	50%	0.498	44%	0.436	S	S	.	.			trans	-134.1	142	-179	-60.8	-173.6	-175.7	-78.5	-1.4	110.2	C496 A498 V506	C496-R508 WeakPolarHBondContact CA-O 3.43Å; C496-R508 WeakPolarHBondContact CB-O 3.48Å; C496-R508 PolarHBondContact O-N 3.22Å; A498-R508 HydrophobicContact CB-CG 4.32Å; V506-R508 HydrophobicContact CG2-CG 4.17Å
509	S	96.1	Very high	94.6	Very high	72 Å²	72	76.9 Å²	76.9	50%	0.503	43%	0.426	S	S	.	.			trans	-56.9	142	173.3	-49.2	0	0	0	0	110.8	R518	S509-R518 CarbonylContact C-O 3.55Å; S509-R518 WeakPolarHBondContact CA-O 3.13Å; S509-R518 VanDerWaalsContact CB-O 3.3Å; S509-R518 WeakPolarHBondContact CB-O 3.46Å
510	S	94.9	Very high	94.8	Very high	31 Å²	31	74.3 Å²	74.3	22%	0.217	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	166.3	-172.9	65.3	0	0	0	0	112.6	Y495 I517 R518	Y495-S510 WeakPolarHBondContact O-CB 3.36Å; Y495-S510 PolarHBondContact O-OG 2.7Å; S510-I517 CarbonylContact O-C 3.6Å; S510-I517 WeakPolarHBondContact O-CA 3.35Å; S510-R518 PolarHBondContact N-O 2.83Å; S510-R518 PolarHBondContact O-N 3.03Å
511	N	95.2	Very high	95.1	Very high	111 Å²	111	73.7 Å²	73.7	59%	0.594	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	138.3	-176.4	-73.1	42.6	0	0	0	111.9	G515 K516	N511-G515 PolarHBondContact ND2-O 3.38Å; N511-K516 CarbonylContact C-O 3.57Å; N511-K516 VanDerWaalsContact CA-O 3.27Å; N511-K516 WeakPolarHBondContact CA-O 3.44Å
512	T	94.6	Very high	95.2	Very high	17 Å²	17	70.3 Å²	70.3	10%	0.104	39%	0.39	C	S	.	.			trans	-69.3	171.9	168.6	71.3	0	0	0	0	111.8	E455 D459 R514 G515 K516 R518	E455-T512 WeakPolarHBondContact OE1-CB 3.43Å; E455-T512 PolarHBondContact OE1-OG1 3.29Å; E455-T512 WeakPolarHBondContact OE2-CB 3.48Å; E455-T512 PolarHBondContact OE2-OG1 3.32Å; D459-T512 WeakPolarHBondContact OD1-CG2 3.38Å; T512-R514 PolarHBondContact O-N 2.88Å; T512-R514 PolarHBondContact OG1-N 3.22Å; T512-G515 PolarHBondContact O-N 3.1Å; T512-G515 PolarHBondContact OG1-N 3.03Å; T512-K516 HydrophobicContact CG2-CB 3.97Å; T512-K516 WeakPolarHBondContact CG2-O 3.17Å; T512-K516 PolarHBondContact N-O 3.49Å; T512-K516 WeakPolarHBondContact OG1-CB 3.15Å; T512-K516 PolarHBondContact OG1-N 3.3Å; T512-R518 HydrophobicContact CG2-CG 3.86Å
513	K	92.8	Very high	95.4	Very high	176 Å²	176	67 Å²	67	77%	0.765	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.5	174.8	-68.3	167.4	-179.4	165.3	0	112.6	E455 D456	E455-K513 PolarHBondContact OE2-N 3.05Å; D456-K513 IonicContact OD2-NZ 3.26Å; D456-K513 PolarHBondContact OD2-NZ 2.85Å
514	R	94.7	Very high	95.7	Very high	170 Å²	170	67.9 Å²	67.9	64%	0.642	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	16.5	172.8	-54.6	173.7	-176.1	-168.3	-3.1	113.5	E455 T512 K516	E455-R514 HydrophobicContact CG-CG 4.48Å; E455-R514 WeakPolarHBondContact OE1-CB 3.45Å; E455-R514 WeakPolarHBondContact OE2-CG 3.32Å; E455-R514 PolarHBondContact OE2-N 3.28Å; T512-R514 PolarHBondContact O-N 2.88Å; T512-R514 PolarHBondContact OG1-N 3.22Å; R514-K516 PolarHBondContact O-N 3.34Å
515	G	94.3	Very high	95.9	Very high	44 Å²	44	67.2 Å²	67.2	45%	0.454	36%	0.362	S	S	.	.	S	Bend	trans	77.3	10.8	171.7	0	0	0	0	0	116.4	N511 T512	N511-G515 PolarHBondContact ND2-O 3.38Å; T512-G515 PolarHBondContact O-N 3.1Å; T512-G515 PolarHBondContact OG1-N 3.03Å
516	K	94.4	Very high	96.2	Very high	90 Å²	90	66.5 Å²	66.5	39%	0.391	36%	0.357	S	S	.	.			trans	-73	143.5	172.5	-60.6	177.8	-175.4	169.6	0	109.6	E455 N511 T512 R514	E455-K516 WeakPolarHBondContact OE1-CD 3.43Å; E455-K516 IonicContact OE1-NZ 3.21Å; N511-K516 CarbonylContact C-O 3.57Å; N511-K516 VanDerWaalsContact CA-O 3.27Å; N511-K516 WeakPolarHBondContact CA-O 3.44Å; T512-K516 HydrophobicContact CG2-CB 3.97Å; T512-K516 WeakPolarHBondContact CG2-O 3.17Å; T512-K516 PolarHBondContact N-O 3.49Å; T512-K516 WeakPolarHBondContact OG1-CB 3.15Å; T512-K516 PolarHBondContact OG1-N 3.3Å; R514-K516 PolarHBondContact O-N 3.34Å
517	I	96.3	Very high	96.3	Very high	112 Å²	112	67.3 Å²	67.3	57%	0.574	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	139.3	174.8	-57.6	176.6	0	0	0	109.5	S510	S510-I517 CarbonylContact O-C 3.6Å; S510-I517 WeakPolarHBondContact O-CA 3.35Å
518	R	97.3	Very high	96.3	Very high	14 Å²	14	69 Å²	69	5%	0.053	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.7	166.3	-58.1	-55.8	-177.2	-160.5	4.5	109.4	P453 D459 A462 C463 E466 Y495 S509 S510 T512	P453-R518 PolarHBondContact O-NH2 3.39Å; D459-R518 IonicContact OD1-CZ 3.57Å; D459-R518 IonicContact OD1-NE 3.07Å; D459-R518 PolarHBondContact OD1-NE 3.19Å; D459-R518 IonicContact OD1-NH2 3.94Å; D459-R518 PolarHBondContact OD1-NH2 3.06Å; D459-R518 IonicContact OD2-CZ 2.88Å; D459-R518 IonicContact OD2-NE 3.67Å; D459-R518 IonicContact OD2-NH2 2.94Å; D459-R518 PolarHBondContact OD2-NH2 3.36Å; A462-R518 HydrophobicContact CB-CG 4.36Å; C463-R518 PolarHBondContact SG-NH1 3.3Å; C463-R518 PolarHBondContact SG-NH2 2.74Å; C463-R518 VanDerWaalsContact SG-NH2 3.38Å; E466-R518 WeakPolarHBondContact OE1-CA 3.39Å; Y495-R518 HydrophobicContact CD2-CB 4.02Å; Y495-R518 HydrophobicContact CE2-CB 3.79Å; S509-R518 CarbonylContact C-O 3.55Å; S509-R518 WeakPolarHBondContact CA-O 3.13Å; S509-R518 VanDerWaalsContact CB-O 3.3Å; S509-R518 WeakPolarHBondContact CB-O 3.46Å; S510-R518 PolarHBondContact N-O 2.83Å; S510-R518 PolarHBondContact O-N 3.03Å; T512-R518 HydrophobicContact CG2-CG 3.86Å
519	G	97.4	Very high	96.4	Very high	7 Å²	7	63.2 Å²	63.2	7%	0.072	36%	0.355	C	S	.	.			trans	-77	175.4	177.6	0	0	0	0	0	114.2	E466 Y495 S523	E466-G519 PolarHBondContact OE1-N 2.77Å; Y495-G519 VanDerWaalsContact CE2-O 3.23Å; Y495-G519 WeakPolarHBondContact CE2-O 3.4Å; Y495-G519 PolarHBondContact OH-O 2.88Å; G519-S523 WeakPolarHBondContact CA-OG 3.38Å
520	T	97.6	Very high	96.5	Very high	40 Å²	40	60 Å²	60	25%	0.245	33%	0.332	C	S	.	.	S	Bend	trans	-73.5	168.4	174.4	51.8	0	0	0	0	111.4	L507 G522 S523	L507-T520 HydrophobicContact CB-CG2 3.8Å; T520-G522 PolarHBondContact O-N 3.49Å; T520-G522 VanDerWaalsContact O-N 3.16Å; T520-S523 PolarHBondContact N-OG 2.92Å; T520-S523 WeakPolarHBondContact O-CB 3.12Å; T520-S523 PolarHBondContact O-N 3.4Å; T520-S523 PolarHBondContact O-OG 2.68Å; T520-S523 VanDerWaalsContact O-OG 3.1Å
521	P	98.2	Very high	96.5	Very high	33 Å²	33	64.8 Å²	64.8	21%	0.214	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	122.3	-177.2	-26.7	35.5	0	0	0	112.9	I465 M470 P493 L507 S523	I465-P521 HydrophobicContact CG2-CB 3.63Å; I465-P521 HydrophobicContact CG2-CG 3.63Å; I465-P521 CarbonylContact O-C 3.57Å; I465-P521 WeakPolarHBondContact O-CA 3.14Å; M470-P521 HydrophobicContact CG-CB 4.04Å; M470-P521 HydrophobicContact CG-CG 4.24Å; M470-P521 HydrophobicContact SD-CB 4.29Å; M470-P521 HydrophobicContact SD-CG 3.96Å; P493-P521 HydrophobicContact CG-CG 4.13Å; L507-P521 HydrophobicContact CD1-CG 3.97Å; P521-S523 VanDerWaalsContact C-N 3.28Å; P521-S523 PolarHBondContact O-N 3.02Å
522	G	97.6	Very high	96.6	Very high	38 Å²	38	61.6 Å²	61.6	39%	0.392	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	8.9	-180	0	0	0	0	0	115.6	I465 E466 T520 R524	I465-G522 PolarHBondContact O-N 3.19Å; E466-G522 CarbonylContact O-C 3.44Å; E466-G522 VanDerWaalsContact O-C 3.25Å; E466-G522 VanDerWaalsContact O-CA 3.28Å; E466-G522 WeakPolarHBondContact O-CA 3.48Å; E466-G522 PolarHBondContact O-N 3.45Å; T520-G522 PolarHBondContact O-N 3.49Å; T520-G522 VanDerWaalsContact O-N 3.16Å; G522-R524 PolarHBondContact O-N 3.26Å
523	S	97.8	Very high	96.7	Very high	70 Å²	70	61.8 Å²	61.8	49%	0.49	34%	0.344	S	S	.	.			trans	-69.1	-12.3	-177.8	72.9	0	0	0	0	114.3	E466 G519 T520 P521	E466-S523 PolarHBondContact O-N 3.44Å; E466-S523 VanDerWaalsContact O-N 3.13Å; G519-S523 WeakPolarHBondContact CA-OG 3.38Å; T520-S523 PolarHBondContact N-OG 2.92Å; T520-S523 WeakPolarHBondContact O-CB 3.12Å; T520-S523 PolarHBondContact O-N 3.4Å; T520-S523 PolarHBondContact O-OG 2.68Å; T520-S523 VanDerWaalsContact O-OG 3.1Å; P521-S523 VanDerWaalsContact C-N 3.28Å; P521-S523 PolarHBondContact O-N 3.02Å
524	R	97.2	Very high	96.8	Very high	67 Å²	67	61.4 Å²	61.4	25%	0.253	35%	0.345	S	S	.	.	S	Bend	trans	-112.1	123.6	178.3	-174	174.9	174.7	-151.6	-5.8	110	E466 L467 G522	E466-R524 HydrophobicContact CG-CB 3.76Å; E466-R524 PolarHBondContact O-N 2.94Å; E466-R524 WeakPolarHBondContact OE2-CD 3.46Å; E466-R524 IonicContact OE2-NE 3.03Å; E466-R524 IonicContact OE2-NH1 2.73Å; E466-R524 PolarHBondContact OE2-NH1 2.87Å; L467-R524 HydrophobicContact CD1-CB 4.44Å; L467-R524 HydrophobicContact CD1-CG 4.17Å; G522-R524 PolarHBondContact O-N 3.26Å
525	S	97.2	Very high	96.9	Very high	57 Å²	57	54.9 Å²	54.9	40%	0.399	32%	0.323	S	S	.	.			trans	-76.3	152.6	177.3	90.8	0	0	0	0	112.2	V527 T528 A529	S525-V527 VanDerWaalsContact C-N 3.27Å; S525-V527 PolarHBondContact O-N 3.39Å; S525-V527 PolarHBondContact OG-N 3.16Å; S525-T528 WeakPolarHBondContact O-CB 3.23Å; S525-T528 PolarHBondContact O-N 2.67Å; S525-T528 WeakPolarHBondContact OG-CB 3.42Å; S525-T528 PolarHBondContact OG-N 2.88Å; S525-T528 PolarHBondContact OG-OG1 2.63Å; S525-A529 PolarHBondContact O-N 3.2Å
526	L	97.5	Very high	97	Very high	21 Å²	21	57.3 Å²	57.3	11%	0.11	33%	0.329	C	S	.	.	H	α-helix	trans	-61.8	-33.2	173.3	-176	62.2	0	0	0	112.8	I451 L467 A529 L530 L539 I542 R543	I451-L526 HydrophobicContact CD1-CD1 4.13Å; L467-L526 HydrophobicContact CD2-CD1 4.23Å; L526-A529 PolarHBondContact O-N 2.99Å; L526-L530 HydrophobicContact CD1-CD1 3.81Å; L526-L530 HydrophobicContact CD1-CG 4.06Å; L526-L530 HydrophobicContact CD2-CD1 4.47Å; L526-L530 HydrophobicContact CG-CD1 3.85Å; L526-L530 HydrophobicContact CG-CG 4.42Å; L526-L530 WeakPolarHBondContact O-CB 3.34Å; L526-L530 WeakPolarHBondContact O-CG 3.31Å; L526-L530 PolarHBondContact O-N 3.43Å; L526-L539 HydrophobicContact CD2-CB 4.32Å; L526-L539 HydrophobicContact CD2-CD2 4.32Å; L526-L539 WeakPolarHBondContact CD2-O 3.47Å; L526-L539 HydrophobicContact CG-CD2 4.23Å; L526-I542 HydrophobicContact CD1-CG2 3.98Å; L526-I542 HydrophobicContact CD2-CB 4.39Å; L526-I542 HydrophobicContact CD2-CG2 4.21Å; L526-R543 HydrophobicContact CD2-CG 3.63Å
527	V	97.9	Very high	97.1	Very high	52 Å²	52	53.8 Å²	53.8	32%	0.315	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-45.7	174.6	177.2	0	0	0	0	110.2	S525 A529 L530 K531 G532 L539	S525-V527 VanDerWaalsContact C-N 3.27Å; S525-V527 PolarHBondContact O-N 3.39Å; S525-V527 PolarHBondContact OG-N 3.16Å; V527-A529 VanDerWaalsContact C-N 3.34Å; V527-A529 PolarHBondContact O-N 3.26Å; V527-L530 CarbonylContact O-C 3.53Å; V527-L530 PolarHBondContact O-N 3.04Å; V527-K531 PolarHBondContact O-N 2.85Å; V527-G532 WeakPolarHBondContact O-CA 3.31Å; V527-G532 PolarHBondContact O-N 3.3Å; V527-L539 HydrophobicContact CG2-CD1 3.68Å
528	T	97.1	Very high	97.2	Very high	96 Å²	96	48.5 Å²	48.5	59%	0.589	29%	0.288	S	S	*	.	H	α-helix	trans	-63.5	-38.6	175.7	-47.2	0	0	0	0	111.7	S525	S525-T528 WeakPolarHBondContact O-CB 3.23Å; S525-T528 PolarHBondContact O-N 2.67Å; S525-T528 WeakPolarHBondContact OG-CB 3.42Å; S525-T528 PolarHBondContact OG-N 2.88Å; S525-T528 PolarHBondContact OG-OG1 2.63Å
529	A	97.5	Very high	97.3	Very high	9 Å²	9	48.2 Å²	48.2	7%	0.074	29%	0.287	C	S	.	.	H	α-helix	trans	-67.6	-34.8	175.5	0	0	0	0	0	112.8	I451 L467 S525 L526 V527 K531	I451-A529 HydrophobicContact CG1-CB 4.37Å; L467-A529 HydrophobicContact CD1-CB 3.49Å; L467-A529 VanDerWaalsContact CD1-CB 3.49Å; S525-A529 PolarHBondContact O-N 3.2Å; L526-A529 PolarHBondContact O-N 2.99Å; V527-A529 VanDerWaalsContact C-N 3.34Å; V527-A529 PolarHBondContact O-N 3.26Å; A529-K531 VanDerWaalsContact C-N 3.3Å; A529-K531 PolarHBondContact O-N 2.62Å
530	L	98.1	Very high	97.3	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	34.2	179.1	-63.7	174.8	0	0	0	113.4	A443 L446 T447 L526 V527 G532 C533 F538 L539	A443-L530 HydrophobicContact CB-CD2 3.52Å; L446-L530 HydrophobicContact CD2-CB 4.45Å; T447-L530 HydrophobicContact CG2-CB 4.45Å; T447-L530 HydrophobicContact CG2-CD2 4.1Å; L526-L530 HydrophobicContact CD1-CD1 3.81Å; L526-L530 HydrophobicContact CD1-CG 4.06Å; L526-L530 HydrophobicContact CD2-CD1 4.47Å; L526-L530 HydrophobicContact CG-CD1 3.85Å; L526-L530 HydrophobicContact CG-CG 4.42Å; L526-L530 WeakPolarHBondContact O-CB 3.34Å; L526-L530 WeakPolarHBondContact O-CG 3.31Å; L526-L530 PolarHBondContact O-N 3.43Å; V527-L530 CarbonylContact O-C 3.53Å; V527-L530 PolarHBondContact O-N 3.04Å; L530-G532 PolarHBondContact O-N 2.96Å; L530-G532 VanDerWaalsContact O-N 3.1Å; L530-C533 HydrophobicContact CB-CB 3.86Å; L530-C533 WeakPolarHBondContact O-CB 3.47Å; L530-C533 PolarHBondContact O-N 3.2Å; L530-F538 HydrophobicContact CD1-CD1 4.39Å; L530-F538 HydrophobicContact CD1-CE1 4.01Å; L530-L539 HydrophobicContact CD1-CD2 3.59Å
531	K	96.6	Very high	97.3	Very high	133 Å²	133	48.3 Å²	48.3	58%	0.578	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	33.9	177.1	-69.6	-174	172	178.3	0	114.7	F347 T447 V527 A529	F347-K531 PolarHBondContact O-NZ 3.27Å; T447-K531 HydrophobicContact CG2-CB 4.31Å; T447-K531 HydrophobicContact CG2-CD 4.41Å; T447-K531 HydrophobicContact CG2-CG 4.03Å; T447-K531 WeakPolarHBondContact O-CE 3.43Å; T447-K531 PolarHBondContact O-NZ 3.19Å; V527-K531 PolarHBondContact O-N 2.85Å; A529-K531 VanDerWaalsContact C-N 3.3Å; A529-K531 PolarHBondContact O-N 2.62Å
532	G	96.2	Very high	97.4	Very high	44 Å²	44	46.7 Å²	46.7	45%	0.454	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	26.5	-179.3	0	0	0	0	0	114.6	V527 L530 E534	V527-G532 WeakPolarHBondContact O-CA 3.31Å; V527-G532 PolarHBondContact O-N 3.3Å; L530-G532 PolarHBondContact O-N 2.96Å; L530-G532 VanDerWaalsContact O-N 3.1Å; G532-E534 PolarHBondContact O-N 3.46Å
533	C	96.3	Very high	97.4	Very high	20 Å²	20	50.3 Å²	50.3	14%	0.135	28%	0.276	C	S	.	.			trans	-68.5	124.3	176.1	-172.8	0	0	0	0	112.3	L446 L530 L539	L446-C533 HydrophobicContact CD2-CB 3.87Å; L530-C533 HydrophobicContact CB-CB 3.86Å; L530-C533 WeakPolarHBondContact O-CB 3.47Å; L530-C533 PolarHBondContact O-N 3.2Å; C533-L539 HydrophobicContact CB-CD2 4.49Å
534	E	95.1	Very high	97.4	Very high	168 Å²	168	50.3 Å²	50.3	79%	0.785	27%	0.267	S	S	*	.			trans	-104.5	-1.6	-176.5	-62.8	-179.3	161.6	0	0	114.6	G532 T536	G532-E534 PolarHBondContact O-N 3.46Å; E534-T536 VanDerWaalsContact C-N 3.32Å; E534-T536 PolarHBondContact O-N 3.31Å
535	D	96.8	Very high	97.5	Very high	33 Å²	33	47.1 Å²	47.1	18%	0.176	26%	0.255	C	S	.	.			trans	-68.2	90.5	174.4	-177	-12.2	0	0	0	109.5	L352 V537 F538 L539 R567	L352-D535 HydrophobicContact CD2-CB 3.7Å; L352-D535 WeakPolarHBondContact CD2-OD2 3.25Å; D535-V537 PolarHBondContact O-N 3.27Å; D535-V537 PolarHBondContact OD1-N 3.49Å; D535-F538 HydrophobicContact CB-CB 3.97Å; D535-F538 WeakPolarHBondContact O-CA 3.43Å; D535-F538 WeakPolarHBondContact O-CB 3.42Å; D535-F538 PolarHBondContact O-N 3.42Å; D535-F538 PolarHBondContact OD1-N 2.92Å; D535-L539 WeakPolarHBondContact O-CG 3.31Å; D535-L539 PolarHBondContact O-N 3.37Å; D535-R567 IonicContact OD1-CZ 3.73Å; D535-R567 IonicContact OD1-NH1 3.47Å; D535-R567 PolarHBondContact OD1-NH1 2.96Å; D535-R567 IonicContact OD1-NH2 2.77Å; D535-R567 IonicContact OD2-NH1 3.6Å; D535-R567 PolarHBondContact OD2-NH1 3.38Å
536	T	96.9	Very high	97.6	Very high	95 Å²	95	44.7 Å²	44.7	58%	0.583	24%	0.238	S	C	*	.	H	α-helix	trans	-49	-30.8	-176.6	54.7	0	0	0	0	113.9	E534 D540	E534-T536 VanDerWaalsContact C-N 3.32Å; E534-T536 PolarHBondContact O-N 3.31Å; T536-D540 WeakPolarHBondContact O-CB 3.28Å; T536-D540 PolarHBondContact O-N 3.19Å
537	V	97	Very high	97.6	Very high	17 Å²	17	48.7 Å²	48.7	10%	0.103	25%	0.251	C	S	.	.	H	α-helix	trans	-90.9	-22.9	-176.3	171.9	0	0	0	0	112	D535 F541 E563 W564 R567	D535-V537 PolarHBondContact O-N 3.27Å; D535-V537 PolarHBondContact OD1-N 3.49Å; V537-F541 WeakPolarHBondContact O-CB 3.45Å; V537-F541 PolarHBondContact O-N 3.16Å; V537-F541 VanDerWaalsContact O-N 3.1Å; V537-E563 HydrophobicContact CG1-CB 3.83Å; V537-E563 HydrophobicContact CG1-CG 4.32Å; V537-W564 HydrophobicContact CG1-CB 3.95Å; V537-R567 VanDerWaalsContact CB-NH2 3.28Å
538	F	98	Very high	97.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-71.1	-42.4	159.1	-179.4	-114	0	0	0	111.5	L352 L442 L446 L530 D535 D540 F541 I542 W564	L352-F538 HydrophobicContact CD1-CB 4.36Å; L352-F538 HydrophobicContact CD1-CD1 3.87Å; L352-F538 HydrophobicContact CD1-CD2 3.89Å; L352-F538 HydrophobicContact CD1-CE1 4.09Å; L352-F538 HydrophobicContact CD1-CE2 4.08Å; L352-F538 HydrophobicContact CD1-CG 3.75Å; L352-F538 HydrophobicContact CD1-CZ 4.16Å; L352-F538 HydrophobicContact CD2-CB 4.19Å; L352-F538 HydrophobicContact CD2-CG 4.45Å; L442-F538 HydrophobicContact CB-CE2 4.39Å; L442-F538 HydrophobicContact CB-CZ 4.34Å; L442-F538 HydrophobicContact CD1-CE2 4.41Å; L446-F538 HydrophobicContact CD2-CD1 3.99Å; L446-F538 HydrophobicContact CD2-CE1 3.41Å; L446-F538 VanDerWaalsContact CD2-CE1 3.41Å; L446-F538 HydrophobicContact CD2-CZ 4.23Å; L530-F538 HydrophobicContact CD1-CD1 4.39Å; L530-F538 HydrophobicContact CD1-CE1 4.01Å; D535-F538 HydrophobicContact CB-CB 3.97Å; D535-F538 WeakPolarHBondContact O-CA 3.43Å; D535-F538 WeakPolarHBondContact O-CB 3.42Å; D535-F538 PolarHBondContact O-N 3.42Å; D535-F538 PolarHBondContact OD1-N 2.92Å; F538-D540 VanDerWaalsContact C-N 3.3Å; F538-D540 PolarHBondContact O-N 3.38Å; F538-F541 WeakPolarHBondContact O-CB 3.46Å; F538-F541 PolarHBondContact O-N 3.04Å; F538-F541 VanDerWaalsContact O-N 3.15Å; F538-I542 HydrophobicContact CD1-CG1 4.27Å; F538-I542 HydrophobicContact CD2-CG1 4.24Å; F538-I542 HydrophobicContact CE1-CD1 4.33Å; F538-I542 HydrophobicContact CE1-CG1 3.78Å; F538-I542 HydrophobicContact CE2-CD1 3.8Å; F538-I542 HydrophobicContact CE2-CG1 3.79Å; F538-I542 HydrophobicContact CG-CG1 4.5Å; F538-I542 HydrophobicContact CZ-CD1 3.63Å; F538-I542 HydrophobicContact CZ-CG1 3.55Å; F538-I542 WeakPolarHBondContact O-CG1 3.44Å; F538-I542 PolarHBondContact O-N 3.41Å; F538-W564 HydrophobicContact CB-CG 4.4Å; F538-W564 AromaticContact CD2-CD2 3.8Å; F538-W564 HydrophobicContact CD2-CD2 3.8Å; F538-W564 AromaticContact CD2-CE2 3.36Å; F538-W564 HydrophobicContact CD2-CE3 4.2Å; F538-W564 HydrophobicContact CD2-CG 4.38Å; F538-W564 AromaticContact CD2-CH2 3.86Å; F538-W564 HydrophobicContact CD2-CH2 3.86Å; F538-W564 AromaticContact CD2-CZ2 3.42Å; F538-W564 HydrophobicContact CD2-CZ2 3.42Å; F538-W564 VanDerWaalsContact CD2-CZ2 3.42Å; F538-W564 HydrophobicContact CD2-CZ3 4.22Å; F538-W564 AromaticContact CD2-NE1 3.64Å; F538-W564 AromaticContact CE2-CH2 3.71Å; F538-W564 HydrophobicContact CE2-CH2 3.71Å; F538-W564 AromaticContact CE2-CZ2 3.64Å; F538-W564 HydrophobicContact CE2-CZ2 3.64Å; F538-W564 HydrophobicContact CE2-CZ3 4.22Å; F538-W564 HydrophobicContact CG-CZ2 4.41Å; F538-W564 AromaticContact CG-NE1 3.98Å
539	L	98.4	Very high	97.7	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-58.9	-43.4	176.3	-60.8	178.2	0	0	0	111.1	L526 V527 L530 C533 D535 I542 R543	L526-L539 HydrophobicContact CD2-CB 4.32Å; L526-L539 HydrophobicContact CD2-CD2 4.32Å; L526-L539 WeakPolarHBondContact CD2-O 3.47Å; L526-L539 HydrophobicContact CG-CD2 4.23Å; V527-L539 HydrophobicContact CG2-CD1 3.68Å; L530-L539 HydrophobicContact CD1-CD2 3.59Å; C533-L539 HydrophobicContact CB-CD2 4.49Å; D535-L539 WeakPolarHBondContact O-CG 3.31Å; D535-L539 PolarHBondContact O-N 3.37Å; L539-I542 PolarHBondContact O-N 3.09Å; L539-R543 VanDerWaalsContact C-NH1 3.33Å; L539-R543 VanDerWaalsContact O-CG 3.32Å; L539-R543 WeakPolarHBondContact O-CG 3.49Å; L539-R543 PolarHBondContact O-N 2.85Å
540	D	98.2	Very high	97.7	Very high	49 Å²	49	43.8 Å²	43.8	26%	0.262	22%	0.218	S	C	.	.	H	α-helix	trans	-62.4	-44.2	172.6	176.4	46.4	0	0	0	112.8	T536 F538 I542 R543 K544 H562	T536-D540 WeakPolarHBondContact O-CB 3.28Å; T536-D540 PolarHBondContact O-N 3.19Å; F538-D540 VanDerWaalsContact C-N 3.3Å; F538-D540 PolarHBondContact O-N 3.38Å; D540-I542 VanDerWaalsContact C-N 3.33Å; D540-I542 PolarHBondContact O-N 3.49Å; D540-R543 PolarHBondContact O-N 3.5Å; D540-K544 VanDerWaalsContact CG-NZ 3.26Å; D540-K544 WeakPolarHBondContact O-CB 3.38Å; D540-K544 WeakPolarHBondContact O-CG 3.37Å; D540-K544 PolarHBondContact O-N 3.1Å; D540-K544 WeakPolarHBondContact OD1-CD 3.38Å; D540-K544 WeakPolarHBondContact OD1-CE 3.42Å; D540-K544 IonicContact OD1-NZ 3.18Å; D540-K544 PolarHBondContact OD1-NZ 3.13Å; D540-K544 VanDerWaalsContact OD1-NZ 3.14Å; D540-K544 IonicContact OD2-NZ 2.96Å; D540-K544 PolarHBondContact OD2-NZ 3.06Å; D540-H562 IonicContact OD2-CE1 2.72Å; D540-H562 PolarHBondContact OD2-CE1 3.33Å; D540-H562 IonicContact OD2-NE2 2.8Å; D540-H562 PolarHBondContact OD2-NE2 2.93Å
541	F	98.6	Very high	97.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-54.6	-48.2	173.9	-171.8	-85.4	0	0	0	111.7	L363 F438 L442 V537 F538 K544 C545 M554 A559 H562 W564 L565	L363-F541 HydrophobicContact CD1-CZ 4.35Å; F438-F541 AromaticContact CE1-CE1 3.6Å; F438-F541 HydrophobicContact CE1-CE1 3.6Å; F438-F541 AromaticContact CE1-CZ 3.69Å; F438-F541 HydrophobicContact CE1-CZ 3.69Å; F438-F541 HydrophobicContact CZ-CE1 4.03Å; F438-F541 HydrophobicContact CZ-CZ 4.02Å; L442-F541 HydrophobicContact CD1-CD1 4.13Å; L442-F541 HydrophobicContact CD1-CE1 3.57Å; V537-F541 WeakPolarHBondContact O-CB 3.45Å; V537-F541 PolarHBondContact O-N 3.16Å; V537-F541 VanDerWaalsContact O-N 3.1Å; F538-F541 WeakPolarHBondContact O-CB 3.46Å; F538-F541 PolarHBondContact O-N 3.04Å; F538-F541 VanDerWaalsContact O-N 3.15Å; F541-K544 PolarHBondContact O-N 3.2Å; F541-C545 PolarHBondContact O-N 3.3Å; F541-C545 VanDerWaalsContact O-N 3.09Å; F541-C545 PolarHBondContact O-SG 2.9Å; F541-C545 VanDerWaalsContact O-SG 3.37Å; F541-M554 HydrophobicContact CD2-CE 3.77Å; F541-M554 HydrophobicContact CD2-SD 4.12Å; F541-M554 HydrophobicContact CE2-CE 4.01Å; F541-M554 HydrophobicContact CE2-SD 3.77Å; F541-M554 HydrophobicContact CG-CE 4.06Å; F541-M554 HydrophobicContact CZ-SD 4.24Å; F541-M554 WeakPolarHBondContact O-CE 3.32Å; F541-A559 HydrophobicContact CE2-CB 3.97Å; F541-A559 HydrophobicContact CZ-CB 3.99Å; F541-H562 HydrophobicContact CD2-CB 3.77Å; F541-H562 AromaticContact CD2-CG 3.58Å; F541-H562 AromaticContact CD2-ND1 3.62Å; F541-H562 HydrophobicContact CE2-CB 3.95Å; F541-W564 HydrophobicContact CB-CB 4.39Å; F541-W564 AromaticContact CD1-CE3 3.99Å; F541-W564 HydrophobicContact CD1-CE3 3.99Å; F541-W564 HydrophobicContact CD1-CZ3 4.16Å; F541-W564 HydrophobicContact CD2-CB 4.33Å; F541-W564 AromaticContact CD2-CE3 3.91Å; F541-W564 HydrophobicContact CD2-CE3 3.91Å; F541-W564 HydrophobicContact CE1-CE3 4.16Å; F541-W564 HydrophobicContact CE1-CZ3 4.05Å; F541-W564 HydrophobicContact CE2-CE3 4.09Å; F541-W564 AromaticContact CG-CE3 3.87Å; F541-W564 HydrophobicContact CG-CE3 3.87Å; F541-W564 HydrophobicContact CG-CZ3 4.49Å; F541-W564 HydrophobicContact CZ-CE3 4.2Å; F541-W564 HydrophobicContact CZ-CZ3 4.28Å; F541-L565 HydrophobicContact CE2-CD1 3.68Å; F541-L565 HydrophobicContact CE2-CG 4.44Å; F541-L565 HydrophobicContact CZ-CD1 3.88Å
542	I	98.7	Very high	97.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.6	-43.1	178	-63.7	-64.5	0	0	0	111.9	L442 L526 F538 L539 D540 K544 C545 L546	L442-I542 HydrophobicContact CB-CD1 3.83Å; L442-I542 HydrophobicContact CD1-CD1 4.47Å; L526-I542 HydrophobicContact CD1-CG2 3.98Å; L526-I542 HydrophobicContact CD2-CB 4.39Å; L526-I542 HydrophobicContact CD2-CG2 4.21Å; F538-I542 HydrophobicContact CD1-CG1 4.27Å; F538-I542 HydrophobicContact CD2-CG1 4.24Å; F538-I542 HydrophobicContact CE1-CD1 4.33Å; F538-I542 HydrophobicContact CE1-CG1 3.78Å; F538-I542 HydrophobicContact CE2-CD1 3.8Å; F538-I542 HydrophobicContact CE2-CG1 3.79Å; F538-I542 HydrophobicContact CG-CG1 4.5Å; F538-I542 HydrophobicContact CZ-CD1 3.63Å; F538-I542 HydrophobicContact CZ-CG1 3.55Å; F538-I542 WeakPolarHBondContact O-CG1 3.44Å; F538-I542 PolarHBondContact O-N 3.41Å; L539-I542 PolarHBondContact O-N 3.09Å; D540-I542 VanDerWaalsContact C-N 3.33Å; D540-I542 PolarHBondContact O-N 3.49Å; I542-K544 PolarHBondContact O-N 3.02Å; I542-C545 PolarHBondContact O-N 3.31Å; I542-L546 HydrophobicContact CG2-CD1 3.73Å; I542-L546 HydrophobicContact CG2-CG 4.28Å; I542-L546 WeakPolarHBondContact O-CB 3.49Å; I542-L546 WeakPolarHBondContact O-CG 3.35Å; I542-L546 PolarHBondContact O-N 2.93Å
543	R	98.5	Very high	97.8	Very high	114 Å²	114	47.1 Å²	47.1	43%	0.43	22%	0.224	S	C	.	.	H	α-helix	trans	-57.9	-35.8	175.1	-73.7	179.7	-166	103.1	-5.9	112.8	L526 L539 D540 L546 R547	L526-R543 HydrophobicContact CD2-CG 3.63Å; L539-R543 VanDerWaalsContact C-NH1 3.33Å; L539-R543 VanDerWaalsContact O-CG 3.32Å; L539-R543 WeakPolarHBondContact O-CG 3.49Å; L539-R543 PolarHBondContact O-N 2.85Å; D540-R543 PolarHBondContact O-N 3.5Å; R543-L546 CarbonylContact O-C 3.25Å; R543-R547 PolarHBondContact O-N 3.48Å
544	K	98.6	Very high	97.9	Very high	70 Å²	70	46.8 Å²	46.8	30%	0.304	22%	0.22	S	C	.	.	H	α-helix	trans	-79.6	-24.7	179.6	-75.5	165.5	170.8	162.9	0	113.4	D540 F541 I542 R553 M554 H562	D540-K544 VanDerWaalsContact CG-NZ 3.26Å; D540-K544 WeakPolarHBondContact O-CB 3.38Å; D540-K544 WeakPolarHBondContact O-CG 3.37Å; D540-K544 PolarHBondContact O-N 3.1Å; D540-K544 WeakPolarHBondContact OD1-CD 3.38Å; D540-K544 WeakPolarHBondContact OD1-CE 3.42Å; D540-K544 IonicContact OD1-NZ 3.18Å; D540-K544 PolarHBondContact OD1-NZ 3.13Å; D540-K544 VanDerWaalsContact OD1-NZ 3.14Å; D540-K544 IonicContact OD2-NZ 2.96Å; D540-K544 PolarHBondContact OD2-NZ 3.06Å; F541-K544 PolarHBondContact O-N 3.2Å; I542-K544 PolarHBondContact O-N 3.02Å; K544-R553 WeakPolarHBondContact O-CA 3.26Å; K544-M554 HydrophobicContact CB-CB 4.18Å; K544-M554 HydrophobicContact CB-CE 3.31Å; K544-M554 HydrophobicContact CD-CE 4.06Å; K544-M554 HydrophobicContact CG-CE 4.35Å; K544-M554 PolarHBondContact O-N 2.83Å; K544-H562 VanDerWaalsContact CD-NE2 3.28Å; K544-H562 WeakPolarHBondContact CD-NE2 3.49Å; K544-H562 PolarHBondContact NZ-NE2 3.1Å
545	C	98.8	Very high	98.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-74	-38.8	166.1	-64	0	0	0	0	111.8	F541 I542 R547 R553	F541-C545 PolarHBondContact O-N 3.3Å; F541-C545 VanDerWaalsContact O-N 3.09Å; F541-C545 PolarHBondContact O-SG 2.9Å; F541-C545 VanDerWaalsContact O-SG 3.37Å; I542-C545 PolarHBondContact O-N 3.31Å; C545-R547 PolarHBondContact O-N 3.33Å; C545-R553 WeakPolarHBondContact O-CD 3.41Å
546	L	98.7	Very high	98.2	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.026	19%	0.188	C	C	.	.	S	Bend	trans	-97.3	41.1	-174.9	-56.8	-179	0	0	0	113.2	W436 I451 F452 L468 I542 R543	W436-L546 HydrophobicContact CD2-CD2 3.77Å; W436-L546 HydrophobicContact CE3-CB 4.34Å; W436-L546 HydrophobicContact CE3-CD2 3.89Å; W436-L546 HydrophobicContact CG-CD2 4.23Å; W436-L546 HydrophobicContact CH2-CB 4.47Å; W436-L546 HydrophobicContact CH2-CD2 4.41Å; W436-L546 HydrophobicContact CZ2-CD2 4.3Å; W436-L546 HydrophobicContact CZ3-CB 4.06Å; W436-L546 HydrophobicContact CZ3-CD2 4.21Å; I451-L546 HydrophobicContact CD1-CD1 4.14Å; F452-L546 HydrophobicContact CE2-CD1 4.08Å; F452-L546 HydrophobicContact CE2-CD2 4.32Å; F452-L546 HydrophobicContact CZ-CD1 4.14Å; L468-L546 HydrophobicContact CD1-CB 4.39Å; L468-L546 VanDerWaalsContact CD1-O 3.31Å; L468-L546 WeakPolarHBondContact CD1-O 3.46Å; I542-L546 HydrophobicContact CG2-CD1 3.73Å; I542-L546 HydrophobicContact CG2-CG 4.28Å; I542-L546 WeakPolarHBondContact O-CB 3.49Å; I542-L546 WeakPolarHBondContact O-CG 3.35Å; I542-L546 PolarHBondContact O-N 2.93Å; R543-L546 CarbonylContact O-C 3.25Å
547	R	98.5	Very high	98.2	Very high	105 Å²	105	42.7 Å²	42.7	40%	0.396	19%	0.19	S	C	.	.			trans	-73.6	142.6	170.6	-70	-72.8	-179.5	144.1	-8.3	110.9	R543 C545 E552 R553	R543-R547 PolarHBondContact O-N 3.48Å; C545-R547 PolarHBondContact O-N 3.33Å; R547-E552 HydrophobicContact CB-CB 3.93Å; R547-E552 HydrophobicContact CG-CB 4.01Å; R547-E552 IonicContact NH1-OE2 2.72Å; R547-E552 PolarHBondContact NH1-OE2 3.1Å; R547-E552 VanDerWaalsContact NH1-OE2 3.07Å; R547-R553 HydrophobicContact CB-CG 3.77Å; R547-R553 PolarHBondContact O-NE 2.87Å; R547-R553 PolarHBondContact O-NH2 3.39Å
548	W	98.4	Very high	98.2	Very high	21 Å²	21	46.4 Å²	46.4	8%	0.08	21%	0.206	C	C	.	.	S	Bend	trans	-59.1	-62.3	174.2	-82.2	114.4	0	0	0	111	P421 L461 I464 I465 L468 G469 P471 P472 L475 R553	P421-W548 HydrophobicContact CB-CE3 3.7Å; P421-W548 HydrophobicContact CB-CZ3 3.51Å; P421-W548 HydrophobicContact CG-CE3 3.88Å; P421-W548 HydrophobicContact CG-CZ3 4.17Å; L461-W548 HydrophobicContact CD1-CH2 3.98Å; L461-W548 HydrophobicContact CD1-CZ3 4Å; I464-W548 HydrophobicContact CB-CH2 4.22Å; I464-W548 HydrophobicContact CG2-CH2 3.45Å; I464-W548 VanDerWaalsContact CG2-CH2 3.45Å; I464-W548 HydrophobicContact CG2-CZ2 3.7Å; I464-W548 HydrophobicContact CG2-CZ3 3.93Å; I465-W548 HydrophobicContact CG1-CH2 3.74Å; I465-W548 HydrophobicContact CG1-CZ2 3.91Å; L468-W548 HydrophobicContact CB-CZ2 4.25Å; L468-W548 PolarHBondContact O-NE1 3.2Å; G469-W548 WeakPolarHBondContact O-CZ2 3.28Å; P471-W548 HydrophobicContact CB-CD2 3.76Å; P471-W548 HydrophobicContact CB-CE3 3.7Å; P471-W548 HydrophobicContact CB-CG 4.27Å; P471-W548 HydrophobicContact CB-CH2 4.24Å; P471-W548 HydrophobicContact CB-CZ2 4.3Å; P471-W548 HydrophobicContact CB-CZ3 3.94Å; P471-W548 HydrophobicContact CG-CH2 4.33Å; P471-W548 HydrophobicContact CG-CZ3 4.36Å; P472-W548 HydrophobicContact CG-CB 4.44Å; L475-W548 HydrophobicContact CD2-CB 4.03Å; L475-W548 HydrophobicContact CD2-CE3 4.48Å; W548-R553 PolarHBondContact O-NH2 2.75Å
549	T	97.9	Very high	98.2	Very high	25 Å²	25	46.4 Å²	46.4	15%	0.153	21%	0.206	C	C	.	.	S	Bend	trans	-61.2	121.9	176.5	-44.2	0	0	0	0	110.4	E551 E552	T549-E551 HydrophobicContact CG2-CB 4.32Å; T549-E551 WeakPolarHBondContact CG2-OE2 3.47Å; T549-E551 PolarHBondContact O-N 3.37Å; T549-E552 WeakPolarHBondContact CB-OE1 3.45Å; T549-E552 HydrophobicContact CG2-CG 4.1Å; T549-E552 PolarHBondContact O-N 3.47Å; T549-E552 VanDerWaalsContact O-N 3.16Å; T549-E552 PolarHBondContact OG1-OE1 3.02Å
550	P	98	Very high	98.2	Very high	8 Å²	8	48.8 Å²	48.8	5%	0.052	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-57.3	-37.3	178.7	-25.6	34.9	0	0	0	113.3	E422 P432 E552 R553	E422-P550 HydrophobicContact CB-CG 4.22Å; E422-P550 HydrophobicContact CG-CG 4.11Å; P432-P550 HydrophobicContact CB-CB 4.03Å; P432-P550 WeakPolarHBondContact CB-O 3Å; P432-P550 HydrophobicContact CG-CB 4.18Å; P432-P550 WeakPolarHBondContact CG-O 3.39Å; P550-E552 VanDerWaalsContact C-N 3.28Å; P550-E552 PolarHBondContact O-N 3.06Å; P550-R553 WeakPolarHBondContact O-CB 3.49Å; P550-R553 PolarHBondContact O-N 3.24Å
551	E	96.9	Very high	98.1	Very high	149 Å²	149	53 Å²	53	70%	0.696	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-73.1	-15.9	-178.5	-61.4	68.9	-150.9	0	0	113.4	T549	T549-E551 HydrophobicContact CG2-CB 4.32Å; T549-E551 WeakPolarHBondContact CG2-OE2 3.47Å; T549-E551 PolarHBondContact O-N 3.37Å
552	E	97.5	Very high	98.1	Very high	93 Å²	93	54 Å²	54	44%	0.435	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-89.1	-9.7	172.8	-70.8	174.4	-131.1	0	0	112.8	R547 T549 P550	R547-E552 HydrophobicContact CB-CB 3.93Å; R547-E552 HydrophobicContact CG-CB 4.01Å; R547-E552 IonicContact NH1-OE2 2.72Å; R547-E552 PolarHBondContact NH1-OE2 3.1Å; R547-E552 VanDerWaalsContact NH1-OE2 3.07Å; T549-E552 WeakPolarHBondContact CB-OE1 3.45Å; T549-E552 HydrophobicContact CG2-CG 4.1Å; T549-E552 PolarHBondContact O-N 3.47Å; T549-E552 VanDerWaalsContact O-N 3.16Å; T549-E552 PolarHBondContact OG1-OE1 3.02Å; P550-E552 VanDerWaalsContact C-N 3.28Å; P550-E552 PolarHBondContact O-N 3.06Å
553	R	98.3	Very high	98	Very high	10 Å²	10	58.8 Å²	58.8	4%	0.038	26%	0.259	C	S	.	.	S	Bend	trans	-74	137.9	-177.6	-67.9	-179.8	-158.3	142.1	16.4	110.8	E422 P432 K544 C545 R547 W548 P550 T555	E422-R553 IonicContact OE1-CZ 2.86Å; E422-R553 IonicContact OE1-NH1 3.23Å; E422-R553 PolarHBondContact OE1-NH1 3.43Å; E422-R553 IonicContact OE1-NH2 3.11Å; E422-R553 PolarHBondContact OE1-NH2 3.24Å; E422-R553 IonicContact OE2-CZ 2.66Å; E422-R553 IonicContact OE2-NH1 3.17Å; E422-R553 PolarHBondContact OE2-NH1 3.39Å; E422-R553 IonicContact OE2-NH2 3.14Å; E422-R553 PolarHBondContact OE2-NH2 2.81Å; P432-R553 HydrophobicContact CB-CB 4.36Å; P432-R553 WeakPolarHBondContact O-CD 3.29Å; P432-R553 PolarHBondContact O-NH1 3.34Å; K544-R553 WeakPolarHBondContact O-CA 3.26Å; C545-R553 WeakPolarHBondContact O-CD 3.41Å; R547-R553 HydrophobicContact CB-CG 3.77Å; R547-R553 PolarHBondContact O-NE 2.87Å; R547-R553 PolarHBondContact O-NH2 3.39Å; W548-R553 PolarHBondContact O-NH2 2.75Å; P550-R553 WeakPolarHBondContact O-CB 3.49Å; P550-R553 PolarHBondContact O-N 3.24Å; R553-T555 PolarHBondContact O-N 2.92Å
554	M	98.4	Very high	97.9	Very high	12 Å²	12	53.3 Å²	53.3	6%	0.059	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-53	123.3	172.4	-165.1	-164.9	-48.6	0	0	110.8	M435 F541 K544 E558 A559	M435-M554 WeakPolarHBondContact CE-O 3.35Å; M435-M554 WeakPolarHBondContact CG-O 3.5Å; F541-M554 HydrophobicContact CD2-CE 3.77Å; F541-M554 HydrophobicContact CD2-SD 4.12Å; F541-M554 HydrophobicContact CE2-CE 4.01Å; F541-M554 HydrophobicContact CE2-SD 3.77Å; F541-M554 HydrophobicContact CG-CE 4.06Å; F541-M554 HydrophobicContact CZ-SD 4.24Å; F541-M554 WeakPolarHBondContact O-CE 3.32Å; K544-M554 HydrophobicContact CB-CB 4.18Å; K544-M554 HydrophobicContact CB-CE 3.31Å; K544-M554 HydrophobicContact CD-CE 4.06Å; K544-M554 HydrophobicContact CG-CE 4.35Å; K544-M554 PolarHBondContact O-N 2.83Å; M554-E558 HydrophobicContact CG-CB 3.82Å; M554-A559 HydrophobicContact CG-CB 4.27Å; M554-A559 WeakPolarHBondContact SD-CA 3.41Å; M554-A559 HydrophobicContact SD-CB 3.43Å; M554-A559 WeakPolarHBondContact SD-CB 3.4Å
555	T	98.7	Very high	97.7	Very high	43 Å²	43	51.1 Å²	51.1	26%	0.264	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-74.3	160.8	170.4	64.4	0	0	0	0	111	R553 R557 E558 A559	R553-T555 PolarHBondContact O-N 2.92Å; T555-R557 PolarHBondContact O-N 3.07Å; T555-E558 VanDerWaalsContact CB-OE2 3.31Å; T555-E558 WeakPolarHBondContact CB-OE2 3.47Å; T555-E558 WeakPolarHBondContact CG2-OE2 3.41Å; T555-E558 PolarHBondContact N-OE2 3.21Å; T555-E558 PolarHBondContact O-N 3.28Å; T555-E558 VanDerWaalsContact OG1-CD 3.29Å; T555-E558 WeakPolarHBondContact OG1-CG 3.37Å; T555-E558 PolarHBondContact OG1-N 3Å; T555-E558 PolarHBondContact OG1-OE2 3.04Å; T555-A559 PolarHBondContact O-N 3.31Å
556	P	98.5	Very high	97.3	Very high	4 Å²	4	60 Å²	60	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-55.4	-36.7	176.5	-26.4	34.4	0	0	0	113.6	L363 L366 D367 H370 M435 E558 A559 F560	L363-P556 HydrophobicContact CD2-CB 4.15Å; L366-P556 HydrophobicContact CB-CB 4.19Å; L366-P556 HydrophobicContact CB-CG 3.83Å; D367-P556 HydrophobicContact CB-CB 3.75Å; H370-P556 HydrophobicContact CB-CG 4.11Å; M435-P556 HydrophobicContact CG-CG 4.21Å; M435-P556 HydrophobicContact SD-CB 4.4Å; M435-P556 HydrophobicContact SD-CG 3.76Å; P556-E558 VanDerWaalsContact C-N 3.32Å; P556-E558 PolarHBondContact O-N 2.95Å; P556-A559 WeakPolarHBondContact O-CB 3.44Å; P556-A559 PolarHBondContact O-N 3.43Å; P556-F560 VanDerWaalsContact O-CD2 3.23Å; P556-F560 WeakPolarHBondContact O-CD2 3.42Å; P556-F560 PolarHBondContact O-N 3.23Å
557	R	97.2	Very high	96.3	Very high	163 Å²	163	63.5 Å²	63.5	62%	0.615	28%	0.276	S	S	*	.	H	α-helix	trans	-71.5	-24.6	179.1	-163.3	175.3	-175.4	-164.7	2.5	113.4	T555 K561	T555-R557 PolarHBondContact O-N 3.07Å; R557-K561 WeakPolarHBondContact O-CG 3.44Å
558	E	98.1	Very high	94.8	Very high	95 Å²	95	67.9 Å²	67.9	44%	0.444	30%	0.298	S	S	.	.	H	α-helix	trans	-82.7	-33.3	171.2	-69.2	162.4	132	0	0	111.4	M554 T555 P556 F560 K561 H562	M554-E558 HydrophobicContact CG-CB 3.82Å; T555-E558 VanDerWaalsContact CB-OE2 3.31Å; T555-E558 WeakPolarHBondContact CB-OE2 3.47Å; T555-E558 WeakPolarHBondContact CG2-OE2 3.41Å; T555-E558 PolarHBondContact N-OE2 3.21Å; T555-E558 PolarHBondContact O-N 3.28Å; T555-E558 VanDerWaalsContact OG1-CD 3.29Å; T555-E558 WeakPolarHBondContact OG1-CG 3.37Å; T555-E558 PolarHBondContact OG1-N 3Å; T555-E558 PolarHBondContact OG1-OE2 3.04Å; P556-E558 VanDerWaalsContact C-N 3.32Å; P556-E558 PolarHBondContact O-N 2.95Å; E558-F560 VanDerWaalsContact C-N 3.35Å; E558-F560 PolarHBondContact O-N 3.05Å; E558-K561 CarbonylContact O-C 3.49Å; E558-K561 WeakPolarHBondContact O-CA 3.22Å; E558-K561 WeakPolarHBondContact O-CB 3.06Å; E558-K561 PolarHBondContact O-N 2.97Å; E558-H562 PolarHBondContact O-N 3.24Å
559	A	98.4	Very high	93	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59	-43.9	174.3	0	0	0	0	0	112.4	L363 M435 F541 M554 T555 P556 K561 H562 L565	L363-A559 HydrophobicContact CD1-CB 3.54Å; L363-A559 HydrophobicContact CD2-CB 3.58Å; L363-A559 HydrophobicContact CG-CB 4.22Å; M435-A559 HydrophobicContact CE-CB 4.11Å; F541-A559 HydrophobicContact CE2-CB 3.97Å; F541-A559 HydrophobicContact CZ-CB 3.99Å; M554-A559 HydrophobicContact CG-CB 4.27Å; M554-A559 WeakPolarHBondContact SD-CA 3.41Å; M554-A559 HydrophobicContact SD-CB 3.43Å; M554-A559 WeakPolarHBondContact SD-CB 3.4Å; T555-A559 PolarHBondContact O-N 3.31Å; P556-A559 WeakPolarHBondContact O-CB 3.44Å; P556-A559 PolarHBondContact O-N 3.43Å; A559-K561 PolarHBondContact O-N 3.37Å; A559-H562 VanDerWaalsContact O-CB 3.26Å; A559-H562 WeakPolarHBondContact O-CB 3.39Å; A559-H562 PolarHBondContact O-N 3.45Å; A559-L565 WeakPolarHBondContact O-CD1 3.09Å
560	F	96.9	Very high	90.9	Very high	59 Å²	59	75.8 Å²	75.8	26%	0.259	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.6	171.5	-76.5	-62.6	0	0	0	114.4	H360 L363 V364 D367 P556 E558	H360-F560 AromaticContact CE1-CE1 3.93Å; H360-F560 AromaticContact NE2-CE1 3.87Å; L363-F560 HydrophobicContact CB-CD2 4.5Å; L363-F560 HydrophobicContact CB-CE1 4Å; L363-F560 HydrophobicContact CB-CE2 3.8Å; L363-F560 HydrophobicContact CB-CZ 3.51Å; V364-F560 HydrophobicContact CB-CZ 4.34Å; V364-F560 HydrophobicContact CG2-CE1 4.12Å; V364-F560 HydrophobicContact CG2-CZ 3.63Å; D367-F560 HydrophobicContact CB-CE2 3.96Å; P556-F560 VanDerWaalsContact O-CD2 3.23Å; P556-F560 WeakPolarHBondContact O-CD2 3.42Å; P556-F560 PolarHBondContact O-N 3.23Å; E558-F560 VanDerWaalsContact C-N 3.35Å; E558-F560 PolarHBondContact O-N 3.05Å
561	K	96.5	Very high	88.6	Confident	137 Å²	137	84.7 Å²	84.7	60%	0.596	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-14.5	176.4	-63.9	173.8	-178.1	-179.8	0	112.9	R557 E558 A559 R566	R557-K561 WeakPolarHBondContact O-CG 3.44Å; E558-K561 CarbonylContact O-C 3.49Å; E558-K561 WeakPolarHBondContact O-CA 3.22Å; E558-K561 WeakPolarHBondContact O-CB 3.06Å; E558-K561 PolarHBondContact O-N 2.97Å; A559-K561 PolarHBondContact O-N 3.37Å; K561-R566 WeakPolarHBondContact O-CD 3.02Å
562	H	98	Very high	86.3	Confident	20 Å²	20	81.6 Å²	81.6	9%	0.093	38%	0.377	C	S	.	.	S	Bend	trans	-65.8	141.3	-174.9	-152.5	-85.6	0	0	0	111.9	D540 F541 K544 E558 A559 W564 L565 R566	D540-H562 IonicContact OD2-CE1 2.72Å; D540-H562 PolarHBondContact OD2-CE1 3.33Å; D540-H562 IonicContact OD2-NE2 2.8Å; D540-H562 PolarHBondContact OD2-NE2 2.93Å; F541-H562 HydrophobicContact CD2-CB 3.77Å; F541-H562 AromaticContact CD2-CG 3.58Å; F541-H562 AromaticContact CD2-ND1 3.62Å; F541-H562 HydrophobicContact CE2-CB 3.95Å; K544-H562 VanDerWaalsContact CD-NE2 3.28Å; K544-H562 WeakPolarHBondContact CD-NE2 3.49Å; K544-H562 PolarHBondContact NZ-NE2 3.1Å; E558-H562 PolarHBondContact O-N 3.24Å; A559-H562 VanDerWaalsContact O-CB 3.26Å; A559-H562 WeakPolarHBondContact O-CB 3.39Å; A559-H562 PolarHBondContact O-N 3.45Å; H562-W564 VanDerWaalsContact C-N 3.29Å; H562-W564 PolarHBondContact O-N 3.15Å; H562-L565 PolarHBondContact O-N 3.39Å; H562-R566 PolarHBondContact O-N 3.06Å
563	E	96.5	Very high	84.2	Confident	101 Å²	101	80.1 Å²	80.1	47%	0.472	38%	0.376	S	S	.	.	H	α-helix	trans	-56.4	-42.5	-174.5	-167.6	-143	125.8	0	0	112	V537 L565 R566 R567	V537-E563 HydrophobicContact CG1-CB 3.83Å; V537-E563 HydrophobicContact CG1-CG 4.32Å; E563-L565 PolarHBondContact O-N 3.48Å; E563-L565 VanDerWaalsContact O-N 3.11Å; E563-R566 CarbonylContact O-C 3.59Å; E563-R566 PolarHBondContact O-N 2.9Å; E563-R567 WeakPolarHBondContact O-CG 3.36Å; E563-R567 PolarHBondContact O-N 3.23Å; E563-R567 IonicContact OE1-CZ 2.79Å; E563-R567 IonicContact OE1-NE 2.7Å; E563-R567 PolarHBondContact OE1-NE 2.97Å; E563-R567 IonicContact OE1-NH2 2.76Å; E563-R567 PolarHBondContact OE1-NH2 3.41Å
564	W	97.1	Very high	82.5	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-49.6	-39.6	176.9	-174.4	66.4	0	0	0	114	L352 V355 R356 A359 L442 V537 F538 F541 H562	L352-W564 HydrophobicContact CD1-CZ2 3.82Å; L352-W564 HydrophobicContact CG-CZ2 4.2Å; V355-W564 HydrophobicContact CG1-CH2 4.26Å; R356-W564 HydrophobicContact CB-CH2 3.94Å; R356-W564 HydrophobicContact CB-CZ2 3.68Å; R356-W564 VanDerWaalsContact CD-O 3.22Å; R356-W564 WeakPolarHBondContact CD-O 3.2Å; R356-W564 HydrophobicContact CG-CD2 4.4Å; R356-W564 HydrophobicContact CG-CH2 4.21Å; R356-W564 HydrophobicContact CG-CZ2 4.06Å; R356-W564 HydrophobicContact CG-CZ3 4.45Å; R356-W564 PolarHBondContact NE-O 2.94Å; A359-W564 HydrophobicContact CB-CH2 3.71Å; A359-W564 HydrophobicContact CB-CZ3 3.52Å; L442-W564 HydrophobicContact CD1-CH2 4.06Å; L442-W564 HydrophobicContact CD1-CZ3 3.85Å; V537-W564 HydrophobicContact CG1-CB 3.95Å; F538-W564 HydrophobicContact CB-CG 4.4Å; F538-W564 AromaticContact CD2-CD2 3.8Å; F538-W564 HydrophobicContact CD2-CD2 3.8Å; F538-W564 AromaticContact CD2-CE2 3.36Å; F538-W564 HydrophobicContact CD2-CE3 4.2Å; F538-W564 HydrophobicContact CD2-CG 4.38Å; F538-W564 AromaticContact CD2-CH2 3.86Å; F538-W564 HydrophobicContact CD2-CH2 3.86Å; F538-W564 AromaticContact CD2-CZ2 3.42Å; F538-W564 HydrophobicContact CD2-CZ2 3.42Å; F538-W564 VanDerWaalsContact CD2-CZ2 3.42Å; F538-W564 HydrophobicContact CD2-CZ3 4.22Å; F538-W564 AromaticContact CD2-NE1 3.64Å; F538-W564 AromaticContact CE2-CH2 3.71Å; F538-W564 HydrophobicContact CE2-CH2 3.71Å; F538-W564 AromaticContact CE2-CZ2 3.64Å; F538-W564 HydrophobicContact CE2-CZ2 3.64Å; F538-W564 HydrophobicContact CE2-CZ3 4.22Å; F538-W564 HydrophobicContact CG-CZ2 4.41Å; F538-W564 AromaticContact CG-NE1 3.98Å; F541-W564 HydrophobicContact CB-CB 4.39Å; F541-W564 AromaticContact CD1-CE3 3.99Å; F541-W564 HydrophobicContact CD1-CE3 3.99Å; F541-W564 HydrophobicContact CD1-CZ3 4.16Å; F541-W564 HydrophobicContact CD2-CB 4.33Å; F541-W564 AromaticContact CD2-CE3 3.91Å; F541-W564 HydrophobicContact CD2-CE3 3.91Å; F541-W564 HydrophobicContact CE1-CE3 4.16Å; F541-W564 HydrophobicContact CE1-CZ3 4.05Å; F541-W564 HydrophobicContact CE2-CE3 4.09Å; F541-W564 AromaticContact CG-CE3 3.87Å; F541-W564 HydrophobicContact CG-CE3 3.87Å; F541-W564 HydrophobicContact CG-CZ3 4.49Å; F541-W564 HydrophobicContact CZ-CE3 4.2Å; F541-W564 HydrophobicContact CZ-CZ3 4.28Å; H562-W564 VanDerWaalsContact C-N 3.29Å; H562-W564 PolarHBondContact O-N 3.15Å
565	L	94.7	Very high	80.2	Confident	23 Å²	23	87.6 Å²	87.6	12%	0.12	44%	0.437	C	S	.	.	H	α-helix	trans	-88.6	-29.9	178.2	-81.2	163.3	0	0	0	112.9	R356 A359 H360 L363 F541 A559 H562 E563 R567	R356-L565 HydrophobicContact CG-CD2 3.73Å; A359-L565 HydrophobicContact CB-CD2 4.41Å; H360-L565 HydrophobicContact CB-CD2 4.02Å; L363-L565 HydrophobicContact CD1-CD1 3.35Å; F541-L565 HydrophobicContact CE2-CD1 3.68Å; F541-L565 HydrophobicContact CE2-CG 4.44Å; F541-L565 HydrophobicContact CZ-CD1 3.88Å; A559-L565 WeakPolarHBondContact O-CD1 3.09Å; H562-L565 PolarHBondContact O-N 3.39Å; E563-L565 PolarHBondContact O-N 3.48Å; E563-L565 VanDerWaalsContact O-N 3.11Å; L565-R567 VanDerWaalsContact C-N 3.3Å; L565-R567 PolarHBondContact O-N 3.11Å
566	R	89.2	Confident	77.7	Confident	186 Å²	186	94.1 Å²	94.1	70%	0.702	46%	0.456	S	S	*	.	H	α-helix	trans	-72.6	-18.3	174.4	-69.6	-174.8	66.9	-166.5	0.3	114	K561 H562 E563 K568	K561-R566 WeakPolarHBondContact O-CD 3.02Å; H562-R566 PolarHBondContact O-N 3.06Å; E563-R566 CarbonylContact O-C 3.59Å; E563-R566 PolarHBondContact O-N 2.9Å; R566-K568 PolarHBondContact O-N 2.91Å
567	R	79.1	Confident	75	Confident	80 Å²	80	100.7 Å²	100.7	30%	0.302	49%	0.491	S	S	.	.	S	Bend	trans	-56.6	104	173.5	-81.2	171	-177.8	-175.2	-3.7	110.7	D535 V537 E563 L565 L569	D535-R567 IonicContact OD1-CZ 3.73Å; D535-R567 IonicContact OD1-NH1 3.47Å; D535-R567 PolarHBondContact OD1-NH1 2.96Å; D535-R567 IonicContact OD1-NH2 2.77Å; D535-R567 IonicContact OD2-NH1 3.6Å; D535-R567 PolarHBondContact OD2-NH1 3.38Å; V537-R567 VanDerWaalsContact CB-NH2 3.28Å; E563-R567 WeakPolarHBondContact O-CG 3.36Å; E563-R567 PolarHBondContact O-N 3.23Å; E563-R567 IonicContact OE1-CZ 2.79Å; E563-R567 IonicContact OE1-NE 2.7Å; E563-R567 PolarHBondContact OE1-NE 2.97Å; E563-R567 IonicContact OE1-NH2 2.76Å; E563-R567 PolarHBondContact OE1-NH2 3.41Å; L565-R567 VanDerWaalsContact C-N 3.3Å; L565-R567 PolarHBondContact O-N 3.11Å; R567-L569 PolarHBondContact O-N 3.39Å
568	K	67.1	Low	72.3	Confident	196 Å²	196	101.8 Å²	101.8	85%	0.852	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-49	135.3	169.4	-66.6	-178.4	-179.9	177.4	0	109	R566	R566-K568 PolarHBondContact O-N 2.91Å
569	L	60	Low	69.8	Low	95 Å²	95	102.1 Å²	102.1	50%	0.497	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-57.9	141.4	169.3	-70	168.2	0	0	0	108.6	P353 R567 K571	P353-L569 HydrophobicContact CB-CD2 4.47Å; R567-L569 PolarHBondContact O-N 3.39Å; L569-K571 PolarHBondContact O-N 3.44Å
570	P	54.6	Low	67	Low	117 Å²	117	106.9 Å²	106.9	76%	0.76	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-52.2	130.2	171.6	-25.1	34.3	0	0	0	109.6
571	K	48.1	Very low	64.3	Low	196 Å²	196	112.1 Å²	112.1	85%	0.852	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-61.1	140.4	168.3	-69.2	-172.2	-178.3	-175	0	107.6	L569	L569-K571 PolarHBondContact O-N 3.44Å
572	P	50.2	Low	62	Low	83 Å²	83	111.8 Å²	111.8	54%	0.539	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-56.9	148.7	165.8	27.5	-34.1	0	0	0	109	G574	P572-G574 PolarHBondContact O-N 3.45Å
573	P	52.4	Low	59.1	Low	63 Å²	63	115.9 Å²	115.9	41%	0.409	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-57.9	125.4	175.8	26.8	-34.7	0	0	0	109	H81 L82	H81-P573 HydrophobicContact CB-CG 4.49Å; H81-P573 WeakPolarHBondContact O-CD 3.21Å; H81-P573 WeakPolarHBondContact O-CG 3.34Å; L82-P573 HydrophobicContact CD2-CG 4.09Å; L82-P573 HydrophobicContact CG-CG 4.45Å
574	G	63.1	Low	56.5	Low	54 Å²	54	118.6 Å²	118.6	56%	0.557	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-62.9	159.5	173.5	0	0	0	0	0	111.2	P572 R576	P572-G574 PolarHBondContact O-N 3.45Å; G574-R576 PolarHBondContact O-N 3.01Å; G574-R576 VanDerWaalsContact O-N 3.11Å
575	P	49.7	Very low	53.7	Low	125 Å²	125	123.4 Å²	123.4	81%	0.812	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-57.7	120	172.8	25.8	-33.4	0	0	0	109.1	N577	P575-N577 PolarHBondContact O-N 2.66Å
576	R	45.4	Very low	51.1	Low	180 Å²	180	129.9 Å²	129.9	68%	0.679	71%	0.706	S	S	*	*			trans	-74.1	109.8	170	-77.9	-172.5	-86	-175.2	-4.5	107.4	S83 G574 M578	S83-R576 PolarHBondContact OG-NH2 3.15Å; G574-R576 PolarHBondContact O-N 3.01Å; G574-R576 VanDerWaalsContact O-N 3.11Å; R576-M578 PolarHBondContact O-N 3.21Å
577	N	42.7	Very low	48.8	Very low	141 Å²	141	126.5 Å²	126.5	75%	0.754	71%	0.707	S	S	*	*			trans	-59.3	104.6	169	-75	-2.1	0	0	0	108.5	P575 S579	P575-N577 PolarHBondContact O-N 2.66Å; N577-S579 PolarHBondContact O-N 3.14Å
578	M	40.7	Very low	46.9	Very low	186 Å²	186	129.5 Å²	129.5	92%	0.916	73%	0.727	S	S	*	*			trans	-80.5	65.1	168.8	-68.5	-152	68.4	0	0	109.6	R576 S580	R576-M578 PolarHBondContact O-N 3.21Å; M578-S580 PolarHBondContact O-N 3.22Å
579	S	45.8	Very low	45.7	Very low	102 Å²	102	126 Å²	126	71%	0.713	72%	0.718	S	S	*	*			trans	-68.6	120.8	166.6	-61.5	0	0	0	0	108.3	N577 N581	N577-S579 PolarHBondContact O-N 3.14Å; S579-N581 PolarHBondContact O-N 3.17Å
580	S	39	Very low	44.6	Very low	101 Å²	101	130.2 Å²	130.2	71%	0.706	73%	0.732	S	S	*	*			trans	-65.4	127.5	-176.8	50.1	0	0	0	0	112.5	M578	M578-S580 PolarHBondContact O-N 3.22Å
581	N	40.8	Very low	43.9	Very low	168 Å²	168	131.2 Å²	131.2	90%	0.898	74%	0.736	S	S	*	*			trans	-106	111.7	151.7	-89	-6.2	0	0	0	108	S579	S579-N581 PolarHBondContact O-N 3.17Å
582	V	46.9	Very low	43.2	Very low	130 Å²	130	126.7 Å²	126.7	79%	0.788	73%	0.725	S	S	*	*			trans	-73.8	134.1	176.5	176.3	0	0	0	0	109
583	S	38.9	Very low	42.8	Very low	106 Å²	106	131 Å²	131	74%	0.741	74%	0.737	S	S	*	*			trans	-68.7	127.3	176.3	52.2	0	0	0	0	111.3
584	N	41.5	Very low	41.9	Very low	158 Å²	158	133.2 Å²	133.2	85%	0.845	75%	0.75	S	S	*	*			trans	-116.6	97.5	171.8	-161.7	21.8	0	0	0	109.5
585	P	36.9	Very low	40.5	Very low	102 Å²	102	136.1 Å²	136.1	66%	0.662	76%	0.757	S	S	*	*			trans	-91.3	124.2	-177.8	33.3	-30.3	0	0	0	111.5
586	N	41.3	Very low	39.8	Very low	159 Å²	159	139.4 Å²	139.4	85%	0.85	76%	0.761	S	S	*	*			trans	-166.2	161.5	160.1	-110	-35.9	0	0	0	114.2
587	T	40.7	Very low	39.4	Very low	115 Å²	115	138.5 Å²	138.5	71%	0.706	77%	0.769	S	S	*	*			trans	82.4	74.9	158.9	-45	0	0	0	0	119.5
588	I	39.8	Very low	39.3	Very low	142 Å²	142	136.7 Å²	136.7	73%	0.728	77%	0.765	S	S	*	*				82.4	127.2	110.7	-77.9	170.6	0	0	0	122.5
589	N	40.6	Very low	39.3	Very low	124 Å²	124	135 Å²	135	66%	0.663	76%	0.755	S	S	*	*			trans	58.7	116.1	150.2	-71.8	-13.2	0	0	0	120.7
590	K	36.8	Very low	38.8	Very low	182 Å²	182	136.7 Å²	136.7	79%	0.791	76%	0.756	S	S	*	*				94.8	122.4	73.1	-84.1	-177.1	179.3	-177.2	0	112.5
591	V	40.1	Very low	38.8	Very low	138 Å²	138	140 Å²	140	84%	0.836	76%	0.764	S	S	*	*				-173.2	148.3	104.4	149.5	0	0	0	0	109.1
592	T	34.7	Very low	38.4	Very low	102 Å²	102	136.9 Å²	136.9	63%	0.626	76%	0.755	S	S	*	*			trans	-82.4	157.1	177.7	33.5	0	0	0	0	113
593	H	41	Very low	37.9	Very low	172 Å²	172	136.5 Å²	136.5	80%	0.796	75%	0.754	S	S	*	*				-178.3	-176.1	107	-94.3	-62.2	0	0	0	113
594	T	34.2	Very low	37.8	Very low	111 Å²	111	136.8 Å²	136.8	68%	0.681	75%	0.751	S	S	*	*			trans	-126.7	144.5	-140	-17.3	0	0	0	0	113.7
595	T	32.1	Very low	37.5	Very low	115 Å²	115	136.2 Å²	136.2	71%	0.706	75%	0.746	S	S	*	*			trans	18.7	128	151.8	55.2	0	0	0	0	120.4
596	Q	37.1	Very low	37.5	Very low	193 Å²	193	137.3 Å²	137.3	90%	0.902	76%	0.756	S	S	*	*				-171.6	170.5	102.6	-98.9	175.7	28.1	0	0	113.4
597	L	36	Very low	37	Very low	162 Å²	162	136.2 Å²	136.2	85%	0.848	76%	0.755	S	S	*	*			trans	-82.3	172.7	177.6	-90.8	145.2	0	0	0	110.5
598	P	40.4	Very low	36.8	Very low	103 Å²	103	135.8 Å²	135.8	67%	0.669	76%	0.764	S	S	*	*			cis	-160	-178.7	43.4	46.7	-24.2	0	0	0	121.7
599	H	40.2	Very low	36.3	Very low	151 Å²	151	134.1 Å²	134.1	70%	0.699	77%	0.765	S	S	*	*			trans	66.4	116.7	145.4	-72.3	-45.3	0	0	0	125.2
600	N	35.7	Very low	36.2	Very low	136 Å²	136	135.9 Å²	135.9	73%	0.727	77%	0.774	S	S	*	*				62.1	122.9	124	-55.7	3.9	0	0	0	122.1
601	I	39	Very low	35.9	Very low	170 Å²	170	134.1 Å²	134.1	87%	0.872	78%	0.779	S	S	*	*				-160.3	151.2	116.9	-99.9	155.2	0	0	0	108.7
602	S	32.9	Very low	35.6	Very low	104 Å²	104	133.7 Å²	133.7	73%	0.727	78%	0.777	S	S	*	*			trans	-89.8	172.5	178.3	-61	0	0	0	0	111.7
603	T	36.8	Very low	35.3	Very low	122 Å²	122	135 Å²	135	75%	0.748	78%	0.784	S	S	*	*				-176.4	132.7	85.1	-63.6	0	0	0	0	112.3
604	T	37	Very low	35	Very low	111 Å²	111	133 Å²	133	68%	0.681	79%	0.785	S	S	*	*			trans	50.4	114.1	160	60.4	0	0	0	0	124.6
605	I	33.9	Very low	34.8	Very low	146 Å²	146	134.9 Å²	134.9	75%	0.749	79%	0.789	S	S	*	*				53.6	117.3	115.8	-55.2	162.1	0	0	0	119.8
606	S	36.5	Very low	34.7	Very low	125 Å²	125	134.5 Å²	134.5	87%	0.874	79%	0.791	S	S	*	*				-160.9	143.5	118.2	-85.2	0	0	0	0	113.1
607	T	30.5	Very low	34.6	Very low	136 Å²	136	131.4 Å²	131.4	83%	0.834	79%	0.785	S	S	*	*			trans	-91	142.2	-165.4	49.4	0	0	0	0	114.9
608	A	36.5	Very low	34.2	Very low	107 Å²	107	131.2 Å²	131.2	88%	0.884	79%	0.785	S	S	*	*			trans	-156.5	117.8	145.4	0	0	0	0	0	111.1
609	S	30.9	Very low	34	Very low	107 Å²	107	132.1 Å²	132.1	75%	0.748	79%	0.789	S	S	*	*			trans	-111.7	142.8	174.1	52.3	0	0	0	0	110.8
610	N	38	Very low	33.4	Very low	160 Å²	160	130.4 Å²	130.4	86%	0.856	79%	0.794	S	S	*	*			trans	-179.8	112.2	148.4	-94.7	-30.5	0	0	0	110.7
611	T	30.5	Very low	33.3	Very low	145 Å²	145	131.1 Å²	131.1	89%	0.89	80%	0.796	S	S	*	*			trans	-114.7	106.9	176.3	-28.9	0	0	0	0	109.3
612	T	33.2	Very low	32.8	Very low	130 Å²	130	128.2 Å²	128.2	80%	0.798	79%	0.791	S	S	*	*			trans	-85.7	125.6	-177.1	-57.8	0	0	0	0	111.5	T614	T612-T614 PolarHBondContact O-N 2.88Å
613	T	29.9	Very low	32.8	Very low	128 Å²	128	130.9 Å²	130.9	79%	0.785	80%	0.795	S	S	*	*			trans	-79.7	113.5	-175.2	-22.8	0	0	0	0	112.5
614	T	33.2	Very low	32.7	Very low	131 Å²	131	132.4 Å²	132.4	80%	0.804	80%	0.799	S	S	*	*			trans	-94.3	118	167.3	36.8	0	0	0	0	110.7	T612 S616	T612-T614 PolarHBondContact O-N 2.88Å; T614-S616 PolarHBondContact O-N 3.04Å
615	I	31.3	Very low	32.4	Very low	151 Å²	151	132.1 Å²	132.1	77%	0.774	80%	0.802	S	S	*	*			trans	-86.5	108.6	179.2	-61.2	175.5	0	0	0	109.5
616	S	29.5	Very low	32.2	Very low	107 Å²	107	133.6 Å²	133.6	75%	0.748	81%	0.81	S	S	*	*			trans	-98.8	98.5	172.8	43.1	0	0	0	0	111.2	T614 N618	T614-S616 PolarHBondContact O-N 3.04Å; S616-N618 PolarHBondContact O-N 3.02Å
617	V	34.8	Very low	32	Very low	128 Å²	128	131.4 Å²	131.4	78%	0.776	81%	0.807	S	S	*	*			trans	-81.9	93.5	172.9	-97.8	0	0	0	0	110.9
618	N	28.4	Very low	31.9	Very low	157 Å²	157	134.8 Å²	134.8	84%	0.84	81%	0.81	S	S	*	*			trans	-85.2	132.2	160.2	-80.3	-16.7	0	0	0	109.4	S616	S616-N618 PolarHBondContact O-N 3.02Å
619	T	34.4	Very low	31.6	Very low	122 Å²	122	136.8 Å²	136.8	75%	0.748	81%	0.811	S	S	*	*			trans	-130.1	98.7	170.9	-47.6	0	0	0	0	109.3
620	S	29	Very low	31.5	Very low	116 Å²	116	140.7 Å²	140.7	81%	0.811	82%	0.817	S	S	*	*			trans	-80.9	127.4	174.5	52.6	0	0	0	0	110.6
621	I	33	Very low	31.1	Very low	151 Å²	151	138.9 Å²	138.9	77%	0.774	82%	0.817	S	S	*	*			trans	-125.5	125	165.3	-62.2	-178.3	0	0	0	108.1
622	S	28.8	Very low	31	Very low	108 Å²	108	143.5 Å²	143.5	76%	0.755	82%	0.818	S	S	*	*			trans	-78.9	146.7	-179.4	-47.7	0	0	0	0	111.4
623	I	33.3	Very low	30.9	Very low	161 Å²	161	143.9 Å²	143.9	83%	0.826	82%	0.82	S	S	*	*			trans	-132.6	126.6	166.5	-53.5	-179.3	0	0	0	107.8
624	N	33.3	Very low	31	Very low	154 Å²	154	143.1 Å²	143.1	82%	0.824	82%	0.82	S	S	*	*			trans	-81.1	163.8	178	-78.7	-13.8	0	0	0	111.8
625	S	30.7	Very low	30.8	Very low	105 Å²	105	144.8 Å²	144.8	73%	0.734	82%	0.816	S	S	*	*			trans	-79.2	145.9	-176.5	48.6	0	0	0	0	113.9
626	L	29.5	Very low	30.9	Very low	177 Å²	177	144.6 Å²	144.6	93%	0.927	82%	0.822	S	S	*	*				-174.9	167	115.6	-121.7	66.7	0	0	0	111.3
627	G	32.6	Very low	30.9	Very low	78 Å²	78	146.7 Å²	146.7	80%	0.804	82%	0.82	S	S	*	*			trans	117.4	89.2	165.8	0	0	0	0	0	116.2
628	K	29	Very low	30.7	Very low	208 Å²	208	147.3 Å²	147.3	90%	0.904	83%	0.828	S	S	*	*			trans	-85.5	135.1	162.4	-75.3	177.2	175.7	175	0	110
629	V	30.5	Very low	30.7	Very low	149 Å²	149	144.3 Å²	144.3	90%	0.903	83%	0.826	S	S	*	*			trans	-139.7	140.8	148.1	-177.4	0	0	0	0	108.3
630	Q	28.4	Very low	30.6	Very low	189 Å²	189	144.7 Å²	144.7	88%	0.883	83%	0.833	S	S	*	*			trans	-100.4	145.9	177.1	-64	169.2	-54.3	0	0	110.5
631	S	30.5	Very low	30.7	Very low	122 Å²	122	147.8 Å²	147.8	85%	0.853	83%	0.832	S	S	*	*			trans	-144.8	152.2	154.8	58.6	0	0	0	0	110.1
632	R	28.9	Very low	30.8	Very low	242 Å²	242	149 Å²	149	91%	0.913	84%	0.839	S	S	*	*			trans	-85.7	147.4	-167.1	-68.9	172	170.6	159.7	-5.9	112.1
633	V	29.6	Very low	30.9	Very low	137 Å²	137	151.2 Å²	151.2	83%	0.83	84%	0.843	S	S	*	*			trans	-107.1	118.7	157.9	175.4	0	0	0	0	108
634	S	32	Very low	30.9	Very low	113 Å²	113	146.7 Å²	146.7	79%	0.79	84%	0.836	S	S	*	*			trans	-84.9	118.5	172	-59.2	0	0	0	0	109.7
635	K	30.5	Very low	30.9	Very low	165 Å²	165	149.2 Å²	149.2	72%	0.717	84%	0.843	S	S	*	*			trans	-92.3	145.9	158.2	-76.5	-174.8	171.6	-170.1	0	109	E637	K635-E637 IonicContact NZ-OE1 2.85Å
636	T	32.7	Very low	30.7	Very low	147 Å²	147	147.9 Å²	147.9	90%	0.902	85%	0.846	S	S	*	*			trans	-121.7	114.5	155.3	30.6	0	0	0	0	108.3
637	E	29.2	Very low	30.7	Very low	151 Å²	151	145.3 Å²	145.3	71%	0.706	84%	0.841	S	S	*	*			trans	-97.2	139.8	167.4	-69	172.2	158.7	0	0	108	K635	K635-E637 IonicContact NZ-OE1 2.85Å
638	C	29.6	Very low	30.4	Very low	141 Å²	141	147.3 Å²	147.3	95%	0.953	84%	0.838	S	S	*	*			trans	-124.1	113.6	155.1	-81.5	0	0	0	0	107.4
639	A	28.5	Very low	30.6	Very low	95 Å²	95	145.7 Å²	145.7	79%	0.785	83%	0.833	S	S	*	*			trans	-138.2	109.3	176.3	0	0	0	0	0	109
640	S	34	Very low	30.3	Very low	129 Å²	129	147 Å²	147	90%	0.902	83%	0.829	S	S	*	*			trans	-91.3	109.5	170.3	39	0	0	0	0	109.4
641	K	30.5	Very low	30.6	Very low	182 Å²	182	145.7 Å²	145.7	79%	0.791	83%	0.827	S	S	*	*			trans	-86.1	142.4	164.6	-71	179.5	177.2	179	0	109.4
642	L	35.6	Very low	30.5	Very low	175 Å²	175	147.2 Å²	147.2	92%	0.916	82%	0.82	S	S	*	*			trans	-131.4	138.5	141.2	-75.2	177.1	0	0	0	108.3
643	N	31	Very low	30.7	Very low	155 Å²	155	142.4 Å²	142.4	83%	0.829	81%	0.813	S	S	*	*			trans	-93.1	165.5	168.7	-63.3	-14.3	0	0	0	108.3
644	G	32.6	Very low	30.9	Very low	67 Å²	67	140.9 Å²	140.9	69%	0.691	81%	0.808	S	S	*	*			trans	159	72.2	162.2	0	0	0	0	0	116.2
645	E	33.4	Very low	31	Very low	206 Å²	206	140.4 Å²	140.4	96%	0.963	81%	0.805	S	S	*	*			trans	54.8	-173.8	148.5	-67.1	166.3	174.8	0	0	117
646	G	26.8	Very low	31.2	Very low	78 Å²	78	138.3 Å²	138.3	80%	0.804	81%	0.806	S	S	*	*			trans	-169	172.9	-174.3	0	0	0	0	0	113
647	C	28.3	Very low	31.4	Very low	123 Å²	123	140.1 Å²	140.1	83%	0.831	80%	0.803	S	S	*	*			trans	-147.6	157.8	170.7	-160.9	0	0	0	0	110.7
648	V	26.1	Very low	31.7	Very low	120 Å²	120	136.7 Å²	136.7	73%	0.727	80%	0.801	S	S	*	*			trans	-100.4	136.7	178.3	173.3	0	0	0	0	108.9
649	H	33.6	Very low	32	Very low	174 Å²	174	134.5 Å²	134.5	81%	0.806	79%	0.793	S	S	*	*			trans	-147.8	129.1	155.7	-102.7	-73.3	0	0	0	112.2
650	Q	25.4	Very low	32.4	Very low	175 Å²	175	135.5 Å²	135.5	82%	0.818	79%	0.789	S	S	*	*			trans	-94.3	142.7	158.6	-58.3	167	-78.3	0	0	108.1
651	I	33.6	Very low	32.7	Very low	162 Å²	162	137 Å²	137	83%	0.831	78%	0.781	S	S	*	*			trans	-141.7	150.9	153.1	-61.5	-172.1	0	0	0	107.1
652	E	29.4	Very low	33	Very low	155 Å²	155	134.8 Å²	134.8	72%	0.724	78%	0.778	S	S	*	*			trans	-112.8	178.2	-164.9	-48	177.7	120.4	0	0	114.5
653	N	31.6	Very low	32.9	Very low	141 Å²	141	131 Å²	131	75%	0.754	77%	0.766	S	S	*	*			trans	71.3	144.7	148.7	-65.3	-37	0	0	0	117.7
654	S	34.3	Very low	33.1	Very low	105 Å²	105	128.6 Å²	128.6	73%	0.734	76%	0.76	S	S	*	*			cis	-165.2	158.4	23.8	46	0	0	0	0	113.8
655	S	33.3	Very low	33.2	Very low	103 Å²	103	132.3 Å²	132.3	72%	0.72	76%	0.764	S	S	*	*			trans	58.2	158	145.3	-137.4	0	0	0	0	120.3
656	V	35.3	Very low	33.2	Very low	121 Å²	121	126.6 Å²	126.6	73%	0.733	75%	0.748	S	S	*	*			cis	-152.6	140.7	22.1	-148.3	0	0	0	0	111.3
657	H	37.1	Very low	33.7	Very low	184 Å²	184	128.7 Å²	128.7	85%	0.852	75%	0.745	S	S	*	*			trans	34.5	153.1	145.4	-76	-109	0	0	0	123.7
658	A	35.9	Very low	33.9	Very low	80 Å²	80	132.4 Å²	132.4	66%	0.661	75%	0.747	S	S	*	*			cis	-151	144.9	-0.9	0	0	0	0	0	110
659	A	35.9	Very low	34.3	Very low	94 Å²	94	130.8 Å²	130.8	78%	0.777	75%	0.746	S	S	*	*				67.8	151.1	97.9	0	0	0	0	0	116.1
660	V	37.4	Very low	34.3	Very low	116 Å²	116	129.6 Å²	129.6	70%	0.703	75%	0.751	S	S	*	*			cis	-156.7	140.2	28.5	174.8	0	0	0	0	112
661	H	39.3	Very low	34.6	Very low	161 Å²	161	125.5 Å²	125.5	75%	0.745	75%	0.747	S	S	*	*			trans	52.2	162.2	159.5	-66.5	-38.1	0	0	0	120.9
662	N	36.4	Very low	35.2	Very low	136 Å²	136	122.6 Å²	122.6	73%	0.727	74%	0.739	S	S	*	*			cis	-170.7	178.4	-19.9	-96.6	-1.8	0	0	0	107
663	S	33.8	Very low	35.5	Very low	95 Å²	95	125.1 Å²	125.1	66%	0.664	74%	0.743	S	S	*	*			cis	-174.6	164.7	-41	-167.4	0	0	0	0	108.7
664	C	34.7	Very low	35.6	Very low	104 Å²	104	122.7 Å²	122.7	70%	0.703	74%	0.737	S	S	*	*			trans	66	127.4	170.4	-71.5	0	0	0	0	117.2
665	D	34.9	Very low	35.7	Very low	145 Å²	145	124.8 Å²	124.8	78%	0.775	74%	0.739	S	S	*	*				97.2	143	56.2	-79.6	-48.6	0	0	0	112.5
666	S	34.6	Very low	35.8	Very low	87 Å²	87	125.6 Å²	125.6	61%	0.608	74%	0.739	S	S	*	*			cis	-165	180	-11.4	60.7	0	0	0	0	112.5
667	T	36.4	Very low	35.7	Very low	122 Å²	122	124.1 Å²	124.1	75%	0.748	73%	0.734	S	S	*	*			trans	63.4	108.2	157.4	53.4	0	0	0	0	123.2
668	K	33.1	Very low	35.6	Very low	201 Å²	201	121.6 Å²	121.6	87%	0.874	73%	0.732	S	S	*	*				45.6	114.2	119.1	-75.8	-179.4	175.7	174.9	0	122.3
669	A	33.8	Very low	36	Very low	85 Å²	85	123 Å²	123	70%	0.702	74%	0.735	S	S	*	*				104.2	142.9	109	0	0	0	0	0	122.5
670	T	34.7	Very low	35.9	Very low	149 Å²	149	127 Å²	127	91%	0.914	74%	0.741	S	S	*	*			trans	74.2	149.3	160.7	20.5	0	0	0	0	119.9
671	A	30.8	Very low	35.8	Very low	90 Å²	90	125.9 Å²	125.9	74%	0.744	74%	0.744	S	S	*	*			trans	-112.5	-165.5	-177.1	0	0	0	0	0	108.6
672	P	45.7	Very low	35.6	Very low	101 Å²	101	124.2 Å²	124.2	66%	0.656	75%	0.745	S	S	*	*			cis	-142.8	-163.7	8.1	26.4	2.5	0	0	0	115.9
673	Y	36.3	Very low	35.6	Very low	208 Å²	208	125.2 Å²	125.2	82%	0.816	75%	0.749	S	S	*	*			trans	89.8	112.6	157	-67.1	-61.2	0	0	0	122.2
674	S	34.3	Very low	35.6	Very low	89 Å²	89	128 Å²	128	62%	0.622	75%	0.752	S	S	*	*				97.3	107.3	116.3	-68	0	0	0	0	125
675	I	35.5	Very low	35.9	Very low	149 Å²	149	128.8 Å²	128.8	76%	0.764	76%	0.755	S	S	*	*				67.2	139.9	128.7	-38.1	164	0	0	0	121.3
676	T	35.1	Very low	35.8	Very low	120 Å²	120	132.4 Å²	132.4	74%	0.736	76%	0.758	S	S	*	*			trans	104.2	115.8	145.5	4.2	0	0	0	0	122.9
677	S	33.9	Very low	35.8	Very low	90 Å²	90	133.3 Å²	133.3	63%	0.629	76%	0.764	S	S	*	*			trans	58.9	101.9	136.2	56.1	0	0	0	0	124.1
678	T	35.1	Very low	35.5	Very low	131 Å²	131	134.8 Å²	134.8	80%	0.804	77%	0.766	S	S	*	*				38.2	158.9	107.1	63.9	0	0	0	0	122
679	P	43.6	Very low	35.5	Very low	111 Å²	111	130.8 Å²	130.8	72%	0.721	76%	0.759	S	S	*	*				-139.5	-175.3	-52.2	41.8	-24.5	0	0	0	112.3
680	I	35.3	Very low	35.4	Very low	178 Å²	178	131.8 Å²	131.8	91%	0.913	76%	0.76	S	S	*	*			trans	-170.5	155.3	149.1	-105.1	150.1	0	0	0	109.8
681	A	34.3	Very low	35.2	Very low	91 Å²	91	131.3 Å²	131.3	75%	0.752	76%	0.757	S	S	*	*			trans	-152.8	146.4	-176.2	0	0	0	0	0	113.8
682	T	35.7	Very low	35.2	Very low	126 Å²	126	134.8 Å²	134.8	77%	0.773	76%	0.763	S	S	*	*			trans	-179.2	150.3	165.1	37.8	0	0	0	0	108.2
683	I	35.3	Very low	34.2	Very low	157 Å²	157	139.4 Å²	139.4	81%	0.805	77%	0.773	S	S	*	*			cis	-158.3	159.7	-6.6	-115	165.8	0	0	0	109.3
684	E	34	Very low	34	Very low	155 Å²	155	135.3 Å²	135.3	72%	0.724	78%	0.775	S	S	*	*			trans	-86.8	-175	176.9	-56.9	-175.4	157	0	0	114.3
685	P	42.4	Very low	33.8	Very low	119 Å²	119	135.8 Å²	135.8	77%	0.773	78%	0.784	S	S	*	*				-149.2	126.7	96	35.7	-17.1	0	0	0	119.1
686	R	32.8	Very low	33.3	Very low	221 Å²	221	133.8 Å²	133.8	83%	0.834	78%	0.783	S	S	*	*				46.3	134.2	126.6	-58.5	179.3	175.6	-173.6	-0.9	123.3
687	S	33	Very low	32.8	Very low	106 Å²	106	137.2 Å²	137.2	74%	0.741	79%	0.791	S	S	*	*				-178.9	142.8	109.4	45.3	0	0	0	0	115.5
688	I	31.2	Very low	32.5	Very low	154 Å²	154	140.4 Å²	140.4	79%	0.79	80%	0.798	S	S	*	*			trans	65.3	134.7	145.3	-70.9	169.6	0	0	0	118.2
689	T	32.3	Very low	32.3	Very low	117 Å²	117	143.9 Å²	143.9	72%	0.718	80%	0.798	S	S	*	*			cis	-160.4	-177.8	-4.7	21.2	0	0	0	0	111.4
690	S	31.5	Very low	31.5	Very low	105 Å²	105	144.2 Å²	144.2	73%	0.734	80%	0.798	S	S	*	*			trans	57.5	100.3	162.4	56.4	0	0	0	0	118.1
691	V	30.5	Very low	30.9	Very low	139 Å²	139	143.4 Å²	143.4	84%	0.842	80%	0.795	S	S	*	*				81.4	98.2	64.6	178	0	0	0	0	114.4
692	N	30.9	Very low	30.7	Very low	163 Å²	163	144.8 Å²	144.8	87%	0.872	80%	0.799	S	S	*	*				-152.4	153	128.7	-121.9	-28.8	0	0	0	109.9
693	K	26.4	Very low	30.4	Very low	198 Å²	198	147.8 Å²	147.8	86%	0.861	80%	0.804	S	S	*	*			trans	-139.6	174	-171.1	-103.2	-173.7	178.6	-178.8	0	111.5
694	S	30.5	Very low	30.1	Very low	123 Å²	123	148.2 Å²	148.2	86%	0.86	81%	0.807	S	S	*	*			trans	85.9	148.4	170.3	-50.6	0	0	0	0	115.7
695	A	29.8	Very low	29.8	Very low	98 Å²	98	146.4 Å²	146.4	81%	0.81	81%	0.806	S	S	*	*			cis	-132.8	158.2	5.6	0	0	0	0	0	113.1
696	S	26	Very low	29.4	Very low	108 Å²	108	146.6 Å²	146.6	76%	0.755	81%	0.808	S	S	*	*			trans	-118.8	152.4	176.2	-65	0	0	0	0	111.9
697	Q	24.9	Very low	29.3	Very low	191 Å²	191	144.4 Å²	144.4	89%	0.893	81%	0.807	S	S	*	*			trans	32.5	95.6	146.2	-64.8	176.3	-21.8	0	0	119.6
698	M	27.8	Very low	29.1	Very low	157 Å²	157	146.7 Å²	146.7	77%	0.773	81%	0.811	S	S	*	*			trans	-151.3	152.1	145.3	-74.5	-166.3	171.9	0	0	107.3
699	Y	29.8	Very low	28.9	Very low	205 Å²	205	148.3 Å²	148.3	80%	0.804	81%	0.812	S	S	*	*			cis	-134.9	-175.6	-1.4	-107.1	-57.7	0	0	0	109.7
700	T	26.6	Very low	28.7	Very low	118 Å²	118	150 Å²	150	72%	0.724	82%	0.815	S	S	*	*			trans	-106.2	152.6	179.3	49.9	0	0	0	0	114.1
701	N	24.3	Very low	28.2	Very low	160 Å²	160	149.9 Å²	149.9	86%	0.856	81%	0.81	S	S	*	*			trans	58.2	89.7	158.1	-63.9	-2	0	0	0	119
702	S	29.6	Very low	28	Very low	121 Å²	121	148.4 Å²	148.4	85%	0.846	80%	0.796	S	S	*	*			trans	-148.5	154.3	142.4	60.2	0	0	0	0	110.5
703	E	28.2	Very low	27.8	Very low	188 Å²	188	147 Å²	147	88%	0.879	79%	0.786	S	S	*	*			trans	-48.3	146.9	-158.6	-61.8	170.7	119.2	0	0	118.4	T705	E703-T705 PolarHBondContact O-N 2.98Å
704	I	29	Very low	27.8	Very low	166 Å²	166	141.1 Å²	141.1	85%	0.851	77%	0.767	S	S	*	*			trans	-85.3	106.6	176.5	-60.3	170.3	0	0	0	110.3
705	T	29.3	Very low	27.5	Very low	117 Å²	117	140 Å²	140	72%	0.718	76%	0.755	S	S	*	*			trans	-118.1	119.4	164.9	52.8	0	0	0	0	110.6	E703 E707	E703-T705 PolarHBondContact O-N 2.98Å; T705-E707 VanDerWaalsContact C-N 3.31Å; T705-E707 PolarHBondContact O-N 3.18Å
706	P	33.7	Very low	27.4	Very low	124 Å²	124	139.4 Å²	139.4	81%	0.805	74%	0.741	S	S	*	*			trans	-86.4	56.4	-168.1	35.2	-37.6	0	0	0	113.9
707	E	29.1	Very low	27.5	Very low	175 Å²	175	142.5 Å²	142.5	82%	0.818	74%	0.744	S	S	*	*			trans	-107.2	76.3	176.7	-65.5	-146.6	172.1	0	0	113.2	T705	T705-E707 VanDerWaalsContact C-N 3.31Å; T705-E707 PolarHBondContact O-N 3.18Å
708	N	30.7	Very low	27.7	Very low	153 Å²	153	136.2 Å²	136.2	82%	0.818	72%	0.721	S	S	*	*			trans	-143.9	66.2	163.6	-109.6	-50.8	0	0	0	111.4	I710	N708-I710 PolarHBondContact O-N 2.8Å
709	K	26.1	Very low	27.9	Very low	189 Å²	189	134.8 Å²	134.8	82%	0.822	72%	0.716	S	S	*	*			trans	-70.9	91.5	169.2	-79.6	177	178.4	163.8	0	109.9	T711	K709-T711 PolarHBondContact O-N 2.73Å; K709-T711 PolarHBondContact O-OG1 3.03Å
710	I	27.2	Very low	27.8	Very low	153 Å²	153	132.9 Å²	132.9	79%	0.785	72%	0.715	S	S	*	*			trans	-62.8	90.5	166	-58.9	179.3	0	0	0	108.3	N708 M712	N708-I710 PolarHBondContact O-N 2.8Å; I710-M712 VanDerWaalsContact C-N 3.28Å; I710-M712 PolarHBondContact O-N 2.72Å
711	T	22.9	Very low	27.9	Very low	102 Å²	102	131.4 Å²	131.4	63%	0.626	70%	0.702	S	S	*	*			trans	-84.9	77.6	-175.8	-55.1	0	0	0	0	108.1	K709 I713	K709-T711 PolarHBondContact O-N 2.73Å; K709-T711 PolarHBondContact O-OG1 3.03Å; T711-I713 VanDerWaalsContact C-N 3.26Å; T711-I713 HydrophobicContact CG2-CG1 4.01Å; T711-I713 PolarHBondContact O-N 3.26Å
712	M	25.9	Very low	28.3	Very low	108 Å²	108	130.6 Å²	130.6	53%	0.532	70%	0.696	S	S	.	*			trans	-60	92.9	161.2	-85.8	-81.7	-64.1	0	0	107.9	R288 I710 V714	R288-M712 PolarHBondContact NH1-SD 3.41Å; I710-M712 VanDerWaalsContact C-N 3.28Å; I710-M712 PolarHBondContact O-N 2.72Å; M712-V714 PolarHBondContact O-N 2.72Å
713	I	25	Very low	28.5	Very low	132 Å²	132	128.2 Å²	128.2	68%	0.677	69%	0.691	S	S	*	*			trans	-65.6	100.7	175.9	-57.3	178.3	0	0	0	107.4	T711 T715	T711-I713 VanDerWaalsContact C-N 3.26Å; T711-I713 HydrophobicContact CG2-CG1 4.01Å; T711-I713 PolarHBondContact O-N 3.26Å; I713-T715 HydrophobicContact CG2-CG2 3.9Å; I713-T715 PolarHBondContact O-N 3.11Å
714	V	26.7	Very low	28.7	Very low	75 Å²	75	127.1 Å²	127.1	46%	0.455	69%	0.686	S	S	.	*			trans	-74.1	86.2	167.1	179.4	0	0	0	0	106.8	M712 T716	M712-V714 PolarHBondContact O-N 2.72Å; V714-T716 PolarHBondContact O-N 3.21Å; V714-T716 VanDerWaalsContact O-N 3.15Å
715	T	25.3	Very low	29	Very low	99 Å²	99	127.8 Å²	127.8	61%	0.607	68%	0.683	S	S	*	*			trans	-59.5	114.8	171.4	43.4	0	0	0	0	108.8	I713 E717	I713-T715 HydrophobicContact CG2-CG2 3.9Å; I713-T715 PolarHBondContact O-N 3.11Å; T715-E717 PolarHBondContact O-N 3.25Å
716	T	27.3	Very low	29.2	Very low	86 Å²	86	132.7 Å²	132.7	53%	0.528	69%	0.688	S	S	.	*			trans	-83.2	54.8	-176.4	52.6	0	0	0	0	112	V714 S718	V714-T716 PolarHBondContact O-N 3.21Å; V714-T716 VanDerWaalsContact O-N 3.15Å; T716-S718 PolarHBondContact O-N 2.92Å
717	E	27.7	Very low	29.2	Very low	173 Å²	173	133.8 Å²	133.8	81%	0.808	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	61.9	-177.3	-66.2	-166.9	158.9	0	0	112.6	T715	T715-E717 PolarHBondContact O-N 3.25Å
718	S	29.6	Very low	29.5	Very low	59 Å²	59	132 Å²	132	41%	0.413	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-141.9	8	165.3	63.9	0	0	0	0	115.1	Y339 T716	Y339-S718 PolarHBondContact OH-O 2.95Å; T716-S718 PolarHBondContact O-N 2.92Å
719	L	31.2	Very low	29.6	Very low	128 Å²	128	136.2 Å²	136.2	67%	0.67	69%	0.686	S	S	*	*	S	Bend	trans	-137.8	49.1	176.1	-75.2	179.3	0	0	0	113.2
720	Q	28.6	Very low	30.1	Very low	165 Å²	165	135.6 Å²	135.6	77%	0.771	69%	0.686	S	S	*	*			trans	-145.8	37.1	177.8	-138.2	168.8	-5	0	0	115.4
721	D	28.8	Very low	30.5	Very low	86 Å²	86	137.3 Å²	137.3	46%	0.46	69%	0.687	S	S	.	*	S	Bend	trans	-142.7	67.4	170.7	-172.9	63.7	0	0	0	112.6	K343 K725	K343-D721 PolarHBondContact NZ-O 2.98Å; K343-D721 IonicContact NZ-OD2 3.42Å; K343-D721 PolarHBondContact NZ-OD2 3.41Å; D721-K725 IonicContact OD1-NZ 2.9Å; D721-K725 PolarHBondContact OD1-NZ 3.49Å
722	I	33.2	Very low	31	Very low	143 Å²	143	137.9 Å²	137.9	73%	0.733	69%	0.691	S	S	*	*	S	Bend	trans	-169.2	105	146.2	-87.7	143.8	0	0	0	104.7	K343	K343-I722 HydrophobicContact CG-CD1 4.47Å
723	G	32.1	Very low	31.4	Very low	72 Å²	72	140.7 Å²	140.7	74%	0.742	71%	0.707	S	S	*	*	S	Bend	trans	165.8	-67.9	-178	0	0	0	0	0	114.3
724	E	33.4	Very low	31.7	Very low	164 Å²	164	140.3 Å²	140.3	77%	0.766	72%	0.715	S	S	*	*			trans	-114	68.8	-162.7	-64.4	-177.3	118.4	0	0	113.9
725	K	35	Very low	32	Very low	181 Å²	181	142.3 Å²	142.3	79%	0.787	73%	0.727	S	S	*	*	S	Bend	trans	-128.8	28.2	167.8	-77.7	176.3	-179.3	149.7	0	113.1	D721	D721-K725 IonicContact OD1-NZ 2.9Å; D721-K725 PolarHBondContact OD1-NZ 3.49Å
726	R	34.3	Very low	32.4	Very low	220 Å²	220	145 Å²	145	83%	0.83	74%	0.738	S	S	*	*	S	Bend	trans	-145.5	20.8	178.9	-141	175.9	-171.9	164.3	4.5	116.2
727	L	32.9	Very low	32.7	Very low	147 Å²	147	148.8 Å²	148.8	77%	0.77	76%	0.755	S	S	*	*	S	Bend	trans	-142.5	23.7	173.7	-152.2	71.8	0	0	0	114.2
728	I	34.8	Very low	33	Very low	137 Å²	137	148.6 Å²	148.6	70%	0.703	76%	0.758	S	S	*	*	S	Bend	trans	-127.5	69.4	170.3	-53.5	169.7	0	0	0	108.5
729	R	34.3	Very low	33.3	Very low	242 Å²	242	157.2 Å²	157.2	91%	0.913	78%	0.781	S	S	*	*	S	Bend	trans	-148.6	9.4	163.1	-133.3	176.8	-172.3	-177.2	0.9	114.6
730	E	35.7	Very low	33.4	Very low	176 Å²	176	160.6 Å²	160.6	82%	0.822	79%	0.794	S	S	*	*	S	Bend	trans	-131.5	12.5	-178.7	-68.2	178.1	132.3	0	0	112.9
731	K	35.3	Very low	33.7	Very low	188 Å²	188	157.8 Å²	157.8	82%	0.817	79%	0.792	S	S	*	*	S	Bend	trans	-133.4	23	-179.4	-74.9	-162.9	171.3	-171.6	0	114.9
732	T	34.7	Very low	34.1	Very low	114 Å²	114	162.1 Å²	162.1	70%	0.699	81%	0.81	S	S	*	*	S	Bend	trans	-128.7	39.4	173.3	-33	0	0	0	0	110.5
733	L	33.3	Very low	34.1	Very low	168 Å²	168	164.2 Å²	164.2	88%	0.88	82%	0.816	S	S	*	*	S	Bend	trans	-144.1	34.5	-179.1	-118.7	167.7	0	0	0	110.5
734	C	31.5	Very low	34.3	Very low	124 Å²	124	168.9 Å²	168.9	84%	0.838	82%	0.816	S	S	*	*	S	Bend	trans	-158.1	51.8	175.4	-159.9	0	0	0	0	111.2
735	T	34	Very low	34.3	Very low	116 Å²	116	168.8 Å²	168.8	71%	0.712	82%	0.815	S	S	*	*	S	Bend	trans	-148	3.1	175.8	1.5	0	0	0	0	115.3
736	D	33.1	Very low	34.4	Very low	156 Å²	156	175.5 Å²	175.5	83%	0.834	84%	0.836	S	S	*	*	S	Bend	trans	-122.6	70.6	176.4	-73.9	-61.8	0	0	0	110
737	N	32.7	Very low	34.4	Very low	166 Å²	166	173.3 Å²	173.3	89%	0.888	84%	0.836	S	S	*	*			trans	-171.5	39.4	164.8	-102.9	-18.5	0	0	0	113.1
738	I	34.6	Very low	34.5	Very low	168 Å²	168	174.6 Å²	174.6	86%	0.862	84%	0.839	S	S	*	*			trans	-133.2	69.1	169.3	-49.1	-179.2	0	0	0	110.1
739	R	35.3	Very low	34.5	Very low	241 Å²	241	176.7 Å²	176.7	91%	0.909	85%	0.847	S	S	*	*	S	Bend	trans	-164.8	140	161.4	-106.3	163.7	-172.3	-176.9	1.9	107.8
740	Q	33.7	Very low	34.5	Very low	199 Å²	199	172.9 Å²	172.9	93%	0.93	84%	0.843	S	S	*	*			trans	69.5	69.9	179.5	-55.7	-178.6	-7.4	0	0	116.8
741	S	35.2	Very low	34.4	Very low	106 Å²	106	172.7 Å²	172.7	74%	0.741	84%	0.844	S	S	*	*				-150.2	141.6	124.6	54.3	0	0	0	0	111.6
742	E	36.1	Very low	34.3	Very low	177 Å²	177	171.7 Å²	171.7	83%	0.827	85%	0.846	S	S	*	*			trans	20.6	118.4	148.3	-66.8	146.2	-163.6	0	0	118.2
743	H	34.2	Very low	34.3	Very low	186 Å²	186	175.8 Å²	175.8	86%	0.861	86%	0.857	S	S	*	*			cis	65.8	51	34.4	-152.5	-55.3	0	0	0	114.9
744	K	35.5	Very low	34.4	Very low	171 Å²	171	176.4 Å²	176.4	74%	0.743	86%	0.855	S	S	*	*			trans	-151.9	117.1	155.7	-115.7	179.4	178.6	179.2	0	115.4
745	E	35.1	Very low	34.6	Very low	162 Å²	162	180.8 Å²	180.8	76%	0.757	86%	0.856	S	S	*	*			trans	43.6	76.2	134.6	-57.4	178	106.2	0	0	119.9
746	R	36.1	Very low	34.7	Very low	321 Å²	321	186.6 Å²	186.6	100%	1.211	87%	0.869	S	S	*	*				-179.9	0	104.7	-95.5	174	-176.6	-158.7	-0.3	113

Retrieved 746 of 746 residues in 1248.1 ms (Link to these results)

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