A0A061IFH7_CRIGR Loading...

Eyes absent homolog

AlphaFold DB , UniProt , Accession A0A061IFH7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Eya4, Length 616 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.5	Very low	32.8	Very low	214 Å²	214	140.6 Å²	140.6	100%	1.054	72%	0.724	S	S	*	*				0	67.5	0	-62.5	172.5	-173.3	0	0	105.2
2	E	31.9	Very low	32.7	Very low	166 Å²	166	137.9 Å²	137.9	78%	0.776	72%	0.719	S	S	*	*			cis	63.3	139.4	45.9	-61.1	153.3	118.9	0	0	112.3
3	D	34.8	Very low	32.7	Very low	138 Å²	138	142.2 Å²	142.2	74%	0.738	73%	0.728	S	S	*	*			cis	-162.5	-175.3	-30.7	-131.6	-53.3	0	0	0	110.8
4	T	36.6	Very low	32.6	Very low	98 Å²	98	145 Å²	145	60%	0.601	73%	0.732	S	S	*	*			trans	-24.5	146.2	167.1	40.7	0	0	0	0	121.5
5	Q	35.7	Very low	32.4	Very low	155 Å²	155	142.1 Å²	142.1	72%	0.724	73%	0.725	S	S	*	*				88.6	125.3	128.2	-80.6	173.4	-84.5	0	0	124.2
6	D	32.9	Very low	32.3	Very low	118 Å²	118	140.3 Å²	140.3	63%	0.631	73%	0.727	S	S	*	*				97.8	136.4	119.3	-79.4	-28.2	0	0	0	125.6
7	L	33.1	Very low	33.3	Very low	142 Å²	142	138.8 Å²	138.8	74%	0.743	73%	0.729	S	S	*	*			trans	60.2	103.7	140.9	-64.5	168.1	0	0	0	122
8	N	29.1	Very low	33.2	Very low	134 Å²	134	141.4 Å²	141.4	72%	0.717	74%	0.737	S	S	*	*				46.8	116.4	107.3	-173.3	58.8	0	0	0	120
9	E	31.7	Very low	33.2	Very low	142 Å²	142	138.8 Å²	138.8	66%	0.664	73%	0.731	S	S	*	*				175.2	145.9	117.3	-91.8	-146.6	115.9	0	0	114.3
10	Q	29.7	Very low	33	Very low	154 Å²	154	138.5 Å²	138.5	72%	0.72	73%	0.73	S	S	*	*			trans	39.8	151.1	139.1	-61	-156	52.9	0	0	122.8
11	S	31.9	Very low	33	Very low	86 Å²	86	137.7 Å²	137.7	60%	0.601	73%	0.731	S	S	*	*			cis	-165.8	180	-7.9	-93.6	0	0	0	0	107.1
12	V	31.4	Very low	32.8	Very low	108 Å²	108	132.7 Å²	132.7	66%	0.655	72%	0.717	S	S	*	*				163.4	128.7	83.7	164.9	0	0	0	0	111.1
13	K	32.6	Very low	32.8	Very low	194 Å²	194	133.5 Å²	133.5	84%	0.843	72%	0.721	S	S	*	*			trans	64.7	155.6	159.6	-69	162.6	-163.5	161.3	0	117.8
14	K	32.2	Very low	34.1	Very low	181 Å²	181	131.7 Å²	131.7	79%	0.787	72%	0.716	S	S	*	*			cis	-161.4	165.7	8	-134.5	-164.4	156.9	-153.3	0	107.7
15	T	28.9	Very low	33.9	Very low	101 Å²	101	134.9 Å²	134.9	62%	0.62	72%	0.724	S	S	*	*			cis	-158.4	166.8	-3.5	-21.7	0	0	0	0	108.7
16	C	31.4	Very low	33.7	Very low	113 Å²	113	133.6 Å²	133.6	76%	0.764	72%	0.722	S	S	*	*			trans	-119.2	172.9	161.7	-62.1	0	0	0	0	111.7
17	P	48	Very low	33.6	Very low	116 Å²	116	132.5 Å²	132.5	75%	0.753	72%	0.724	S	S	*	*				-123.9	153.2	96.2	8.2	13.3	0	0	0	112.2
18	E	32	Very low	33.7	Very low	186 Å²	186	137 Å²	137	87%	0.869	73%	0.731	S	S	*	*			cis	81.1	140.1	42.2	-166	177.8	-145.2	0	0	112.7
19	S	34.2	Very low	33.8	Very low	91 Å²	91	135.5 Å²	135.5	64%	0.636	73%	0.731	S	S	*	*			cis	-101.5	-163.1	-2.6	52.6	0	0	0	0	111.6
20	D	29.2	Very low	33.7	Very low	132 Å²	132	137.2 Å²	137.2	71%	0.706	74%	0.742	S	S	*	*			cis	-141.7	159.7	3.3	-89.8	-63.5	0	0	0	107.3
21	V	32.2	Very low	34	Very low	122 Å²	122	138.3 Å²	138.3	74%	0.739	75%	0.747	S	S	*	*			cis	86.9	117.7	35.1	177	0	0	0	0	113.8
22	S	30.4	Very low	34.2	Very low	110 Å²	110	141.1 Å²	141.1	77%	0.769	75%	0.752	S	S	*	*			cis	-161.4	166.5	-9.2	-102.6	0	0	0	0	112.8
23	E	30.8	Very low	34.3	Very low	182 Å²	182	143.1 Å²	143.1	85%	0.85	75%	0.754	S	S	*	*			trans	-94.3	-143.5	177.6	-61.7	-173.1	110.8	0	0	114
24	P	61.8	Low	34.4	Very low	100 Å²	100	140 Å²	140	65%	0.649	75%	0.747	S	S	*	*				-127.5	-170.4	-96.1	36.9	-17.3	0	0	0	114.9
25	Q	33	Very low	34.4	Very low	165 Å²	165	138.8 Å²	138.8	77%	0.771	75%	0.748	S	S	*	*				144	143	128.6	-74.8	-158.5	-4.4	0	0	118.3
26	N	32.3	Very low	34.4	Very low	128 Å²	128	138.6 Å²	138.6	68%	0.684	76%	0.757	S	S	*	*			trans	83.3	116.9	135.2	-95	-40.3	0	0	0	126.3
27	S	30.2	Very low	34.5	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	76%	0.759	S	S	*	*				98.4	117.7	114.6	73.4	0	0	0	0	124.3
28	R	35.1	Very low	34.8	Very low	235 Å²	235	138.7 Å²	138.7	89%	0.887	76%	0.759	S	S	*	*				69.7	114	128.1	-76.2	-174.4	172.1	173.5	-2.1	124.3
29	S	31.6	Very low	34.8	Very low	103 Å²	103	139 Å²	139	72%	0.72	76%	0.76	S	S	*	*				94.7	151.9	115.4	-64	0	0	0	0	123.3
30	M	29.5	Very low	34.8	Very low	179 Å²	179	138.9 Å²	138.9	88%	0.882	77%	0.765	S	S	*	*			trans	79.1	87.2	164.2	-64	-177.4	-174	0	0	121
31	E	35.5	Very low	35	Very low	177 Å²	177	140.2 Å²	140.2	83%	0.827	77%	0.771	S	S	*	*				28.3	131.5	100.5	-166	172.6	-163.9	0	0	120.5
32	M	35.9	Very low	35	Very low	144 Å²	144	141.3 Å²	141.3	71%	0.709	78%	0.777	S	S	*	*				169.7	125.5	128.6	-87.9	-83.2	-83.4	0	0	115.6
33	Q	34.6	Very low	35	Very low	150 Å²	150	139.7 Å²	139.7	70%	0.701	78%	0.778	S	S	*	*			trans	59.6	111.2	136.8	-73.7	-178	-8.4	0	0	125.9
34	D	33.1	Very low	34.9	Very low	129 Å²	129	134.9 Å²	134.9	69%	0.69	78%	0.777	S	S	*	*				94.5	138.9	110.8	-86.9	-39.6	0	0	0	127.8
35	L	33	Very low	33.5	Very low	155 Å²	155	135 Å²	135	81%	0.812	78%	0.78	S	S	*	*			trans	57.9	117.3	146.4	-64.7	167.4	0	0	0	123.2
36	A	28.1	Very low	33.4	Very low	98 Å²	98	134.1 Å²	134.1	81%	0.81	78%	0.781	S	S	*	*				173.2	150.4	101.7	0	0	0	0	0	115
37	S	33.5	Very low	33.5	Very low	116 Å²	116	134.2 Å²	134.2	81%	0.811	79%	0.786	S	S	*	*			trans	-130.8	-170.8	166.6	-42.7	0	0	0	0	108
38	P	54.9	Low	34.6	Very low	114 Å²	114	135.6 Å²	135.6	74%	0.74	79%	0.793	S	S	*	*			cis	-126.2	-162.4	-24.8	41.6	-25.7	0	0	0	110.9
39	H	32	Very low	34.3	Very low	194 Å²	194	128.3 Å²	128.3	90%	0.898	79%	0.791	S	S	*	*			trans	-155.8	148.6	150.7	-110.3	-73.3	0	0	0	112.7
40	A	33.4	Very low	34.2	Very low	88 Å²	88	126.8 Å²	126.8	73%	0.727	79%	0.792	S	S	*	*			trans	-154.6	145.5	176.4	0	0	0	0	0	113
41	L	33.3	Very low	34.3	Very low	160 Å²	160	123.6 Å²	123.6	84%	0.838	79%	0.787	S	S	*	*			trans	-149.4	125.3	163.8	-71.1	174.5	0	0	0	105.4
42	V	34.2	Very low	34.1	Very low	144 Å²	144	124.2 Å²	124.2	87%	0.873	79%	0.787	S	S	*	*				68.5	119	57.1	-177.9	0	0	0	0	112.3
43	G	30	Very low	34	Very low	76 Å²	76	124.1 Å²	124.1	78%	0.784	79%	0.789	S	S	*	*			cis	167	174.6	-7.1	0	0	0	0	0	114.4
44	G	27.7	Very low	33.8	Very low	81 Å²	81	123.6 Å²	123.6	84%	0.835	79%	0.791	S	S	*	*			trans	88.8	156.4	168.7	0	0	0	0	0	117.3
45	S	33	Very low	33.9	Very low	102 Å²	102	126.1 Å²	126.1	71%	0.713	80%	0.796	S	S	*	*			cis	-160.9	165.8	-22.2	67.5	0	0	0	0	112.2
46	D	31.3	Very low	34	Very low	147 Å²	147	124.5 Å²	124.5	79%	0.786	80%	0.797	S	S	*	*			trans	71.9	170.2	156.8	-54.4	-51.7	0	0	0	121.7
47	T	33.6	Very low	34.1	Very low	130 Å²	130	126.4 Å²	126.4	80%	0.798	79%	0.794	S	S	*	*			trans	-142.5	-167.9	-155.3	55.3	0	0	0	0	110.6
48	P	53.1	Low	34.3	Very low	126 Å²	126	127.8 Å²	127.8	82%	0.818	79%	0.791	S	S	*	*				-124.2	177.2	-61.1	35.1	-20.1	0	0	0	112.5
49	G	29.5	Very low	33	Very low	82 Å²	82	129.5 Å²	129.5	85%	0.845	79%	0.794	S	S	*	*			trans	163.7	156	155.5	0	0	0	0	0	118.7
50	G	28.4	Very low	32.8	Very low	71 Å²	71	124.9 Å²	124.9	73%	0.732	78%	0.784	S	S	*	*			trans	112.6	68	137.8	0	0	0	0	0	121.1
51	S	32.6	Very low	32.6	Very low	112 Å²	112	126.8 Å²	126.8	78%	0.783	79%	0.786	S	S	*	*				47.2	116.2	128.3	62.1	0	0	0	0	123.3
52	K	31.8	Very low	32.4	Very low	189 Å²	189	123.6 Å²	123.6	82%	0.822	78%	0.778	S	S	*	*				69.9	140.1	123.2	-89.6	-176.2	175	-179.8	0	123
53	L	33.1	Very low	32.2	Very low	142 Å²	142	123.8 Å²	123.8	74%	0.743	78%	0.779	S	S	*	*			trans	73.6	154.2	153.2	-64.5	165.9	0	0	0	115.9
54	D	29.8	Very low	32.2	Very low	140 Å²	140	125.4 Å²	125.4	75%	0.749	77%	0.774	S	S	*	*			cis	-139	173.9	14.9	-136.6	-37.8	0	0	0	115.2
55	K	35.6	Very low	32.3	Very low	182 Å²	182	128.3 Å²	128.3	79%	0.791	78%	0.775	S	S	*	*			trans	-86.1	149.6	171.4	-77.7	179.2	174	177.4	0	111.8
56	S	35.4	Very low	32.1	Very low	120 Å²	120	130.8 Å²	130.8	84%	0.839	78%	0.78	S	S	*	*			trans	-133.6	155.5	143.6	54.8	0	0	0	0	109.5
57	N	30.5	Very low	32	Very low	139 Å²	139	127.7 Å²	127.7	74%	0.743	78%	0.783	S	S	*	*			trans	-150.7	177.3	-164.2	-138.1	-0.9	0	0	0	109.1
58	L	36.5	Very low	32	Very low	145 Å²	145	127.3 Å²	127.3	76%	0.759	78%	0.781	S	S	*	*			trans	84.2	116.4	178.5	-50.8	178.1	0	0	0	113.2
59	N	28.6	Very low	30.7	Very low	149 Å²	149	124.8 Å²	124.8	80%	0.797	78%	0.778	S	S	*	*				71.9	139.6	74.2	-76.2	8.6	0	0	0	112.9
60	S	28.1	Very low	31	Very low	97 Å²	97	127.5 Å²	127.5	68%	0.678	78%	0.778	S	S	*	*			cis	-162.3	170.9	-6.9	50.1	0	0	0	0	108
61	T	28.2	Very low	30.9	Very low	128 Å²	128	129 Å²	129	79%	0.785	78%	0.778	S	S	*	*				176	156.6	81.6	-57.8	0	0	0	0	110
62	S	29.2	Very low	30.8	Very low	94 Å²	94	131.5 Å²	131.5	66%	0.657	78%	0.781	S	S	*	*			trans	-84.7	158.2	-175.3	55	0	0	0	0	116.5
63	V	29.4	Very low	30.9	Very low	148 Å²	148	131 Å²	131	90%	0.897	79%	0.786	S	S	*	*			trans	-133.7	145.3	137.9	-179.3	0	0	0	0	108.5
64	T	30.8	Very low	30.9	Very low	110 Å²	110	128.8 Å²	128.8	68%	0.675	79%	0.789	S	S	*	*			trans	-123	152.3	-175.4	48	0	0	0	0	112
65	T	29	Very low	31	Very low	142 Å²	142	128.9 Å²	128.9	87%	0.871	79%	0.794	S	S	*	*			trans	-161.8	103.9	140.6	33.6	0	0	0	0	112.7
66	N	30.2	Very low	30.6	Very low	153 Å²	153	129.6 Å²	129.6	82%	0.818	80%	0.797	S	S	*	*			trans	8.9	138.6	149.3	-54	-10.2	0	0	0	121.9
67	G	28.2	Very low	30.5	Very low	82 Å²	82	129.8 Å²	129.8	85%	0.845	79%	0.793	S	S	*	*			trans	-166.2	79.2	162.1	0	0	0	0	0	110.5
68	T	33.7	Very low	30.5	Very low	122 Å²	122	131.9 Å²	131.9	75%	0.748	80%	0.798	S	S	*	*			trans	-78.2	123.4	-157.8	-44.8	0	0	0	0	114.9	V70	T68-V70 HydrophobicContact CG2-CG2 4.21Å
69	G	26.6	Very low	30.6	Very low	74 Å²	74	130.7 Å²	130.7	76%	0.763	80%	0.8	S	S	*	*			trans	-89.7	145.1	158.3	0	0	0	0	0	111.4
70	V	34.4	Very low	30.6	Very low	139 Å²	139	130.9 Å²	130.9	84%	0.842	80%	0.8	S	S	*	*			trans	-125.3	133.4	-178.8	-179.4	0	0	0	0	109.7	T68	T68-V70 HydrophobicContact CG2-CG2 4.21Å
71	S	27.1	Very low	30.6	Very low	103 Å²	103	133.2 Å²	133.2	72%	0.72	81%	0.805	S	S	*	*			trans	-145	145.5	175.7	-167.9	0	0	0	0	111.4
72	L	31.4	Very low	30.6	Very low	164 Å²	164	131.5 Å²	131.5	86%	0.859	80%	0.798	S	S	*	*			trans	39.9	107.8	173.8	-89.4	67.8	0	0	0	118.5
73	L	33	Very low	30.7	Very low	178 Å²	178	134.4 Å²	134.4	93%	0.932	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-90.1	122.2	152.3	-81.4	169.7	0	0	0	109.9
74	A	32.8	Very low	30.8	Very low	96 Å²	96	136.7 Å²	136.7	79%	0.793	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-84.1	132.6	165.2	0	0	0	0	0	109.9	K76	A74-K76 PolarHBondContact O-N 2.97Å
75	V	31.5	Very low	30.8	Very low	141 Å²	141	137.4 Å²	137.4	86%	0.855	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-74.4	126.3	177.2	178.1	0	0	0	0	109.8
76	K	28.6	Very low	30.8	Very low	198 Å²	198	135.4 Å²	135.4	86%	0.861	80%	0.804	S	S	*	*			trans	-127.8	132.2	167.6	-171.4	176.8	179.3	-176.3	0	109.6	A74	A74-K76 PolarHBondContact O-N 2.97Å
77	T	32.7	Very low	30.7	Very low	124 Å²	124	134.5 Å²	134.5	76%	0.761	80%	0.803	S	S	*	*			trans	-86.8	145.1	-176.6	42.5	0	0	0	0	112.7
78	E	30.9	Very low	30.9	Very low	182 Å²	182	136.2 Å²	136.2	85%	0.85	80%	0.798	S	S	*	*			trans	-93.5	163.8	161.5	-67.6	-164.5	140.7	0	0	111.3
79	P	37.5	Very low	30.8	Very low	121 Å²	121	137.5 Å²	137.5	79%	0.786	81%	0.806	S	S	*	*			trans	-134.5	113	137.9	34.1	-20.4	0	0	0	113.9
80	L	29.8	Very low	31	Very low	153 Å²	153	137 Å²	137	80%	0.801	80%	0.8	S	S	*	*			trans	44.4	140.6	130.2	-84.4	159	0	0	0	123
81	N	28.7	Very low	30.9	Very low	145 Å²	145	139 Å²	139	78%	0.775	81%	0.807	S	S	*	*			trans	71.2	144.7	156.8	-81	8.6	0	0	0	118.9
82	S	28.2	Very low	31.1	Very low	93 Å²	93	137.9 Å²	137.9	65%	0.65	81%	0.811	S	S	*	*			cis	-169	153.4	-16.5	44.6	0	0	0	0	110.6
83	N	30.5	Very low	31.1	Very low	155 Å²	155	134.2 Å²	134.2	83%	0.829	80%	0.804	S	S	*	*			trans	13.9	129.7	160.8	-60.9	3	0	0	0	119.9
84	E	30.4	Very low	31.1	Very low	195 Å²	195	133 Å²	133	91%	0.911	80%	0.798	S	S	*	*				-157.9	-179.1	101.2	-116.2	179.4	-173.3	0	0	113.5
85	T	30.8	Very low	31.1	Very low	125 Å²	125	134.4 Å²	134.4	77%	0.767	79%	0.792	S	S	*	*			trans	-105.8	160.9	-154	-58.3	0	0	0	0	113.8
86	S	29.2	Very low	31.2	Very low	101 Å²	101	133.1 Å²	133.1	71%	0.706	79%	0.785	S	S	*	*			trans	-23.6	148.9	161.2	-43.8	0	0	0	0	115.5
87	T	29.7	Very low	31.3	Very low	133 Å²	133	132.6 Å²	132.6	82%	0.816	78%	0.783	S	S	*	*				-168.1	165.6	62.1	-53	0	0	0	0	112.5
88	T	31	Very low	31.3	Very low	118 Å²	118	133.1 Å²	133.1	72%	0.724	79%	0.786	S	S	*	*			trans	-63.9	139.5	-177.6	50.2	0	0	0	0	117.3
89	T	32.5	Very low	31.4	Very low	149 Å²	149	127.5 Å²	127.5	91%	0.914	78%	0.777	S	S	*	*				169.8	158	125.2	30.8	0	0	0	0	108.2
90	G	30.3	Very low	31.2	Very low	63 Å²	63	127 Å²	127	65%	0.649	78%	0.776	S	S	*	*			cis	165.3	138.5	-4.9	0	0	0	0	0	109.9
91	D	31.4	Very low	31.2	Very low	183 Å²	183	125.9 Å²	125.9	98%	0.979	78%	0.775	S	S	*	*			trans	59.3	160.8	-179.7	-64.4	-41.2	0	0	0	118.2
92	G	32.2	Very low	31.6	Very low	79 Å²	79	126 Å²	126	81%	0.814	78%	0.775	S	S	*	*			trans	145.1	53.4	175	0	0	0	0	0	117.3
93	A	31	Very low	31.9	Very low	87 Å²	87	126.7 Å²	126.7	72%	0.719	78%	0.775	S	S	*	*			trans	-54.7	153.5	-174.8	0	0	0	0	0	118.3
94	L	33.8	Very low	32	Very low	153 Å²	153	123.7 Å²	123.7	80%	0.801	77%	0.766	S	S	*	*			trans	67.4	153.4	154.3	-93.1	65.8	0	0	0	117.4
95	D	33.6	Very low	32.2	Very low	125 Å²	125	120.1 Å²	120.1	67%	0.668	76%	0.763	S	S	*	*			cis	-153.4	157.7	-2.2	-140.5	-19.9	0	0	0	114.3
96	T	31.7	Very low	32.2	Very low	114 Å²	114	117.6 Å²	117.6	70%	0.699	76%	0.761	S	S	*	*			trans	26	103.9	139	-62.6	0	0	0	0	121.4
97	F	30.8	Very low	32.3	Very low	187 Å²	187	124.3 Å²	124.3	82%	0.82	77%	0.773	S	S	*	*				66.2	112.8	115.6	-154.8	-85.9	0	0	0	122.2
98	T	33.5	Very low	32.5	Very low	134 Å²	134	123 Å²	123	82%	0.822	77%	0.769	S	S	*	*			trans	178.9	153.6	137.4	20.1	0	0	0	0	107.7
99	G	32.4	Very low	33.6	Very low	64 Å²	64	122.2 Å²	122.2	66%	0.66	77%	0.766	S	S	*	*			cis	93.6	118.7	32.3	0	0	0	0	0	109.1
100	S	34	Very low	33.6	Very low	111 Å²	111	126.5 Å²	126.5	78%	0.776	77%	0.765	S	S	*	*			cis	-165	151.1	6	-90.3	0	0	0	0	111.1
101	V	30.2	Very low	33.7	Very low	129 Å²	129	129.1 Å²	129.1	78%	0.782	77%	0.774	S	S	*	*			trans	46.9	164.5	134	-164.1	0	0	0	0	120.5
102	I	37.2	Very low	33.8	Very low	149 Å²	149	124.6 Å²	124.6	76%	0.764	76%	0.762	S	S	*	*			trans	89.8	132.6	164.9	-54.5	-177.4	0	0	0	116.2
103	T	33.1	Very low	33.8	Very low	107 Å²	107	130 Å²	130	66%	0.656	77%	0.765	S	S	*	*			cis	-163.3	175.9	-31.8	42.4	0	0	0	0	108.8
104	S	32.6	Very low	33.9	Very low	91 Å²	91	133.9 Å²	133.9	64%	0.636	77%	0.769	S	S	*	*			trans	52.1	101.8	140	59.4	0	0	0	0	119.4
105	S	36.1	Very low	33.7	Very low	121 Å²	121	137.6 Å²	137.6	85%	0.846	77%	0.774	S	S	*	*				75.2	129.9	75	73.4	0	0	0	0	116.4
106	G	30.7	Very low	33.5	Very low	71 Å²	71	136.8 Å²	136.8	73%	0.732	78%	0.778	S	S	*	*			trans	167.4	91.2	163.9	0	0	0	0	0	120
107	Y	30.4	Very low	34.5	Very low	242 Å²	242	136.5 Å²	136.5	95%	0.949	78%	0.778	S	S	*	*			trans	64.8	169.4	142.8	-86.7	-97.2	0	0	0	123.2
108	S	34.3	Very low	34.5	Very low	106 Å²	106	135 Å²	135	74%	0.741	77%	0.774	S	S	*	*			trans	-138.4	-164.6	-170.9	-152	0	0	0	0	107.4
109	P	54.3	Low	34.3	Very low	101 Å²	101	134.8 Å²	134.8	66%	0.656	77%	0.767	S	S	*	*			cis	-142.3	-169.8	-5.3	44	-24.6	0	0	0	116.4
110	R	32.8	Very low	34.1	Very low	239 Å²	239	141.7 Å²	141.7	90%	0.902	78%	0.775	S	S	*	*			trans	68.9	162.3	164.1	-64.5	-179.3	169.7	-179.6	-3.4	116
111	S	31.3	Very low	34.4	Very low	118 Å²	118	142.3 Å²	142.3	83%	0.825	78%	0.776	S	S	*	*			cis	-137.3	174.5	10.9	-53.2	0	0	0	0	112.2
112	A	33	Very low	34.5	Very low	88 Å²	88	141.2 Å²	141.2	73%	0.727	77%	0.774	S	S	*	*			trans	-108.9	155.2	176.1	0	0	0	0	0	113
113	H	32.7	Very low	34.4	Very low	192 Å²	192	143.9 Å²	143.9	89%	0.889	78%	0.78	S	S	*	*			trans	-157.5	161.1	154.5	-98	-64.8	0	0	0	111.3
114	Q	33.7	Very low	35	Very low	170 Å²	170	144.4 Å²	144.4	79%	0.794	79%	0.785	S	S	*	*			trans	-87	153.9	-176.5	-57	143.1	-69.7	0	0	112
115	Y	29.9	Very low	34.9	Very low	230 Å²	230	149.7 Å²	149.7	90%	0.902	79%	0.793	S	S	*	*			trans	-170.8	158.2	130.9	-108.8	-70.3	0	0	0	112.6
116	S	29.8	Very low	35.4	Very low	108 Å²	108	148.8 Å²	148.8	76%	0.755	78%	0.784	S	S	*	*			trans	-164.8	165.7	172	-76.3	0	0	0	0	107.2
117	P	52	Low	35.5	Very low	108 Å²	108	153.5 Å²	153.5	70%	0.701	79%	0.786	S	S	*	*			cis	-128.8	-168.5	9.5	42.4	-26.4	0	0	0	113.7
118	Q	30.1	Very low	35.6	Very low	156 Å²	156	148.5 Å²	148.5	73%	0.729	78%	0.775	S	S	*	*				178	136	116.7	-87.7	-60.7	25.5	0	0	115.1
119	L	30	Very low	35.3	Very low	130 Å²	130	151.4 Å²	151.4	68%	0.681	78%	0.781	S	S	*	*			trans	30.7	112.3	148.9	-67.6	158	0	0	0	125
120	Y	28.7	Very low	34.2	Very low	209 Å²	209	151.9 Å²	151.9	82%	0.82	79%	0.787	S	S	*	*				52.6	165.1	122.6	-82.7	-101.7	0	0	0	122.3
121	P	39.9	Very low	34.2	Very low	124 Å²	124	147 Å²	147	81%	0.805	78%	0.783	S	S	*	*			cis	-130.6	176.4	6.9	42.6	-26.7	0	0	0	117.3
122	S	32.6	Very low	34.7	Very low	106 Å²	106	147.3 Å²	147.3	74%	0.741	78%	0.783	S	S	*	*			trans	-150.1	134.6	175.3	55.5	0	0	0	0	114.5
123	K	35.2	Very low	34.6	Very low	204 Å²	204	147.8 Å²	147.8	89%	0.887	79%	0.787	S	S	*	*			trans	-169.8	161.1	171.2	-80.8	-162	-177.2	177.7	0	109.5
124	P	44.5	Very low	34.7	Very low	119 Å²	119	143.5 Å²	143.5	77%	0.773	79%	0.785	S	S	*	*			cis	-132.1	-179.6	-22.9	37.8	-19.5	0	0	0	115.1
125	Y	31.6	Very low	34.6	Very low	202 Å²	202	144.6 Å²	144.6	79%	0.792	79%	0.79	S	S	*	*			trans	-48	165.6	165.9	-89.5	-73	0	0	0	116.4
126	P	46.3	Very low	34.7	Very low	102 Å²	102	140.1 Å²	140.1	66%	0.662	79%	0.787	S	S	*	*			cis	-132.5	-170.6	46.3	45.5	-29.1	0	0	0	114.8
127	H	31.7	Very low	34.7	Very low	169 Å²	169	144 Å²	144	78%	0.782	80%	0.795	S	S	*	*			cis	-146.6	167.5	11.2	-122.1	-63.9	0	0	0	111.6
128	I	32.5	Very low	33.9	Very low	137 Å²	137	144.5 Å²	144.5	70%	0.703	80%	0.801	S	S	*	*			trans	-135.2	150.8	165.1	-65.2	178	0	0	0	108.8
129	L	29.2	Very low	33.9	Very low	168 Å²	168	141.6 Å²	141.6	88%	0.88	80%	0.804	S	S	*	*			trans	-112.5	134.3	174.3	-158.7	81.1	0	0	0	110.8
130	S	30.3	Very low	33.8	Very low	110 Å²	110	146.8 Å²	146.8	77%	0.769	82%	0.816	S	S	*	*			trans	-139.7	138.9	175.5	-56.8	0	0	0	0	110.4
131	T	34.3	Very low	33.9	Very low	136 Å²	136	141 Å²	141	83%	0.834	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-97	147.2	176.8	35.3	0	0	0	0	112.3
132	P	39.9	Very low	33.4	Very low	125 Å²	125	140.2 Å²	140.2	81%	0.812	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-92.2	161.2	-172.1	36.5	-36.4	0	0	0	114.1
133	A	32.5	Very low	33.4	Very low	99 Å²	99	143.3 Å²	143.3	82%	0.818	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-78.8	149.8	167.8	0	0	0	0	0	112
134	A	34.5	Very low	33.2	Very low	102 Å²	102	139.2 Å²	139.2	84%	0.843	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-93.8	144.6	174.1	0	0	0	0	0	111.6
135	Q	30.7	Very low	32.4	Very low	193 Å²	193	140.5 Å²	140.5	90%	0.902	80%	0.8	S	S	*	*			trans	-112.4	160.1	177.6	-72.6	-173.7	-14.4	0	0	112.3
136	T	32.3	Very low	32.4	Very low	135 Å²	135	139.9 Å²	139.9	83%	0.828	80%	0.797	S	S	*	*			trans	-65.7	150.5	-177	-28.7	0	0	0	0	113.5
137	M	31.1	Very low	31.8	Very low	189 Å²	189	140.5 Å²	140.5	93%	0.931	80%	0.804	S	S	*	*			trans	-125	152.7	160.8	-90.6	-162.3	169.6	0	0	111.4
138	S	34.6	Very low	31.7	Very low	120 Å²	120	135.9 Å²	135.9	84%	0.839	80%	0.802	S	S	*	*			trans	-118.9	160.4	-174.6	-64.6	0	0	0	0	112.3
139	A	29.9	Very low	31.6	Very low	94 Å²	94	138.4 Å²	138.4	78%	0.777	81%	0.813	S	S	*	*			trans	-74.1	165.9	-161.7	0	0	0	0	0	117.2
140	Y	27.8	Very low	31.8	Very low	239 Å²	239	139.5 Å²	139.5	94%	0.937	81%	0.814	S	S	*	*			trans	-134.8	153.6	153.2	-117.3	-93.9	0	0	0	109.9
141	A	31.5	Very low	31.9	Very low	89 Å²	89	143.2 Å²	143.2	74%	0.736	82%	0.819	S	S	*	*			trans	-92.3	166.9	-173.6	0	0	0	0	0	112.4
142	S	29.4	Very low	31.6	Very low	106 Å²	106	142.8 Å²	142.8	74%	0.741	82%	0.822	S	S	*	*			cis	-176	171	47.4	49.8	0	0	0	0	114.5
143	Q	30.9	Very low	31.2	Very low	172 Å²	172	141.4 Å²	141.4	80%	0.804	82%	0.82	S	S	*	*			trans	73.3	112.3	172.9	-60	-160.4	32.2	0	0	117.5
144	T	31.4	Very low	30.9	Very low	117 Å²	117	143.2 Å²	143.2	72%	0.718	82%	0.821	S	S	*	*				70.3	131.7	69.4	52.7	0	0	0	0	115.2
145	Q	28.6	Very low	30.5	Very low	147 Å²	147	148.7 Å²	148.7	69%	0.687	82%	0.822	S	S	*	*			cis	-165.5	145.6	-5.9	-149.9	172.3	0.7	0	0	106.9
146	Y	32	Very low	30.5	Very low	189 Å²	189	145.3 Å²	145.3	74%	0.741	81%	0.814	S	S	*	*				176	162.3	76.7	-120.3	-74.8	0	0	0	111
147	S	32.3	Very low	30.2	Very low	114 Å²	114	143.3 Å²	143.3	80%	0.797	81%	0.812	S	S	*	*			trans	21.8	142.5	163.8	-65.2	0	0	0	0	123
148	G	30.5	Very low	29.9	Very low	72 Å²	72	144.8 Å²	144.8	74%	0.742	81%	0.808	S	S	*	*			cis	142.6	99.8	-4.1	0	0	0	0	0	114.7
149	M	30.4	Very low	29.7	Very low	190 Å²	190	144.7 Å²	144.7	94%	0.936	81%	0.808	S	S	*	*			trans	-160.4	133.9	159.3	-87.7	-114.6	84.5	0	0	107.2
150	Q	33.3	Very low	29.7	Very low	192 Å²	192	149.2 Å²	149.2	90%	0.897	81%	0.812	S	S	*	*			trans	-135.8	154.9	-179.9	-162.7	170.6	7.7	0	0	110.9
151	Q	31.8	Very low	29.8	Very low	187 Å²	187	144.4 Å²	144.4	87%	0.874	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-70.8	158.5	-168.3	-68.6	163	-63.7	0	0	114.1
152	S	28.6	Very low	29.8	Very low	128 Å²	128	143.2 Å²	143.2	90%	0.895	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-65.9	158.6	-177.6	-56.1	0	0	0	0	114.2
153	A	30.4	Very low	29.8	Very low	95 Å²	95	146.7 Å²	146.7	79%	0.785	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-77.2	148.2	-162.2	0	0	0	0	0	115.7
154	V	26.9	Very low	30	Very low	137 Å²	137	143.4 Å²	143.4	83%	0.83	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72.4	134.5	155.8	177.5	0	0	0	0	108.2
155	Y	26.8	Very low	29.8	Very low	218 Å²	218	149.2 Å²	149.2	86%	0.855	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-72.8	135.7	179.8	-120.2	-92.4	0	0	0	111.8
156	T	30.4	Very low	29.8	Very low	121 Å²	121	147.5 Å²	147.5	74%	0.742	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-78.1	139.6	-175.6	-38.8	0	0	0	0	111.6
157	A	25.3	Very low	29.8	Very low	94 Å²	94	146.1 Å²	146.1	78%	0.777	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-68.4	134.6	171	0	0	0	0	0	111.3
158	Y	25.8	Very low	29.8	Very low	220 Å²	220	146.1 Å²	146.1	86%	0.863	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-79.9	125.4	170	-90.9	-91.2	0	0	0	110.6	Q160	Y158-Q160 PolarHBondContact O-N 3.24Å
159	S	30.3	Very low	29.6	Very low	118 Å²	118	147.1 Å²	147.1	83%	0.825	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-77.2	116.1	168.3	39.2	0	0	0	0	110.5
160	Q	28.8	Very low	29.6	Very low	188 Å²	188	148.8 Å²	148.8	88%	0.879	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-99.1	130.3	164.5	-73.5	-158.3	42.2	0	0	110.8	Y158	Y158-Q160 PolarHBondContact O-N 3.24Å
161	T	31.6	Very low	29.3	Very low	138 Å²	138	147 Å²	147	85%	0.847	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-82.4	120.3	171.2	49.1	0	0	0	0	109.8
162	G	31.5	Very low	29.3	Very low	64 Å²	64	146.3 Å²	146.3	66%	0.66	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-71.9	144.4	-178.1	0	0	0	0	0	114.4
163	Q	28.9	Very low	29.3	Very low	180 Å²	180	142.7 Å²	142.7	84%	0.841	80%	0.799	S	S	*	*			trans	-137	142.8	150.3	-77	-58.3	-53.3	0	0	108.4
164	P	34.1	Very low	29.4	Very low	102 Å²	102	144.7 Å²	144.7	66%	0.662	80%	0.801	S	S	*	*			trans	-88.4	148.1	-177.3	35.1	-33.6	0	0	0	111.7
165	Y	28.3	Very low	29.4	Very low	239 Å²	239	146.2 Å²	146.2	94%	0.937	80%	0.801	S	S	*	*			trans	-142.2	141.3	155.2	-107.1	-79	0	0	0	111.7
166	S	27.5	Very low	29.6	Very low	111 Å²	111	143.9 Å²	143.9	78%	0.776	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-92.5	162.6	-170.4	-51.8	0	0	0	0	112.9
167	L	32.4	Very low	30.4	Very low	161 Å²	161	143.7 Å²	143.7	84%	0.843	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-61.7	147.8	166.7	-65.4	171.7	0	0	0	111.2	A169	L167-A169 PolarHBondContact O-N 3.42Å
168	P	31.7	Very low	30.4	Very low	114 Å²	114	143.6 Å²	143.6	74%	0.74	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72.8	123.6	178.8	29.4	-33.9	0	0	0	111.3
169	A	27.4	Very low	30.8	Very low	92 Å²	92	140.7 Å²	140.7	76%	0.76	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-85.5	138.9	166.5	0	0	0	0	0	109.9	L167 D171	L167-A169 PolarHBondContact O-N 3.42Å; A169-D171 PolarHBondContact O-N 3.18Å
170	Y	30.3	Very low	30.6	Very low	225 Å²	225	144.9 Å²	144.9	88%	0.882	80%	0.803	S	S	*	*			trans	-78.5	109.3	174.1	3.6	-92.4	0	0	0	109.1
171	D	27.1	Very low	30.6	Very low	154 Å²	154	141.3 Å²	141.3	82%	0.824	80%	0.795	S	S	*	*			trans	-87.3	140.1	173.7	-173.8	20.6	0	0	0	111.1	A169 G173	A169-D171 PolarHBondContact O-N 3.18Å; D171-G173 PolarHBondContact OD1-N 3.45Å
172	L	30.5	Very low	30.5	Very low	174 Å²	174	143 Å²	143	91%	0.911	79%	0.793	S	S	*	*			trans	-141.6	64	178.6	-168	79	0	0	0	110.4
173	G	30.2	Very low	30.3	Very low	52 Å²	52	143.9 Å²	143.9	54%	0.536	80%	0.802	S	S	.	*			trans	-88.4	163.2	162.5	0	0	0	0	0	112.5	D171	D171-G173 PolarHBondContact OD1-N 3.45Å
174	V	30.9	Very low	30.2	Very low	137 Å²	137	139.2 Å²	139.2	83%	0.83	80%	0.802	S	S	*	*			cis	-156	146.6	-3.9	-168.3	0	0	0	0	107.2
175	M	28.2	Very low	30.1	Very low	168 Å²	168	142 Å²	142	83%	0.828	81%	0.811	S	S	*	*				164.3	120.9	129.1	-90.1	-178.5	70.4	0	0	113.9
176	L	30.7	Very low	30.3	Very low	170 Å²	170	136.3 Å²	136.3	89%	0.89	81%	0.806	S	S	*	*			trans	-126	132.3	150.9	-83.2	172.4	0	0	0	108.1
177	P	47	Very low	30.4	Very low	117 Å²	117	139 Å²	139	76%	0.76	81%	0.806	S	S	*	*			trans	-81.9	168.7	171.8	34.2	-34	0	0	0	112
178	A	24.9	Very low	30.3	Very low	92 Å²	92	138.3 Å²	138.3	76%	0.76	81%	0.809	S	S	*	*			trans	-95.6	158.6	-165.5	0	0	0	0	0	116
179	I	35.4	Very low	30.1	Very low	159 Å²	159	141.7 Å²	141.7	82%	0.815	82%	0.815	S	S	*	*			trans	2.7	121.8	154.1	-51.7	170.8	0	0	0	116.7
180	K	25.7	Very low	30.2	Very low	205 Å²	205	143.1 Å²	143.1	89%	0.891	82%	0.819	S	S	*	*			trans	-145.1	166.7	141.7	-80.5	-151.1	175.7	-178.6	0	112.4
181	T	28.7	Very low	30.1	Very low	113 Å²	113	138 Å²	138	69%	0.693	81%	0.812	S	S	*	*			trans	-85.5	-171.9	-166.8	-34.9	0	0	0	0	113.2
182	E	29.9	Very low	30.4	Very low	175 Å²	175	139 Å²	139	82%	0.818	82%	0.816	S	S	*	*			trans	70.2	143.1	179.3	-30.1	-50.3	134.2	0	0	114.2
183	G	27.1	Very low	30.4	Very low	82 Å²	82	138.9 Å²	138.9	85%	0.845	81%	0.811	S	S	*	*			cis	149.1	110.7	-7.5	0	0	0	0	0	111.6
184	G	27.2	Very low	30.4	Very low	82 Å²	82	142.4 Å²	142.4	85%	0.845	83%	0.827	S	S	*	*			trans	155.4	129.3	172.8	0	0	0	0	0	118
185	L	31.3	Very low	30.3	Very low	161 Å²	161	139.6 Å²	139.6	84%	0.843	83%	0.826	S	S	*	*			trans	-47.4	152.9	168.9	-72.2	138.7	0	0	0	114.2
186	S	31.9	Very low	30.3	Very low	119 Å²	119	137.9 Å²	137.9	83%	0.832	83%	0.829	S	S	*	*				-162.5	159.8	75.7	-68.7	0	0	0	0	117.2
187	Q	29.2	Very low	30.4	Very low	168 Å²	168	137.3 Å²	137.3	79%	0.785	83%	0.826	S	S	*	*			trans	-51.6	148.1	-173.2	-57.5	165.4	-6.3	0	0	117.4
188	T	30.2	Very low	29.6	Very low	146 Å²	146	136.3 Å²	136.3	90%	0.896	82%	0.821	S	S	*	*				-162.3	167.9	101.8	15.4	0	0	0	0	111.6
189	Q	28	Very low	29.8	Very low	184 Å²	184	142.8 Å²	142.8	86%	0.86	83%	0.828	S	S	*	*			trans	-109	150.5	-164.8	-56.8	166.1	-68.4	0	0	113.3
190	S	30.1	Very low	29.8	Very low	123 Å²	123	140.2 Å²	140.2	86%	0.86	82%	0.824	S	S	*	*			trans	-159.4	133	131	60.8	0	0	0	0	111.1
191	T	27.5	Very low	31	Very low	118 Å²	118	136.8 Å²	136.8	72%	0.724	82%	0.822	S	S	*	*			trans	-106.5	148.4	-175.2	-46.4	0	0	0	0	111.1
192	L	33.3	Very low	30.9	Very low	175 Å²	175	134.3 Å²	134.3	92%	0.916	82%	0.819	S	S	*	*			trans	-160.2	153.1	143.1	-109.3	167.9	0	0	0	111.3
193	Q	30.8	Very low	31.3	Very low	171 Å²	171	135.7 Å²	135.7	80%	0.799	82%	0.823	S	S	*	*			trans	-132.9	140.4	-173.9	-65.7	179.1	-67	0	0	112.8
194	S	29.8	Very low	31.5	Very low	126 Å²	126	137 Å²	137	88%	0.881	82%	0.819	S	S	*	*			trans	179.2	137.3	143.7	-77.8	0	0	0	0	106.1
195	G	29.6	Very low	32	Very low	77 Å²	77	139.4 Å²	139.4	79%	0.794	82%	0.818	S	S	*	*			cis	100.8	121.9	49.9	0	0	0	0	0	107.2
196	C	28.7	Very low	32.7	Very low	133 Å²	133	137.5 Å²	137.5	90%	0.899	82%	0.815	S	S	*	*			cis	-152.2	176.5	23.8	52.7	0	0	0	0	114.7
197	L	32.7	Very low	32.8	Very low	158 Å²	158	140.4 Å²	140.4	83%	0.827	82%	0.816	S	S	*	*			trans	-75.3	172.3	174.3	-60.8	164.6	0	0	0	111.6
198	S	30.2	Very low	33.8	Very low	95 Å²	95	138.1 Å²	138.1	66%	0.664	82%	0.815	S	S	*	*			cis	175	159.2	-24.8	-80.8	0	0	0	0	106.9
199	Y	28.3	Very low	33.8	Very low	229 Å²	229	134.7 Å²	134.7	90%	0.898	81%	0.809	S	S	*	*			trans	-171.8	148.6	141.9	-118	-77.3	0	0	0	114
200	S	35.2	Very low	33.9	Very low	105 Å²	105	134.6 Å²	134.6	73%	0.734	81%	0.808	S	S	*	*			trans	-155.6	155.7	168.8	-55.2	0	0	0	0	109.3
201	P	51.6	Low	33.9	Very low	132 Å²	132	134.4 Å²	134.4	86%	0.857	80%	0.802	S	S	*	*				-149.5	177.9	110.4	36.5	-18.6	0	0	0	113.2
202	G	26.6	Very low	34.5	Very low	61 Å²	61	133.3 Å²	133.3	63%	0.629	80%	0.797	S	S	*	*			cis	-166.8	157.7	-0.1	0	0	0	0	0	110.8
203	F	38.9	Very low	34.3	Very low	205 Å²	205	135.3 Å²	135.3	90%	0.899	79%	0.794	S	S	*	*				66.5	134.2	97	-88.2	-87.2	0	0	0	115.6
204	S	30.8	Very low	34	Very low	109 Å²	109	131.1 Å²	131.1	76%	0.762	78%	0.784	S	S	*	*			cis	-151.8	-177.6	28.3	-66.2	0	0	0	0	115.7
205	T	36.4	Very low	33.9	Very low	132 Å²	132	134.6 Å²	134.6	81%	0.81	78%	0.779	S	S	*	*			trans	-94.8	-167.2	179.9	58.1	0	0	0	0	113
206	P	46.8	Very low	33.7	Very low	121 Å²	121	138.5 Å²	138.5	79%	0.786	78%	0.776	S	S	*	*			cis	-140	-165.8	-2.1	43.1	-22	0	0	0	117.1
207	Q	35	Very low	33.9	Very low	181 Å²	181	140.6 Å²	140.6	85%	0.846	78%	0.775	S	S	*	*			trans	-91.7	-174.7	165.4	-86.5	-167.6	-6.3	0	0	111.9
208	P	49.2	Very low	34.2	Very low	119 Å²	119	138.4 Å²	138.4	77%	0.773	77%	0.77	S	S	*	*			cis	-145.1	169.7	10.4	43.5	-24	0	0	0	120.5
209	G	30.5	Very low	34.1	Very low	74 Å²	74	136.9 Å²	136.9	76%	0.763	77%	0.769	S	S	*	*				84.3	136.4	125.6	0	0	0	0	0	124.1
210	Q	29.2	Very low	34.3	Very low	183 Å²	183	131.6 Å²	131.6	86%	0.855	77%	0.766	S	S	*	*			trans	175.4	169.3	136.7	-92	-62.6	-7.3	0	0	111.5
211	T	31.9	Very low	33.9	Very low	118 Å²	118	130.6 Å²	130.6	72%	0.724	76%	0.759	S	S	*	*			trans	-130.2	-161.3	-168.7	62.2	0	0	0	0	111.9
212	P	39.8	Very low	32.9	Very low	95 Å²	95	133.9 Å²	133.9	62%	0.617	76%	0.76	S	S	*	*			cis	-143.2	-173.9	-4.6	28.7	-1.2	0	0	0	118.1
213	Y	27.5	Very low	32.9	Very low	217 Å²	217	135.6 Å²	135.6	85%	0.851	77%	0.769	S	S	*	*			trans	67	158.7	163.9	-65.4	-72.9	0	0	0	120.1
214	S	26.1	Very low	32.3	Very low	84 Å²	84	131.7 Å²	131.7	59%	0.587	77%	0.767	S	S	*	*			cis	-178.4	149.3	-43.1	55.1	0	0	0	0	111.5
215	Y	27.6	Very low	32.1	Very low	198 Å²	198	132.5 Å²	132.5	78%	0.776	77%	0.772	S	S	*	*				173.2	156.9	127.8	-117.2	-104.3	0	0	0	116.8
216	Q	25.8	Very low	31.7	Very low	159 Å²	159	130.9 Å²	130.9	74%	0.743	77%	0.766	S	S	*	*			trans	16.2	136	161.6	-84.1	168.2	-19.9	0	0	124.4
217	M	32.2	Very low	30.8	Very low	177 Å²	177	131 Å²	131	87%	0.872	77%	0.765	S	S	*	*				-140.5	140.4	125.3	-82.1	-61.7	-73.7	0	0	110.1
218	P	37.9	Very low	30.7	Very low	113 Å²	113	128.4 Å²	128.4	73%	0.734	76%	0.756	S	S	*	*			trans	-89.2	166.3	166	36.7	-33.7	0	0	0	111.6
219	G	29.7	Very low	29.7	Very low	62 Å²	62	132.4 Å²	132.4	64%	0.639	76%	0.757	S	S	*	*			cis	156.1	119.5	-9	0	0	0	0	0	113.5
220	S	31.3	Very low	29.6	Very low	118 Å²	118	133.2 Å²	133.2	83%	0.825	76%	0.756	S	S	*	*			trans	68.6	159.8	167.3	77.9	0	0	0	0	119.2
221	S	28	Very low	29.5	Very low	85 Å²	85	130.8 Å²	130.8	59%	0.594	75%	0.749	S	S	*	*			cis	-176	167.2	-31.7	-88.2	0	0	0	0	110.2
222	F	29.3	Very low	29.4	Very low	201 Å²	201	131.8 Å²	131.8	88%	0.882	75%	0.75	S	S	*	*			trans	75	149.4	160.6	-49	-58.6	0	0	0	117.3
223	A	27.7	Very low	28.9	Very low	97 Å²	97	132 Å²	132	80%	0.802	75%	0.753	S	S	*	*			cis	-152.2	165.1	-7.2	0	0	0	0	0	111.8
224	S	25.9	Very low	29	Very low	123 Å²	123	128.1 Å²	128.1	86%	0.86	75%	0.752	S	S	*	*			trans	-85.1	152.3	-179.7	-35.3	0	0	0	0	113.9
225	S	26.7	Very low	29.2	Very low	125 Å²	125	130.6 Å²	130.6	87%	0.874	76%	0.764	S	S	*	*			trans	-157.1	164.2	139.3	53.3	0	0	0	0	110.8
226	S	28.6	Very low	29.2	Very low	99 Å²	99	128.6 Å²	128.6	69%	0.692	77%	0.767	S	S	*	*			trans	-120.7	-152.5	-166.2	58.7	0	0	0	0	111.3
227	T	28.2	Very low	29.6	Very low	122 Å²	122	127 Å²	127	75%	0.748	77%	0.773	S	S	*	*			trans	72	134.2	162	30.5	0	0	0	0	117.4
228	I	31.4	Very low	29.6	Very low	128 Å²	128	124.1 Å²	124.1	66%	0.656	77%	0.766	S	S	*	*			cis	-168.6	147.9	-13.3	-126.3	-164.9	0	0	0	110.2
229	Y	28.9	Very low	29.3	Very low	203 Å²	203	125.4 Å²	125.4	80%	0.796	77%	0.766	S	S	*	*			trans	60.4	124.2	158.9	-75	-116.7	0	0	0	118.8
230	A	27.5	Very low	29.5	Very low	90 Å²	90	131.3 Å²	131.3	74%	0.744	77%	0.774	S	S	*	*				84.2	148.8	81	0	0	0	0	0	114
231	N	27.5	Very low	29.4	Very low	133 Å²	133	130.9 Å²	130.9	71%	0.711	77%	0.772	S	S	*	*			cis	-168.3	134.7	-19.1	171.6	41.4	0	0	0	110.2
232	N	31	Very low	29.5	Very low	139 Å²	139	130.5 Å²	130.5	74%	0.743	78%	0.781	S	S	*	*			trans	60.1	168.1	154.6	-105.8	-66.8	0	0	0	125.2
233	S	28.2	Very low	29.5	Very low	98 Å²	98	126.2 Å²	126.2	69%	0.685	78%	0.776	S	S	*	*			trans	71.7	89.2	152.3	47.9	0	0	0	0	121
234	V	30	Very low	29.5	Very low	136 Å²	136	129.4 Å²	129.4	82%	0.824	78%	0.775	S	S	*	*				-23	135.4	129.5	176	0	0	0	0	115.2
235	T	29.4	Very low	29.9	Very low	137 Å²	137	130.9 Å²	130.9	84%	0.84	77%	0.768	S	S	*	*				-169.3	157.6	129.2	11.4	0	0	0	0	114.2
236	N	29.2	Very low	29.8	Very low	156 Å²	156	133 Å²	133	83%	0.834	76%	0.764	S	S	*	*			trans	-74	155	175.1	-73.1	-32.1	0	0	0	112.9
237	S	33.3	Very low	29.6	Very low	124 Å²	124	138 Å²	138	87%	0.867	77%	0.769	S	S	*	*				-176.5	176.1	113.3	43.7	0	0	0	0	112.4
238	T	32.2	Very low	29.5	Very low	118 Å²	118	138.2 Å²	138.2	72%	0.724	77%	0.771	S	S	*	*			trans	-113.8	166.6	-159.8	49.7	0	0	0	0	114.3
239	N	31.2	Very low	29.4	Very low	139 Å²	139	135.3 Å²	135.3	74%	0.743	76%	0.761	S	S	*	*			trans	112.2	116	140.4	-72.3	-26.2	0	0	0	122
240	F	33.3	Very low	29.4	Very low	186 Å²	186	136 Å²	136	82%	0.816	76%	0.764	S	S	*	*				69.7	106.4	128.1	-101.2	-112.8	0	0	0	123.9
241	S	30.3	Very low	29.4	Very low	110 Å²	110	138.1 Å²	138.1	77%	0.769	77%	0.768	S	S	*	*				90.2	134.6	115.1	72	0	0	0	0	123.3
242	G	29.9	Very low	29.5	Very low	77 Å²	77	135.3 Å²	135.3	79%	0.794	76%	0.764	S	S	*	*			trans	97.5	142.2	159.2	0	0	0	0	0	116
243	S	29.5	Very low	29.6	Very low	111 Å²	111	138.3 Å²	138.3	78%	0.776	77%	0.77	S	S	*	*			cis	-169.7	174.1	-14.4	58.6	0	0	0	0	110.7
244	Q	28.2	Very low	29.7	Very low	164 Å²	164	137 Å²	137	77%	0.766	77%	0.772	S	S	*	*			trans	88.1	147.4	161.9	-66.9	-71.4	9.8	0	0	121.7
245	Q	32.9	Very low	29.8	Very low	154 Å²	154	138.2 Å²	138.2	72%	0.72	77%	0.769	S	S	*	*			trans	65.2	141.7	160.5	-70.3	177.2	-58.3	0	0	119.4
246	E	26.2	Very low	29.8	Very low	170 Å²	170	137.3 Å²	137.3	79%	0.794	76%	0.759	S	S	*	*			cis	-155.6	-179.4	-12.8	-131.9	158.8	-137.7	0	0	110.2
247	Y	23.8	Very low	29.8	Very low	202 Å²	202	136.5 Å²	136.5	79%	0.792	75%	0.75	S	S	*	*			trans	-134.8	143.3	-164.1	-165	-85.5	0	0	0	114.8	S249	Y247-S249 WeakPolarHBondContact CE1-OG 3.48Å
248	T	26.6	Very low	29.6	Very low	128 Å²	128	140.8 Å²	140.8	79%	0.785	75%	0.749	S	S	*	*			trans	156.2	120.3	162.9	-76.3	0	0	0	0	108.2
249	S	28.1	Very low	29.4	Very low	66 Å²	66	139 Å²	139	46%	0.462	75%	0.746	S	S	.	*			cis	75	107.3	38.3	-51.3	0	0	0	0	113.2	Y247	Y247-S249 WeakPolarHBondContact CE1-OG 3.48Å
250	Y	29.2	Very low	29.3	Very low	217 Å²	217	140.5 Å²	140.5	85%	0.851	75%	0.748	S	S	*	*				-160.6	176.1	55.6	-104.2	-91.8	0	0	0	108.5
251	T	28.6	Very low	28.9	Very low	135 Å²	135	141.9 Å²	141.9	83%	0.828	75%	0.75	S	S	*	*				-158.7	162.1	54.8	45.3	0	0	0	0	114.4
252	A	28.6	Very low	29.1	Very low	75 Å²	75	147 Å²	147	62%	0.62	75%	0.753	S	S	*	*			trans	-103.8	178.3	162.7	0	0	0	0	0	109.1
253	F	32.9	Very low	29.3	Very low	202 Å²	202	148.1 Å²	148.1	89%	0.886	75%	0.747	S	S	*	*			cis	-164.3	161.6	36.6	-130.6	-76.9	0	0	0	111
254	G	31.4	Very low	29.3	Very low	70 Å²	70	147.6 Å²	147.6	72%	0.722	75%	0.75	S	S	*	*			trans	-170.9	147.2	168.8	0	0	0	0	0	113.1
255	Q	31	Very low	29.2	Very low	161 Å²	161	145.2 Å²	145.2	75%	0.752	75%	0.751	S	S	*	*			trans	-120.8	173.3	-170.6	-71.2	-176	-28.8	0	0	114.1
256	N	28.8	Very low	29.1	Very low	119 Å²	119	143.9 Å²	143.9	64%	0.636	75%	0.753	S	S	*	*			trans	89.1	136.7	152.7	-62.7	-54.4	0	0	0	118.9
257	Q	30.1	Very low	29.3	Very low	138 Å²	138	147.1 Å²	147.1	65%	0.645	76%	0.76	S	S	*	*			cis	-155.7	166.5	-25.3	-77	-169.5	12.2	0	0	109.8
258	Y	28	Very low	29.6	Very low	215 Å²	215	141.2 Å²	141.2	84%	0.843	76%	0.76	S	S	*	*			trans	65	154	169.4	-64.3	-87.5	0	0	0	118.3
259	A	28.6	Very low	29.6	Very low	80 Å²	80	139 Å²	139	66%	0.661	76%	0.755	S	S	*	*			cis	-163.2	157	-34.2	0	0	0	0	0	110.7
260	Q	28.8	Very low	29.6	Very low	171 Å²	171	146.1 Å²	146.1	80%	0.799	77%	0.773	S	S	*	*			trans	-84.4	145.8	172	-80.6	-80.7	-38.9	0	0	111.3
261	Y	25.8	Very low	29.7	Very low	215 Å²	215	143 Å²	143	84%	0.843	77%	0.768	S	S	*	*			trans	-141.1	100	171.1	-120.1	-86.9	0	0	0	112
262	Y	34.1	Very low	29.7	Very low	216 Å²	216	142.7 Å²	142.7	85%	0.847	77%	0.767	S	S	*	*			trans	-115.8	148.7	151.5	-94.2	-82.4	0	0	0	107
263	P	34.7	Very low	29.6	Very low	102 Å²	102	143.9 Å²	143.9	66%	0.662	77%	0.771	S	S	*	*			trans	-128.4	135.6	142.1	34.3	-24.2	0	0	0	112
264	A	28.8	Very low	29.6	Very low	100 Å²	100	139.6 Å²	139.6	83%	0.826	77%	0.765	S	S	*	*			trans	-91.5	153.3	157.4	0	0	0	0	0	109.1
265	S	26.9	Very low	29.6	Very low	113 Å²	113	143.6 Å²	143.6	79%	0.79	77%	0.771	S	S	*	*			trans	-133.7	136.2	-178.2	-63.6	0	0	0	0	111.1
266	T	29.2	Very low	29.6	Very low	126 Å²	126	141.9 Å²	141.9	77%	0.773	77%	0.771	S	S	*	*			trans	-150.4	127.8	-175.2	-65.1	0	0	0	0	110.7
267	Y	31	Very low	30	Very low	239 Å²	239	143.2 Å²	143.2	94%	0.937	78%	0.783	S	S	*	*			trans	65.8	146.3	169.4	-92.7	-110	0	0	0	120
268	G	30.3	Very low	30	Very low	77 Å²	77	144.5 Å²	144.5	79%	0.794	79%	0.794	S	S	*	*			trans	137.6	136.7	171.7	0	0	0	0	0	113.2
269	A	26.2	Very low	30.2	Very low	83 Å²	83	136.9 Å²	136.9	69%	0.686	78%	0.781	S	S	*	*			trans	-134.5	162	-177.6	0	0	0	0	0	112.4
270	Y	28.6	Very low	30.5	Very low	214 Å²	214	139.6 Å²	139.6	84%	0.839	79%	0.79	S	S	*	*				157.7	128.6	125.4	-82.7	-61.4	0	0	0	114.6
271	M	30.9	Very low	30.6	Very low	151 Å²	151	136.2 Å²	136.2	74%	0.744	79%	0.785	S	S	*	*			trans	67.7	122.3	148.8	-60.5	-58.8	-175.7	0	0	124.2
272	T	28.8	Very low	30.8	Very low	130 Å²	130	131.1 Å²	131.1	80%	0.798	78%	0.781	S	S	*	*			trans	66.4	143.8	140.1	51.7	0	0	0	0	120.9
273	S	27.5	Very low	30.6	Very low	100 Å²	100	126.3 Å²	126.3	70%	0.699	78%	0.779	S	S	*	*			cis	-165.9	154.9	0.8	46.5	0	0	0	0	113.7
274	S	31.8	Very low	30.6	Very low	111 Å²	111	127.7 Å²	127.7	78%	0.776	79%	0.786	S	S	*	*			trans	68.7	132.7	158.4	-51.6	0	0	0	0	117.8
275	N	31.1	Very low	30.6	Very low	155 Å²	155	128.5 Å²	128.5	83%	0.829	79%	0.785	S	S	*	*			cis	-148.2	156.7	49.9	-106.1	-10.2	0	0	0	116
276	T	31.6	Very low	30.7	Very low	125 Å²	125	129 Å²	129	77%	0.767	78%	0.784	S	S	*	*			trans	-32.4	137.2	172.1	53.5	0	0	0	0	121.6
277	V	36.8	Very low	30.8	Very low	147 Å²	147	133 Å²	133	89%	0.891	79%	0.786	S	S	*	*				-150.2	145.4	126	-161.4	0	0	0	0	109
278	D	31.5	Very low	30.6	Very low	164 Å²	164	130.6 Å²	130.6	88%	0.877	78%	0.784	S	S	*	*			trans	-77.1	159	170.6	-79.2	-59.1	0	0	0	112.9
279	G	30.8	Very low	30.7	Very low	55 Å²	55	134.7 Å²	134.7	57%	0.567	79%	0.787	S	S	*	*			cis	171.8	165.6	-4.4	0	0	0	0	0	113.1
280	T	35	Very low	30.7	Very low	138 Å²	138	139 Å²	139	85%	0.847	79%	0.793	S	S	*	*			trans	43.2	130.7	158.8	53.9	0	0	0	0	121.1
281	S	31.6	Very low	30.6	Very low	100 Å²	100	137 Å²	137	70%	0.699	79%	0.791	S	S	*	*			cis	-163.8	151	3.3	-88.5	0	0	0	0	113.4
282	S	30.4	Very low	30.3	Very low	107 Å²	107	135.4 Å²	135.4	75%	0.748	79%	0.794	S	S	*	*			trans	43.2	118	147.4	-48	0	0	0	0	120.9
283	S	29.8	Very low	30.3	Very low	115 Å²	115	137.3 Å²	137.3	80%	0.804	80%	0.799	S	S	*	*			cis	98.2	118.2	31.3	77.4	0	0	0	0	115.5
284	T	33.5	Very low	31.1	Very low	131 Å²	131	138.3 Å²	138.3	80%	0.804	80%	0.803	S	S	*	*			trans	-90.4	157.8	169.1	44.8	0	0	0	0	112.1
285	S	29.5	Very low	30.8	Very low	118 Å²	118	135.9 Å²	135.9	83%	0.825	80%	0.796	S	S	*	*			trans	-167.3	100.8	158.6	-84.7	0	0	0	0	115.2
286	T	28.5	Very low	30.7	Very low	124 Å²	124	136.8 Å²	136.8	76%	0.761	80%	0.799	S	S	*	*				33.5	112.5	117.3	-39.7	0	0	0	0	121.9
287	Y	31.3	Very low	30.5	Very low	209 Å²	209	137 Å²	137	82%	0.82	80%	0.801	S	S	*	*			trans	23	138.6	143.6	-63.4	-86.9	0	0	0	124.5
288	Q	26.7	Very low	30.1	Very low	189 Å²	189	134.9 Å²	134.9	88%	0.883	79%	0.792	S	S	*	*			trans	-137.9	167.2	132	-74.5	-159.7	-8.5	0	0	110.8
289	L	32.7	Very low	30.1	Very low	163 Å²	163	135.2 Å²	135.2	85%	0.853	79%	0.789	S	S	*	*			trans	-97.7	153.6	-177.1	-71.6	73.8	0	0	0	111.9
290	Q	26.1	Very low	30.4	Very low	174 Å²	174	138.7 Å²	138.7	81%	0.813	80%	0.801	S	S	*	*				166.2	110.7	107.9	-172.9	161	-9.3	0	0	114.4
291	E	27	Very low	30.3	Very low	172 Å²	172	134.8 Å²	134.8	80%	0.804	79%	0.789	S	S	*	*			trans	26	114.9	142.7	-165.9	166.1	-134.7	0	0	122.3
292	S	24.3	Very low	30.2	Very low	117 Å²	117	138.4 Å²	138.4	82%	0.818	80%	0.795	S	S	*	*			trans	-179.1	155.8	131.1	32.6	0	0	0	0	114
293	L	30.1	Very low	30.3	Very low	169 Å²	169	141.9 Å²	141.9	89%	0.885	80%	0.796	S	S	*	*			trans	-120	178.1	170.2	-117.5	80.9	0	0	0	108.2
294	P	42.3	Very low	30.3	Very low	121 Å²	121	142.3 Å²	142.3	79%	0.786	79%	0.79	S	S	*	*			cis	-140.2	175.9	12.5	42.6	-24.6	0	0	0	117.8
295	G	25.8	Very low	30.3	Very low	61 Å²	61	141.3 Å²	141.3	63%	0.629	78%	0.784	S	S	*	*				116.2	125.5	124.1	0	0	0	0	0	121.7
296	L	30.3	Very low	30.3	Very low	173 Å²	173	141.4 Å²	141.4	91%	0.906	78%	0.779	S	S	*	*			trans	65.6	143.6	148.2	-59.5	168.8	0	0	0	118.2
297	T	26	Very low	30.4	Very low	130 Å²	130	144.1 Å²	144.1	80%	0.798	78%	0.783	S	S	*	*			cis	-122.8	-154.8	6.2	49.9	0	0	0	0	109.6
298	S	28.5	Very low	30.5	Very low	102 Å²	102	139.5 Å²	139.5	71%	0.713	78%	0.782	S	S	*	*			cis	-156.5	-165.7	5.8	65.4	0	0	0	0	111.6
299	Q	32.8	Very low	31.2	Very low	172 Å²	172	136 Å²	136	80%	0.804	78%	0.775	S	S	*	*			trans	-140.3	179.8	167	-68	-166.4	-22.6	0	0	110.3
300	P	37.2	Very low	31.1	Very low	127 Å²	127	133.8 Å²	133.8	83%	0.825	77%	0.773	S	S	*	*				-118.2	171.9	74.6	38.1	-33.1	0	0	0	113.1
301	G	32.5	Very low	31.6	Very low	57 Å²	57	131.9 Å²	131.9	59%	0.588	77%	0.774	S	S	*	*			cis	112.1	131.4	15.4	0	0	0	0	0	110.1
302	E	29.8	Very low	32.5	Very low	176 Å²	176	129.2 Å²	129.2	82%	0.822	77%	0.771	S	S	*	*			cis	-154.8	159.6	10.2	-76.2	-175.2	104.4	0	0	113
303	F	32.6	Very low	33	Very low	179 Å²	179	130.5 Å²	130.5	79%	0.785	77%	0.767	S	S	*	*			trans	26.1	158.4	138.4	-70.1	-97.5	0	0	0	123.2
304	D	29.5	Very low	33.3	Very low	125 Å²	125	130.3 Å²	130.3	67%	0.668	76%	0.759	S	S	*	*			cis	-153	-174.1	4.1	-147.6	-33.4	0	0	0	112.4
305	T	32.3	Very low	32.6	Very low	109 Å²	109	129.6 Å²	129.6	67%	0.669	75%	0.749	S	S	*	*			trans	-50.2	170.7	166.6	51.3	0	0	0	0	115.7
306	V	31	Very low	32.9	Very low	120 Å²	120	133.3 Å²	133.3	73%	0.727	75%	0.754	S	S	*	*			cis	-161.6	170.9	38.9	-139.7	0	0	0	0	113.5
307	Q	29.1	Very low	33	Very low	181 Å²	181	131.9 Å²	131.9	85%	0.846	75%	0.747	S	S	*	*			trans	75.8	136.7	154.8	-71.3	176.7	13.2	0	0	121.9
308	S	33.5	Very low	33.5	Very low	113 Å²	113	130.7 Å²	130.7	79%	0.79	74%	0.736	S	S	*	*			trans	-116.9	176.3	159.7	-36.7	0	0	0	0	107.1
309	P	42.9	Very low	33.8	Very low	116 Å²	116	135.4 Å²	135.4	75%	0.753	74%	0.738	S	S	*	*			cis	-148.9	177.3	30.5	42.4	-21.5	0	0	0	118.2
310	S	30.2	Very low	33.7	Very low	116 Å²	116	132.9 Å²	132.9	81%	0.811	73%	0.734	S	S	*	*			trans	147.6	147	130.4	-65.1	0	0	0	0	114.3
311	T	35.3	Very low	33.8	Very low	134 Å²	134	133 Å²	133	82%	0.822	74%	0.736	S	S	*	*			trans	-110.2	168.5	-179.3	55.2	0	0	0	0	112.5
312	P	45.8	Very low	33.8	Very low	115 Å²	115	141.4 Å²	141.4	75%	0.747	75%	0.751	S	S	*	*				-143.2	163.6	112	38.1	-23.6	0	0	0	112.5
313	I	36.1	Very low	33.8	Very low	145 Å²	145	138.5 Å²	138.5	74%	0.744	75%	0.75	S	S	*	*			cis	-161	146.6	-2.8	-121.7	168.9	0	0	0	110
314	K	35.8	Very low	33.8	Very low	164 Å²	164	135.8 Å²	135.8	71%	0.713	75%	0.753	S	S	*	*			trans	59.3	155.7	157.7	-74.5	177.5	144.5	-74.4	0	119.8
315	D	28.5	Very low	34.2	Very low	106 Å²	106	133.8 Å²	133.8	57%	0.567	76%	0.762	S	S	*	*			cis	-148.1	154.7	-0.2	-111.2	-31.9	0	0	0	110.8
316	L	32.2	Very low	34.2	Very low	139 Å²	139	134.5 Å²	134.5	73%	0.728	77%	0.771	S	S	*	*			trans	48.9	115.9	163.5	-82.9	52.5	0	0	0	119
317	D	31.8	Very low	34.4	Very low	143 Å²	143	138.4 Å²	138.4	77%	0.765	78%	0.779	S	S	*	*				74.7	135	63.2	-69.2	-44.7	0	0	0	115
318	D	35.6	Very low	34.5	Very low	105 Å²	105	135.8 Å²	135.8	56%	0.561	78%	0.78	S	S	*	*			cis	-163.4	167.5	-19.9	-168	20.8	0	0	0	110.4
319	R	36.2	Very low	35.2	Very low	201 Å²	201	142.5 Å²	142.5	76%	0.758	79%	0.788	S	S	*	*			trans	19.3	138.8	155.5	-78.4	167.1	-165.1	118.9	-2.1	120.1
320	T	30.1	Very low	34.7	Very low	119 Å²	119	140.3 Å²	140.3	73%	0.73	79%	0.787	S	S	*	*			cis	-167.3	151.8	34.9	-9.3	0	0	0	0	112.1
321	C	38.3	Very low	35.3	Very low	129 Å²	129	146.6 Å²	146.6	87%	0.872	79%	0.793	S	S	*	*			trans	-120.8	131.7	166.4	-68.4	0	0	0	0	111.4
322	R	32.7	Very low	35.4	Very low	234 Å²	234	144.1 Å²	144.1	88%	0.883	80%	0.795	S	S	*	*			trans	-147.2	110.9	171	-86.1	-168.7	168.6	-173.4	-2.9	113.3
323	S	31.4	Very low	35.8	Very low	115 Å²	115	150 Å²	150	80%	0.804	80%	0.802	S	S	*	*			trans	47.7	153	135.7	-153.6	0	0	0	0	123.1
324	S	31.3	Very low	36.8	Very low	123 Å²	123	152.4 Å²	152.4	86%	0.86	81%	0.807	S	S	*	*			trans	77.4	140.4	166.3	76.6	0	0	0	0	117.1
325	G	37.4	Very low	37.2	Very low	82 Å²	82	150 Å²	150	85%	0.845	80%	0.802	S	S	*	*			trans	-111.5	167.2	-167.9	0	0	0	0	0	114.5
326	S	32.3	Very low	38.3	Very low	125 Å²	125	147.3 Å²	147.3	87%	0.874	79%	0.787	S	S	*	*			trans	-135.1	161.8	173.7	-169.1	0	0	0	0	111.2	S328	S326-S328 PolarHBondContact O-N 2.69Å
327	K	36.3	Very low	39.3	Very low	202 Å²	202	146 Å²	146	88%	0.878	79%	0.787	S	S	*	*			trans	-78.5	119.2	-165.5	-64	169	-177.8	170.9	0	112	R329	K327-R329 PolarHBondContact O-N 3.1Å
328	S	32	Very low	40.3	Very low	126 Å²	126	142.4 Å²	142.4	88%	0.881	77%	0.773	S	S	*	*			trans	-74.6	81.6	174.9	43.7	0	0	0	0	112.9	S326	S326-S328 PolarHBondContact O-N 2.69Å
329	R	46.2	Very low	41.5	Very low	253 Å²	253	139.2 Å²	139.2	96%	0.955	76%	0.758	S	S	*	*			trans	-111.4	83.3	157.4	-88.5	-173.2	169.5	171.7	-3	109.7	K327	K327-R329 PolarHBondContact O-N 3.1Å
330	G	33.3	Very low	42.4	Very low	71 Å²	71	133.7 Å²	133.7	73%	0.732	75%	0.749	S	S	*	*			trans	-128.5	130.8	174.2	0	0	0	0	0	110.6	G332	G330-G332 PolarHBondContact O-N 2.62Å
331	R	43.5	Very low	43.5	Very low	247 Å²	247	133.8 Å²	133.8	93%	0.932	75%	0.751	S	S	*	*			trans	-64.1	125.1	178.1	-84.5	172.2	155.7	163.2	-9.4	110.7	R333	R331-R333 VanDerWaalsContact C-N 3.33Å; R331-R333 PolarHBondContact O-N 3.4Å
332	G	37.3	Very low	44.3	Very low	83 Å²	83	134.4 Å²	134.4	86%	0.856	75%	0.746	S	S	*	*			trans	-70.5	81.7	169.4	0	0	0	0	0	112.3	G330	G330-G332 PolarHBondContact O-N 2.62Å
333	R	54.2	Low	45.8	Very low	238 Å²	238	125.5 Å²	125.5	90%	0.898	72%	0.72	S	S	*	*			trans	-103.7	82.8	162.7	-107.5	-167.5	174.3	-165.8	-1.9	108.7	R331	R331-R333 VanDerWaalsContact C-N 3.33Å; R331-R333 PolarHBondContact O-N 3.4Å
334	K	57.1	Low	48.3	Very low	195 Å²	195	126.9 Å²	126.9	85%	0.848	72%	0.718	S	S	*	*			trans	-176.4	90	168	-105.1	164	-175.6	-172.8	0	108.8
335	N	43.8	Very low	51.1	Low	113 Å²	113	121.9 Å²	121.9	60%	0.604	68%	0.681	S	S	*	*			trans	-142.8	28.4	170.8	-127.1	24.3	0	0	0	112.5	S415	N335-S415 PolarHBondContact ND2-OG 3.19Å
336	N	52.2	Low	53.8	Low	50 Å²	50	123.3 Å²	123.3	27%	0.267	67%	0.666	S	S	.	*	S	Bend	trans	-142.8	118.5	163.3	-168.5	-34.8	0	0	0	105.3	S338 R568	N336-S338 PolarHBondContact O-N 2.96Å; N336-R568 WeakPolarHBondContact ND2-CD 3.12Å; N336-R568 PolarHBondContact ND2-NE 3.47Å; N336-R568 PolarHBondContact OD1-NE 3.33Å
337	P	51.5	Low	56.9	Low	112 Å²	112	120.8 Å²	120.8	73%	0.727	64%	0.637	S	S	*	*			trans	-70.7	99	172.2	29.3	-31.1	0	0	0	108
338	S	53.6	Low	59.9	Low	67 Å²	67	111.1 Å²	111.1	47%	0.469	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-49.1	144.1	150.5	-73.7	0	0	0	0	108.3	N336 R568	N336-S338 PolarHBondContact O-N 2.96Å; S338-R568 WeakPolarHBondContact CB-O 3.47Å; S338-R568 PolarHBondContact OG-O 3.44Å
339	P	60	Low	63	Low	38 Å²	38	105.1 Å²	105.1	25%	0.247	55%	0.553	C	S	.	*	P	Polyproline II helix	trans	-51.3	147.9	174.2	-22.3	31.4	0	0	0	110.8	S343 L345 F569	P339-S343 VanDerWaalsContact CB-CB 3.47Å; P339-S343 WeakPolarHBondContact CB-OG 3.15Å; P339-L345 HydrophobicContact CG-CD2 3.88Å; P339-F569 HydrophobicContact CG-CD1 3.88Å
340	P	55.9	Low	65.5	Low	86 Å²	86	93.1 Å²	93.1	56%	0.558	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-55	155.6	176.1	24.1	-33.3	0	0	0	110.8	D342 S343	P340-D342 PolarHBondContact O-N 2.96Å; P340-D342 VanDerWaalsContact O-N 3.08Å; P340-S343 WeakPolarHBondContact O-CB 3.41Å; P340-S343 PolarHBondContact O-N 2.96Å
341	P	54.3	Low	68.7	Low	120 Å²	120	89.9 Å²	89.9	78%	0.779	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.1	-179.5	25	-34.1	0	0	0	113
342	D	53.2	Low	71.3	Confident	142 Å²	142	78.7 Å²	78.7	76%	0.759	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	40.2	174.5	-44.1	-65.4	0	0	0	111.4	P340	P340-D342 PolarHBondContact O-N 2.96Å; P340-D342 VanDerWaalsContact O-N 3.08Å
343	S	64.6	Low	74.2	Confident	48 Å²	48	74.7 Å²	74.7	34%	0.336	39%	0.392	S	S	.	.			trans	-88.8	120	175.3	-174.7	0	0	0	0	110.8	P339 P340 L345	P339-S343 VanDerWaalsContact CB-CB 3.47Å; P339-S343 WeakPolarHBondContact CB-OG 3.15Å; P340-S343 WeakPolarHBondContact O-CB 3.41Å; P340-S343 PolarHBondContact O-N 2.96Å; S343-L345 PolarHBondContact O-N 2.66Å; S343-L345 WeakPolarHBondContact OG-CB 3.21Å
344	D	83.5	Confident	76.3	Confident	143 Å²	143	64.2 Å²	64.2	77%	0.765	35%	0.354	S	S	*	.			trans	-72.4	35.9	171.5	-54.1	-47.2	0	0	0	112.7	E346 N518	D344-E346 PolarHBondContact O-N 3.32Å; D344-N518 VanDerWaalsContact O-CA 3.31Å; D344-N518 WeakPolarHBondContact O-CA 3.44Å; D344-N518 VanDerWaalsContact O-CB 3.25Å; D344-N518 WeakPolarHBondContact O-CB 3.27Å
345	L	91.8	Very high	78.3	Confident	19 Å²	19	56.7 Å²	56.7	10%	0.099	32%	0.321	C	S	.	.			trans	-83.2	104.4	178.2	177.3	64.7	0	0	0	108.8	P339 S343 V348 V520 F569 V573	P339-L345 HydrophobicContact CG-CD2 3.88Å; S343-L345 PolarHBondContact O-N 2.66Å; S343-L345 WeakPolarHBondContact OG-CB 3.21Å; L345-V348 HydrophobicContact CD1-CG2 4.41Å; L345-V348 HydrophobicContact CD2-CG2 4.11Å; L345-V520 HydrophobicContact CD1-CB 4.21Å; L345-V520 HydrophobicContact CD1-CG2 3.63Å; L345-F569 HydrophobicContact CD2-CB 4.24Å; L345-F569 HydrophobicContact CD2-CD1 3.56Å; L345-F569 HydrophobicContact CD2-CE1 4.34Å; L345-F569 HydrophobicContact CD2-CG 4.29Å; L345-V573 HydrophobicContact CD2-CG1 4.49Å; L345-V573 HydrophobicContact CD2-CG2 4.07Å; L345-V573 HydrophobicContact CG-CG1 4.19Å; L345-V573 HydrophobicContact CG-CG2 4.11Å
346	E	93.8	Very high	80.9	Confident	112 Å²	112	51.3 Å²	51.3	52%	0.523	29%	0.292	S	S	.	.			trans	-90.9	-37	-179.4	-64.4	-175.9	141.1	0	0	112	D344 N518 V574	D344-E346 PolarHBondContact O-N 3.32Å; E346-N518 HydrophobicContact CB-CB 4.29Å; E346-N518 HydrophobicContact CG-CB 4.16Å; E346-N518 PolarHBondContact N-O 2.84Å; E346-N518 PolarHBondContact OE2-ND2 3.16Å; E346-V574 PolarHBondContact O-N 3.42Å
347	R	96.9	Very high	83.1	Confident	71 Å²	71	48.9 Å²	48.9	27%	0.268	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137.5	-169.7	-54.8	-168.4	177.9	-145.5	0.1	114.3	F349 N518 C519 V520 V574 L616	R347-F349 HydrophobicContact CB-CE2 3.9Å; R347-F349 HydrophobicContact CB-CZ 4.4Å; R347-N518 PolarHBondContact N-O 3.44Å; R347-N518 VanDerWaalsContact N-O 3.08Å; R347-C519 CarbonylContact O-C 3.59Å; R347-C519 VanDerWaalsContact O-CA 3.31Å; R347-C519 WeakPolarHBondContact O-CA 3.26Å; R347-V520 PolarHBondContact O-N 3.29Å; R347-V574 VanDerWaalsContact CA-O 3.32Å; R347-V574 WeakPolarHBondContact CA-O 3.23Å; R347-V574 HydrophobicContact CG-CB 4.38Å; R347-L616 WeakPolarHBondContact CD-OXT 3.31Å; R347-L616 VanDerWaalsContact CZ-OXT 3.26Å; R347-L616 PolarHBondContact NE-OXT 3.26Å; R347-L616 VanDerWaalsContact NH1-C 3.32Å; R347-L616 PolarHBondContact NH1-OXT 3.21Å
348	V	98.4	Very high	85.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.5	170.2	163.8	0	0	0	0	108.6	L345 V350 V520 V522 I565 F569 V573 V574 Y575 V576	L345-V348 HydrophobicContact CD1-CG2 4.41Å; L345-V348 HydrophobicContact CD2-CG2 4.11Å; V348-V350 HydrophobicContact CG1-CG2 3.81Å; V348-V520 WeakPolarHBondContact CA-O 3.27Å; V348-V520 HydrophobicContact CG2-CB 4.23Å; V348-V522 HydrophobicContact CG1-CB 4.3Å; V348-V522 HydrophobicContact CG1-CG2 3.72Å; V348-I565 HydrophobicContact CG1-CG2 4.23Å; V348-F569 HydrophobicContact CG2-CB 4.23Å; V348-F569 HydrophobicContact CG2-CD1 4.16Å; V348-F569 HydrophobicContact CG2-CD2 4.21Å; V348-F569 HydrophobicContact CG2-CG 3.96Å; V348-V573 HydrophobicContact CB-CG1 4.04Å; V348-V573 HydrophobicContact CG2-CG1 3.74Å; V348-V574 PolarHBondContact N-O 2.99Å; V348-Y575 HydrophobicContact CB-CD1 3.78Å; V348-Y575 HydrophobicContact CB-CE1 3.89Å; V348-Y575 HydrophobicContact CG1-CD1 3.78Å; V348-Y575 HydrophobicContact CG1-CE1 3.96Å; V348-Y575 HydrophobicContact CG2-CE1 4.31Å; V348-Y575 WeakPolarHBondContact O-CA 3.3Å; V348-V576 PolarHBondContact O-N 3.39Å
349	F	98.8	Very high	87.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	114.1	177.3	-65.8	-91	0	0	0	108.9	R347 I513 C519 V520 V522 V576 I578 L611 L616	R347-F349 HydrophobicContact CB-CE2 3.9Å; R347-F349 HydrophobicContact CB-CZ 4.4Å; F349-I513 HydrophobicContact CB-CD1 4.02Å; F349-I513 HydrophobicContact CB-CG2 4.48Å; F349-I513 HydrophobicContact CD1-CD1 3.82Å; F349-I513 HydrophobicContact CD1-CG1 4.48Å; F349-I513 HydrophobicContact CD2-CB 4.32Å; F349-I513 HydrophobicContact CD2-CD1 3.83Å; F349-I513 HydrophobicContact CD2-CG1 3.84Å; F349-I513 HydrophobicContact CD2-CG2 3.48Å; F349-I513 VanDerWaalsContact CD2-CG2 3.48Å; F349-I513 HydrophobicContact CE1-CD1 4.19Å; F349-I513 HydrophobicContact CE1-CG1 4.49Å; F349-I513 HydrophobicContact CE2-CD1 4.21Å; F349-I513 HydrophobicContact CE2-CG1 3.86Å; F349-I513 HydrophobicContact CE2-CG2 3.99Å; F349-I513 HydrophobicContact CG-CD1 3.6Å; F349-I513 HydrophobicContact CG-CG1 4.14Å; F349-I513 HydrophobicContact CG-CG2 4.19Å; F349-I513 HydrophobicContact CZ-CD1 4.36Å; F349-I513 HydrophobicContact CZ-CG1 4.18Å; F349-C519 HydrophobicContact CD2-CB 4.46Å; F349-C519 HydrophobicContact CE2-CB 4.05Å; F349-V520 PolarHBondContact N-O 3.36Å; F349-V522 PolarHBondContact O-N 3.39Å; F349-V522 VanDerWaalsContact O-O 3.13Å; F349-V576 CarbonylContact C-O 3.47Å; F349-V576 WeakPolarHBondContact CA-O 3.4Å; F349-V576 HydrophobicContact CD1-CB 3.84Å; F349-V576 HydrophobicContact CD1-CG1 4.13Å; F349-V576 HydrophobicContact CD1-CG2 4.46Å; F349-V576 HydrophobicContact CE1-CB 4.04Å; F349-V576 HydrophobicContact CE1-CG1 4.24Å; F349-V576 HydrophobicContact CE1-CG2 4.2Å; F349-I578 HydrophobicContact CB-CD1 4.37Å; F349-I578 HydrophobicContact CD1-CD1 3.92Å; F349-L611 HydrophobicContact CE1-CD2 3.91Å; F349-L611 HydrophobicContact CZ-CD2 3.76Å; F349-L616 HydrophobicContact CE1-CB 4.37Å; F349-L616 WeakPolarHBondContact CZ-OXT 3.41Å
350	V	98.8	Very high	89.3	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	100.7	-176.1	-171.3	0	0	0	0	108.5	V348 V522 V524 F562 I565 Y575 V576 V577 I578	V348-V350 HydrophobicContact CG1-CG2 3.81Å; V350-V522 WeakPolarHBondContact CA-O 3.22Å; V350-V524 HydrophobicContact CG1-CB 4.4Å; V350-V524 HydrophobicContact CG1-CG2 3.6Å; V350-F562 HydrophobicContact CG1-CD1 3.91Å; V350-F562 HydrophobicContact CG1-CE1 3.53Å; V350-F562 HydrophobicContact CG1-CZ 4.2Å; V350-I565 HydrophobicContact CG1-CD1 4.15Å; V350-I565 HydrophobicContact CG2-CG2 4.32Å; V350-Y575 HydrophobicContact CG2-CD1 4.38Å; V350-V576 PolarHBondContact N-O 3.11Å; V350-V577 HydrophobicContact CB-CG2 4.25Å; V350-V577 CarbonylContact O-C 3.58Å; V350-V577 WeakPolarHBondContact O-CA 3.25Å; V350-I578 PolarHBondContact O-N 3.45Å
351	W	98.9	Very high	91.3	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	147.6	-175.5	-63.9	84.1	0	0	0	112.2	T356 I357 L510 I513 N521 V522 L523 V524 F545 I578 L607	W351-T356 HydrophobicContact CE3-CG2 4.15Å; W351-I357 HydrophobicContact CB-CD1 3.76Å; W351-I357 HydrophobicContact CD2-CD1 3.94Å; W351-I357 HydrophobicContact CD2-CG1 4.22Å; W351-I357 HydrophobicContact CE3-CD1 3.79Å; W351-I357 HydrophobicContact CE3-CG1 3.54Å; W351-I357 HydrophobicContact CG-CD1 3.99Å; W351-I357 HydrophobicContact CZ3-CG1 4Å; W351-L510 HydrophobicContact CD2-CD2 4.03Å; W351-L510 VanDerWaalsContact CE2-CD2 3.43Å; W351-L510 HydrophobicContact CG-CD2 4.42Å; W351-L510 HydrophobicContact CH2-CD2 4.27Å; W351-L510 HydrophobicContact CH2-CG 4.27Å; W351-L510 HydrophobicContact CZ2-CD2 3.58Å; W351-L510 HydrophobicContact CZ2-CG 3.96Å; W351-I513 HydrophobicContact CZ2-CD1 3.79Å; W351-N521 PolarHBondContact NE1-OD1 2.87Å; W351-V522 PolarHBondContact N-O 3.29Å; W351-L523 HydrophobicContact CB-CD1 3.94Å; W351-L523 CarbonylContact O-C 3.47Å; W351-L523 WeakPolarHBondContact O-CA 3.26Å; W351-V524 PolarHBondContact O-N 2.84Å; W351-F545 HydrophobicContact CB-CZ 4.39Å; W351-F545 HydrophobicContact CG-CZ 4.27Å; W351-I578 CarbonylContact C-O 3.57Å; W351-I578 WeakPolarHBondContact CA-O 3.34Å; W351-I578 HydrophobicContact CD2-CB 4.14Å; W351-I578 HydrophobicContact CD2-CD1 3.77Å; W351-I578 HydrophobicContact CD2-CG2 4.33Å; W351-I578 HydrophobicContact CE3-CB 3.93Å; W351-I578 HydrophobicContact CE3-CD1 4.06Å; W351-I578 HydrophobicContact CE3-CG2 3.63Å; W351-I578 HydrophobicContact CG-CD1 4.43Å; W351-I578 HydrophobicContact CH2-CD1 3.98Å; W351-I578 HydrophobicContact CH2-CG2 4.49Å; W351-I578 HydrophobicContact CZ2-CD1 3.66Å; W351-I578 HydrophobicContact CZ3-CB 4.41Å; W351-I578 HydrophobicContact CZ3-CD1 4.16Å; W351-I578 HydrophobicContact CZ3-CG2 3.73Å; W351-L607 HydrophobicContact CH2-CD2 3.55Å; W351-L607 HydrophobicContact CZ2-CD2 4.36Å; W351-L607 HydrophobicContact CZ3-CD2 3.93Å
352	D	98.8	Very high	93.4	Very high	12 Å²	12	35.4 Å²	35.4	6%	0.064	18%	0.179	C	C	.	.			trans	-84.6	162.4	150.3	-161.1	6.5	0	0	0	111.2	I357 T525 K558 I578	D352-I357 WeakPolarHBondContact O-CD1 3.48Å; D352-I357 WeakPolarHBondContact O-CG1 3.42Å; D352-T525 WeakPolarHBondContact OD1-CA 3.38Å; D352-K558 VanDerWaalsContact CG-NZ 3.27Å; D352-K558 IonicContact OD1-NZ 3.44Å; D352-K558 IonicContact OD2-NZ 3.66Å; D352-K558 PolarHBondContact OD2-NZ 3.45Å; D352-I578 PolarHBondContact N-O 3.3Å
353	L	98.8	Very high	95.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.			trans	-92.9	-68.7	-177.3	-179.9	59.8	0	0	0	111.9	I357 I358 L523 T525 K535 I536 L541	L353-I357 PolarHBondContact O-N 3.43Å; L353-I358 HydrophobicContact CD1-CD1 4.08Å; L353-I358 HydrophobicContact CD1-CG1 4.2Å; L353-I358 HydrophobicContact CD1-CG2 3.92Å; L353-I358 HydrophobicContact CD2-CD1 4.44Å; L353-I358 HydrophobicContact CG-CD1 3.93Å; L353-I358 HydrophobicContact CG-CG1 4.15Å; L353-I358 PolarHBondContact O-N 3Å; L353-L523 HydrophobicContact CB-CD1 4.05Å; L353-L523 HydrophobicContact CB-CD2 4.22Å; L353-L523 HydrophobicContact CB-CG 4.41Å; L353-L523 HydrophobicContact CD1-CD2 4.23Å; L353-L523 HydrophobicContact CD2-CD2 4.41Å; L353-T525 HydrophobicContact CB-CG2 4.49Å; L353-T525 HydrophobicContact CD2-CG2 4.29Å; L353-K535 HydrophobicContact CD2-CB 4Å; L353-K535 HydrophobicContact CD2-CD 3.73Å; L353-I536 HydrophobicContact CD1-CG1 4.22Å; L353-I536 HydrophobicContact CD2-CG1 4.23Å; L353-L541 HydrophobicContact CD1-CD1 3.68Å
354	D	98	Very high	97.1	Very high	18 Å²	18	28 Å²	28	10%	0.096	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-73.3	138	-172.6	-66.2	-89.2	0	0	0	110.7	T356 T527 K535	D354-T356 PolarHBondContact O-N 2.97Å; D354-T527 PolarHBondContact OD2-OG1 2.9Å; D354-K535 IonicContact OD1-NZ 3.61Å; D354-K535 PolarHBondContact OD1-NZ 3.39Å; D354-K535 IonicContact OD2-NZ 3.2Å; D354-K535 PolarHBondContact OD2-NZ 3.13Å
355	E	98.1	Very high	97.8	Very high	36 Å²	36	24.6 Å²	24.6	17%	0.168	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	-5	-175.6	-48.3	-46.8	141.1	0	0	117	I358 F360 H361 S362 W502	E355-I358 VanDerWaalsContact CA-O 3.28Å; E355-I358 WeakPolarHBondContact CA-O 3.41Å; E355-I358 PolarHBondContact N-O 3.45Å; E355-F360 PolarHBondContact OE1-N 2.92Å; E355-H361 PolarHBondContact OE1-N 3.39Å; E355-S362 VanDerWaalsContact CD-CB 3.47Å; E355-S362 PolarHBondContact OE1-N 3.37Å; E355-S362 PolarHBondContact OE1-OG 2.85Å; E355-S362 WeakPolarHBondContact OE2-CB 3.36Å; E355-S362 PolarHBondContact OE2-OG 2.92Å; E355-W502 VanDerWaalsContact O-CZ2 3.26Å; E355-W502 WeakPolarHBondContact O-CZ2 3.38Å
356	T	98.8	Very high	98.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-67	171.4	-67.6	0	0	0	0	111.7	W351 D354 W502 I578 G579 D580 I598	W351-T356 HydrophobicContact CE3-CG2 4.15Å; D354-T356 PolarHBondContact O-N 2.97Å; T356-W502 PolarHBondContact O-NE1 3.14Å; T356-I578 HydrophobicContact CG2-CG2 4.17Å; T356-G579 VanDerWaalsContact OG1-CA 3.25Å; T356-G579 WeakPolarHBondContact OG1-CA 3.28Å; T356-D580 PolarHBondContact OG1-N 3.38Å; T356-D580 PolarHBondContact OG1-OD1 3.3Å; T356-I598 HydrophobicContact CG2-CG1 4.16Å
357	I	98.8	Very high	98.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-44.1	177.6	-64.8	170.9	0	0	0	110.8	W351 D352 L353 L503 A506 L510 L523 L541 F545	W351-I357 HydrophobicContact CB-CD1 3.76Å; W351-I357 HydrophobicContact CD2-CD1 3.94Å; W351-I357 HydrophobicContact CD2-CG1 4.22Å; W351-I357 HydrophobicContact CE3-CD1 3.79Å; W351-I357 HydrophobicContact CE3-CG1 3.54Å; W351-I357 HydrophobicContact CG-CD1 3.99Å; W351-I357 HydrophobicContact CZ3-CG1 4Å; D352-I357 WeakPolarHBondContact O-CD1 3.48Å; D352-I357 WeakPolarHBondContact O-CG1 3.42Å; L353-I357 PolarHBondContact O-N 3.43Å; I357-L503 HydrophobicContact CG2-CD1 3.89Å; I357-L503 WeakPolarHBondContact O-CD1 3.45Å; I357-A506 HydrophobicContact CG2-CB 4.17Å; I357-L510 HydrophobicContact CD1-CD1 4.22Å; I357-L510 HydrophobicContact CD1-CD2 4.35Å; I357-L510 HydrophobicContact CG2-CD1 4.02Å; I357-L523 HydrophobicContact CD1-CD1 3.81Å; I357-L541 HydrophobicContact CG2-CD1 3.7Å; I357-L541 HydrophobicContact CG2-CD2 3.59Å; I357-L541 HydrophobicContact CG2-CG 4.29Å; I357-F545 HydrophobicContact CD1-CE2 3.91Å; I357-F545 HydrophobicContact CD1-CZ 3.7Å
358	I	98.7	Very high	98.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-113	142.7	-177.8	74	173.3	0	0	0	110.5	L353 E355 F360 L503 K535 Y539 L541	L353-I358 HydrophobicContact CD1-CD1 4.08Å; L353-I358 HydrophobicContact CD1-CG1 4.2Å; L353-I358 HydrophobicContact CD1-CG2 3.92Å; L353-I358 HydrophobicContact CD2-CD1 4.44Å; L353-I358 HydrophobicContact CG-CD1 3.93Å; L353-I358 HydrophobicContact CG-CG1 4.15Å; L353-I358 PolarHBondContact O-N 3Å; E355-I358 VanDerWaalsContact CA-O 3.28Å; E355-I358 WeakPolarHBondContact CA-O 3.41Å; E355-I358 PolarHBondContact N-O 3.45Å; I358-F360 HydrophobicContact CD1-CB 4Å; I358-F360 HydrophobicContact CG1-CB 4.22Å; I358-L503 HydrophobicContact CG2-CD1 3.99Å; I358-K535 HydrophobicContact CD1-CB 4.37Å; I358-K535 HydrophobicContact CD1-CD 4.1Å; I358-K535 HydrophobicContact CD1-CG 4.4Å; I358-Y539 HydrophobicContact CB-CD1 3.67Å; I358-Y539 HydrophobicContact CB-CE1 3.61Å; I358-Y539 HydrophobicContact CB-CG 4.25Å; I358-Y539 HydrophobicContact CD1-CD2 4.25Å; I358-Y539 HydrophobicContact CD1-CE1 4.43Å; I358-Y539 HydrophobicContact CD1-CE2 4.04Å; I358-Y539 HydrophobicContact CG2-CD1 3.41Å; I358-Y539 VanDerWaalsContact CG2-CD1 3.41Å; I358-Y539 HydrophobicContact CG2-CD2 4.38Å; I358-Y539 HydrophobicContact CG2-CE1 3.93Å; I358-Y539 HydrophobicContact CG2-CG 3.67Å; I358-L541 HydrophobicContact CG2-CD1 3.73Å
359	V	98.6	Very high	98.4	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.024	10%	0.097	C	C	.	.			trans	-90.9	123.1	164	-168.7	0	0	0	0	107.2	S362 L363 Y368 T499 W502 Y539	V359-S362 WeakPolarHBondContact CG1-OG 3.39Å; V359-L363 HydrophobicContact CG1-CD2 3.73Å; V359-L363 HydrophobicContact CG1-CG 3.92Å; V359-Y368 HydrophobicContact CB-CD2 4.46Å; V359-Y368 HydrophobicContact CG1-CD2 3.35Å; V359-Y368 HydrophobicContact CG1-CE2 3.86Å; V359-Y368 HydrophobicContact CG1-CG 3.85Å; V359-Y368 HydrophobicContact CG2-CD2 4.24Å; V359-Y368 HydrophobicContact CG2-CE2 3.93Å; V359-T499 HydrophobicContact CB-CG2 3.76Å; V359-T499 HydrophobicContact CG1-CG2 3.97Å; V359-T499 HydrophobicContact CG2-CG2 3.87Å; V359-W502 HydrophobicContact CG2-CB 3.75Å; V359-W502 HydrophobicContact CG2-CD2 3.71Å; V359-W502 HydrophobicContact CG2-CE3 4.33Å; V359-W502 HydrophobicContact CG2-CG 3.41Å; V359-W502 VanDerWaalsContact CG2-CG 3.41Å; V359-Y539 PolarHBondContact O-OH 3.1Å
360	F	98.3	Very high	98.3	Very high	13 Å²	13	24.8 Å²	24.8	6%	0.057	13%	0.13	C	C	.	.			trans	-151.7	-63.1	-177.2	179.6	-114.3	0	0	0	113.7	E355 I358 S362 L363 L364 M386 E387 I390	E355-F360 PolarHBondContact OE1-N 2.92Å; I358-F360 HydrophobicContact CD1-CB 4Å; I358-F360 HydrophobicContact CG1-CB 4.22Å; F360-S362 VanDerWaalsContact C-N 3.29Å; F360-S362 PolarHBondContact O-N 3.27Å; F360-L363 VanDerWaalsContact O-CB 3.27Å; F360-L363 WeakPolarHBondContact O-CB 3.09Å; F360-L363 PolarHBondContact O-N 2.9Å; F360-L364 HydrophobicContact CE1-CD1 3.99Å; F360-L364 HydrophobicContact CE2-CD1 4.28Å; F360-L364 HydrophobicContact CZ-CD1 3.82Å; F360-L364 PolarHBondContact O-N 2.79Å; F360-M386 HydrophobicContact CD2-CB 4.33Å; F360-M386 HydrophobicContact CD2-CG 3.96Å; F360-M386 HydrophobicContact CE2-CB 4.03Å; F360-M386 HydrophobicContact CE2-CG 3.88Å; F360-E387 HydrophobicContact CE2-CB 4.19Å; F360-E387 HydrophobicContact CZ-CB 3.91Å; F360-E387 HydrophobicContact CZ-CG 4.32Å; F360-I390 HydrophobicContact CD2-CD1 4.16Å; F360-I390 HydrophobicContact CE1-CD1 4.11Å; F360-I390 HydrophobicContact CE2-CD1 3.57Å; F360-I390 HydrophobicContact CZ-CD1 3.54Å
361	H	97.2	Very high	98.3	Very high	112 Å²	112	30.9 Å²	30.9	52%	0.519	16%	0.156	S	C	.	.	H	α-helix	trans	-67.4	-32	-179.8	-175.1	71.3	0	0	0	112	E355 L363 L364 T365	E355-H361 PolarHBondContact OE1-N 3.39Å; H361-L363 PolarHBondContact O-N 3.39Å; H361-L364 PolarHBondContact O-N 3.17Å; H361-T365 PolarHBondContact O-N 2.93Å; H361-T365 PolarHBondContact O-OG1 3.08Å
362	S	98.3	Very high	98.3	Very high	10 Å²	10	33.6 Å²	33.6	7%	0.07	17%	0.167	C	C	.	.	H	α-helix	trans	-71.9	-16.6	173.4	69.3	0	0	0	0	113.8	E355 V359 F360 T365 G366 S367 Y368	E355-S362 VanDerWaalsContact CD-CB 3.47Å; E355-S362 PolarHBondContact OE1-N 3.37Å; E355-S362 PolarHBondContact OE1-OG 2.85Å; E355-S362 WeakPolarHBondContact OE2-CB 3.36Å; E355-S362 PolarHBondContact OE2-OG 2.92Å; V359-S362 WeakPolarHBondContact CG1-OG 3.39Å; F360-S362 VanDerWaalsContact C-N 3.29Å; F360-S362 PolarHBondContact O-N 3.27Å; S362-T365 WeakPolarHBondContact CA-OG1 3.13Å; S362-G366 CarbonylContact O-C 3.57Å; S362-G366 PolarHBondContact O-N 3.32Å; S362-S367 WeakPolarHBondContact CA-OG 3.36Å; S362-S367 WeakPolarHBondContact CB-OG 3.47Å; S362-S367 PolarHBondContact O-N 2.74Å; S362-S367 PolarHBondContact O-OG 3.02Å; S362-Y368 PolarHBondContact O-N 2.74Å; S362-Y368 WeakPolarHBondContact OG-CB 3.17Å
363	L	98.6	Very high	98.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-75.2	-51.7	168	-55.6	-178.3	0	0	0	110.2	V359 F360 H361 T365 G366 Y368 A379 V380 I495 L498 T499	V359-L363 HydrophobicContact CG1-CD2 3.73Å; V359-L363 HydrophobicContact CG1-CG 3.92Å; F360-L363 VanDerWaalsContact O-CB 3.27Å; F360-L363 WeakPolarHBondContact O-CB 3.09Å; F360-L363 PolarHBondContact O-N 2.9Å; H361-L363 PolarHBondContact O-N 3.39Å; L363-T365 VanDerWaalsContact C-N 3.27Å; L363-T365 PolarHBondContact O-N 2.97Å; L363-G366 PolarHBondContact O-N 2.97Å; L363-Y368 HydrophobicContact CD2-CG 4.42Å; L363-A379 HydrophobicContact CD2-CB 4.41Å; L363-A379 CarbonylContact O-C 3.19Å; L363-V380 WeakPolarHBondContact O-CA 3.5Å; L363-V380 WeakPolarHBondContact O-CG2 3.39Å; L363-V380 PolarHBondContact O-N 3.2Å; L363-I495 HydrophobicContact CD1-CD1 4.48Å; L363-I495 HydrophobicContact CD1-CG1 4.35Å; L363-I495 HydrophobicContact CD1-CG2 4.25Å; L363-L498 HydrophobicContact CD2-CD2 3.82Å; L363-T499 HydrophobicContact CD2-CG2 4.22Å
364	L	98.4	Very high	98.2	Very high	35 Å²	35	39 Å²	39	18%	0.183	21%	0.211	C	C	.	.	H	α-helix	trans	-57.7	-37.1	179.6	-68.3	169.7	0	0	0	112.8	F360 H361 G383 L384 E387	F360-L364 HydrophobicContact CE1-CD1 3.99Å; F360-L364 HydrophobicContact CE2-CD1 4.28Å; F360-L364 HydrophobicContact CZ-CD1 3.82Å; F360-L364 PolarHBondContact O-N 2.79Å; H361-L364 PolarHBondContact O-N 3.17Å; L364-G383 VanDerWaalsContact CD2-C 3.41Å; L364-L384 HydrophobicContact CD2-CD2 3.85Å; L364-L384 HydrophobicContact CD2-CG 4.04Å; L364-E387 HydrophobicContact CD2-CB 4.38Å
365	T	98	Very high	98.2	Very high	70 Å²	70	42.5 Å²	42.5	43%	0.429	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.2	175.8	54.7	0	0	0	0	113.9	H361 S362 L363 S367	H361-T365 PolarHBondContact O-N 2.93Å; H361-T365 PolarHBondContact O-OG1 3.08Å; S362-T365 WeakPolarHBondContact CA-OG1 3.13Å; L363-T365 VanDerWaalsContact C-N 3.27Å; L363-T365 PolarHBondContact O-N 2.97Å; T365-S367 PolarHBondContact O-N 2.81Å; T365-S367 VanDerWaalsContact O-N 3.11Å; T365-S367 PolarHBondContact OG1-OG 3.08Å
366	G	97.7	Very high	98.2	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.021	24%	0.236	C	C	.	.	S	Bend	trans	65.4	3.1	-172.4	0	0	0	0	0	114.9	S362 L363 Y368 A369 Q370	S362-G366 CarbonylContact O-C 3.57Å; S362-G366 PolarHBondContact O-N 3.32Å; L363-G366 PolarHBondContact O-N 2.97Å; G366-Y368 VanDerWaalsContact C-N 3.35Å; G366-Y368 PolarHBondContact O-N 3.09Å; G366-A369 WeakPolarHBondContact O-CB 3.31Å; G366-A369 PolarHBondContact O-N 2.76Å; G366-A369 VanDerWaalsContact O-N 3.15Å; G366-Q370 WeakPolarHBondContact O-CG 3.36Å; G366-Q370 PolarHBondContact O-N 3.17Å; G366-Q370 VanDerWaalsContact O-N 3.14Å
367	S	98.1	Very high	98.1	Very high	50 Å²	50	47.1 Å²	47.1	35%	0.35	26%	0.262	S	S	.	.	H	α-helix	trans	-67.5	-31.8	-175.3	57.7	0	0	0	0	112.8	S362 T365 A369 Q370 K371	S362-S367 WeakPolarHBondContact CA-OG 3.36Å; S362-S367 WeakPolarHBondContact CB-OG 3.47Å; S362-S367 PolarHBondContact O-N 2.74Å; S362-S367 PolarHBondContact O-OG 3.02Å; T365-S367 PolarHBondContact O-N 2.81Å; T365-S367 VanDerWaalsContact O-N 3.11Å; T365-S367 PolarHBondContact OG1-OG 3.08Å; S367-A369 VanDerWaalsContact C-N 3.34Å; S367-A369 PolarHBondContact O-N 2.84Å; S367-Q370 PolarHBondContact O-N 3.34Å; S367-K371 WeakPolarHBondContact O-CB 3.34Å; S367-K371 PolarHBondContact O-N 3.27Å
368	Y	98.4	Very high	98.1	Very high	6 Å²	6	51.7 Å²	51.7	2%	0.024	29%	0.285	C	S	.	.	H	α-helix	trans	-59.2	-46.5	170.1	-172.8	-86.3	0	0	0	111.3	V359 S362 L363 G366 Q370 K371 Y372 K374 L498 T499 W502 H601	V359-Y368 HydrophobicContact CB-CD2 4.46Å; V359-Y368 HydrophobicContact CG1-CD2 3.35Å; V359-Y368 HydrophobicContact CG1-CE2 3.86Å; V359-Y368 HydrophobicContact CG1-CG 3.85Å; V359-Y368 HydrophobicContact CG2-CD2 4.24Å; V359-Y368 HydrophobicContact CG2-CE2 3.93Å; S362-Y368 PolarHBondContact O-N 2.74Å; S362-Y368 WeakPolarHBondContact OG-CB 3.17Å; L363-Y368 HydrophobicContact CD2-CG 4.42Å; G366-Y368 VanDerWaalsContact C-N 3.35Å; G366-Y368 PolarHBondContact O-N 3.09Å; Y368-Q370 PolarHBondContact O-N 3.08Å; Y368-K371 PolarHBondContact O-N 2.93Å; Y368-Y372 AromaticContact CD1-CD2 3.92Å; Y368-Y372 HydrophobicContact CD1-CD2 3.92Å; Y368-Y372 AromaticContact CD2-CD2 3.6Å; Y368-Y372 HydrophobicContact CD2-CD2 3.6Å; Y368-Y372 AromaticContact CD2-CE2 3.65Å; Y368-Y372 HydrophobicContact CD2-CE2 3.65Å; Y368-Y372 AromaticContact CE1-CD2 3.65Å; Y368-Y372 HydrophobicContact CE1-CD2 3.65Å; Y368-Y372 HydrophobicContact CE1-CE2 4.47Å; Y368-Y372 HydrophobicContact CE1-CG 4.15Å; Y368-Y372 AromaticContact CE2-CD2 3.34Å; Y368-Y372 HydrophobicContact CE2-CD2 3.34Å; Y368-Y372 AromaticContact CE2-CE2 3.32Å; Y368-Y372 HydrophobicContact CE2-CE2 3.32Å; Y368-Y372 HydrophobicContact CE2-CG 4.38Å; Y368-Y372 AromaticContact CG-CD2 3.87Å; Y368-Y372 HydrophobicContact CG-CD2 3.87Å; Y368-Y372 HydrophobicContact CG-CE2 4.35Å; Y368-Y372 AromaticContact CZ-CD2 3.33Å; Y368-Y372 AromaticContact CZ-CE2 3.76Å; Y368-Y372 AromaticContact CZ-CG 3.97Å; Y368-Y372 WeakPolarHBondContact O-CD2 3.44Å; Y368-Y372 PolarHBondContact O-N 3.46Å; Y368-K374 HydrophobicContact CD1-CG 4.36Å; Y368-K374 HydrophobicContact CE1-CG 4.16Å; Y368-L498 HydrophobicContact CD1-CD2 4.07Å; Y368-L498 HydrophobicContact CE1-CD2 4.3Å; Y368-T499 HydrophobicContact CE1-CG2 4.23Å; Y368-T499 VanDerWaalsContact OH-C 3.29Å; Y368-T499 WeakPolarHBondContact OH-CA 3.25Å; Y368-T499 PolarHBondContact OH-O 3.33Å; Y368-W502 HydrophobicContact CE2-CE3 4.32Å; Y368-H601 PolarHBondContact OH-CE1 3.15Å; Y368-H601 PolarHBondContact OH-NE2 2.56Å; Y368-H601 VanDerWaalsContact OH-NE2 3.16Å
369	A	98.3	Very high	98.1	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-65.5	-40.3	-177.3	0	0	0	0	0	111.9	G366 S367 G373 K374 P376 A379	G366-A369 WeakPolarHBondContact O-CB 3.31Å; G366-A369 PolarHBondContact O-N 2.76Å; G366-A369 VanDerWaalsContact O-N 3.15Å; S367-A369 VanDerWaalsContact C-N 3.34Å; S367-A369 PolarHBondContact O-N 2.84Å; A369-G373 WeakPolarHBondContact O-CA 3.32Å; A369-G373 PolarHBondContact O-N 3.22Å; A369-K374 HydrophobicContact CB-CB 3.91Å; A369-K374 PolarHBondContact O-N 3.17Å; A369-P376 HydrophobicContact CB-CB 4.02Å; A369-P376 HydrophobicContact CB-CG 3.98Å; A369-A379 HydrophobicContact CB-CB 3.83Å
370	Q	97.8	Very high	98.1	Very high	148 Å²	148	53.6 Å²	53.6	69%	0.692	30%	0.296	S	S	*	.	H	α-helix	trans	-61.6	-43	172.8	-65.1	172.2	19.8	0	0	112	G366 S367 Y368	G366-Q370 WeakPolarHBondContact O-CG 3.36Å; G366-Q370 PolarHBondContact O-N 3.17Å; G366-Q370 VanDerWaalsContact O-N 3.14Å; S367-Q370 PolarHBondContact O-N 3.34Å; Y368-Q370 PolarHBondContact O-N 3.08Å
371	K	97.9	Very high	98.1	Very high	129 Å²	129	56.4 Å²	56.4	56%	0.561	31%	0.314	S	S	*	.	H	α-helix	trans	-69.7	-36.9	-178.5	-177.4	176.6	173.8	-175.4	0	113.6	S367 Y368 S599	S367-K371 WeakPolarHBondContact O-CB 3.34Å; S367-K371 PolarHBondContact O-N 3.27Å; Y368-K371 PolarHBondContact O-N 2.93Å; K371-S599 PolarHBondContact NZ-O 2.7Å
372	Y	98.2	Very high	98.2	Very high	58 Å²	58	51.2 Å²	51.2	23%	0.227	29%	0.29	C	S	.	.	H	α-helix	trans	-112.9	14.6	-173.8	-63	-72.9	0	0	0	114.6	Y368 K374 H601	Y368-Y372 AromaticContact CD1-CD2 3.92Å; Y368-Y372 HydrophobicContact CD1-CD2 3.92Å; Y368-Y372 AromaticContact CD2-CD2 3.6Å; Y368-Y372 HydrophobicContact CD2-CD2 3.6Å; Y368-Y372 AromaticContact CD2-CE2 3.65Å; Y368-Y372 HydrophobicContact CD2-CE2 3.65Å; Y368-Y372 AromaticContact CE1-CD2 3.65Å; Y368-Y372 HydrophobicContact CE1-CD2 3.65Å; Y368-Y372 HydrophobicContact CE1-CE2 4.47Å; Y368-Y372 HydrophobicContact CE1-CG 4.15Å; Y368-Y372 AromaticContact CE2-CD2 3.34Å; Y368-Y372 HydrophobicContact CE2-CD2 3.34Å; Y368-Y372 AromaticContact CE2-CE2 3.32Å; Y368-Y372 HydrophobicContact CE2-CE2 3.32Å; Y368-Y372 HydrophobicContact CE2-CG 4.38Å; Y368-Y372 AromaticContact CG-CD2 3.87Å; Y368-Y372 HydrophobicContact CG-CD2 3.87Å; Y368-Y372 HydrophobicContact CG-CE2 4.35Å; Y368-Y372 AromaticContact CZ-CD2 3.33Å; Y368-Y372 AromaticContact CZ-CE2 3.76Å; Y368-Y372 AromaticContact CZ-CG 3.97Å; Y368-Y372 WeakPolarHBondContact O-CD2 3.44Å; Y368-Y372 PolarHBondContact O-N 3.46Å; Y372-K374 VanDerWaalsContact C-N 3.34Å; Y372-K374 PolarHBondContact O-N 2.87Å; Y372-H601 AromaticContact CE1-CE1 3.69Å; Y372-H601 AromaticContact CE1-ND1 3.65Å; Y372-H601 AromaticContact CZ-CE1 3.81Å; Y372-H601 AromaticContact CZ-ND1 3.86Å
373	G	97.9	Very high	98.2	Very high	73 Å²	73	50.7 Å²	50.7	75%	0.753	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	33.9	176	0	0	0	0	0	114.4	A369	A369-G373 WeakPolarHBondContact O-CA 3.32Å; A369-G373 PolarHBondContact O-N 3.22Å
374	K	98.3	Very high	98.2	Very high	54 Å²	54	54.9 Å²	54.9	24%	0.235	31%	0.309	C	S	.	.			trans	-93.7	169.4	174.7	-44.8	-61.8	179.3	172.5	0	110.4	Y368 A369 Y372 P376 L498 D500	Y368-K374 HydrophobicContact CD1-CG 4.36Å; Y368-K374 HydrophobicContact CE1-CG 4.16Å; A369-K374 HydrophobicContact CB-CB 3.91Å; A369-K374 PolarHBondContact O-N 3.17Å; Y372-K374 VanDerWaalsContact C-N 3.34Å; Y372-K374 PolarHBondContact O-N 2.87Å; K374-P376 VanDerWaalsContact O-CD 3.25Å; K374-P376 WeakPolarHBondContact O-CD 3.47Å; K374-L498 HydrophobicContact CB-CG 4.38Å; K374-L498 VanDerWaalsContact CE-O 3.25Å; K374-L498 WeakPolarHBondContact CE-O 3.34Å; K374-L498 HydrophobicContact CG-CG 4.42Å; K374-D500 WeakPolarHBondContact CE-OD2 3.43Å; K374-D500 IonicContact NZ-OD1 3.44Å; K374-D500 PolarHBondContact NZ-OD1 3.15Å; K374-D500 IonicContact NZ-OD2 3.68Å; K374-D500 PolarHBondContact NZ-OD2 3.44Å
375	D	97.8	Very high	98.3	Very high	90 Å²	90	56.8 Å²	56.8	48%	0.481	31%	0.314	S	S	.	.			trans	-72.5	117.7	172.1	-177.7	68	0	0	0	111.2	P377 M378 A379	D375-P377 WeakPolarHBondContact OD2-CD 3.44Å; D375-M378 HydrophobicContact CB-CB 4.05Å; D375-M378 VanDerWaalsContact OD2-CB 3.23Å; D375-M378 WeakPolarHBondContact OD2-CB 3.38Å; D375-M378 PolarHBondContact OD2-N 2.93Å; D375-A379 PolarHBondContact O-N 2.93Å; D375-A379 VanDerWaalsContact O-N 3.1Å
376	P	97.8	Very high	98.3	Very high	49 Å²	49	53.5 Å²	53.5	32%	0.318	29%	0.293	S	S	.	.	H	α-helix	trans	-68.1	-42.6	-177.9	-18.5	32	0	0	0	114.5	A369 K374 M378 A379 V380	A369-P376 HydrophobicContact CB-CB 4.02Å; A369-P376 HydrophobicContact CB-CG 3.98Å; K374-P376 VanDerWaalsContact O-CD 3.25Å; K374-P376 WeakPolarHBondContact O-CD 3.47Å; P376-M378 VanDerWaalsContact C-N 3.32Å; P376-M378 PolarHBondContact O-N 2.93Å; P376-A379 PolarHBondContact O-N 2.68Å; P376-V380 WeakPolarHBondContact O-CG2 2.96Å; P376-V380 PolarHBondContact O-N 2.95Å
377	P	98.3	Very high	98.4	Very high	85 Å²	85	56.3 Å²	56.3	55%	0.552	31%	0.306	S	S	*	.	H	α-helix	trans	-54.6	-43.5	173.4	-28.4	35.9	0	0	0	113.7	D375 T381	D375-P377 WeakPolarHBondContact OD2-CD 3.44Å; P377-T381 WeakPolarHBondContact O-CB 3.39Å; P377-T381 PolarHBondContact O-N 3.33Å; P377-T381 PolarHBondContact O-OG1 3.31Å
378	M	98.2	Very high	98.4	Very high	96 Å²	96	60.7 Å²	60.7	47%	0.473	32%	0.321	S	S	.	.	H	α-helix	trans	-62.6	-47.6	174.3	-175.9	61.1	68	0	0	111.4	D375 P376 V380 T381 L382 L498	D375-M378 HydrophobicContact CB-CB 4.05Å; D375-M378 VanDerWaalsContact OD2-CB 3.23Å; D375-M378 WeakPolarHBondContact OD2-CB 3.38Å; D375-M378 PolarHBondContact OD2-N 2.93Å; P376-M378 VanDerWaalsContact C-N 3.32Å; P376-M378 PolarHBondContact O-N 2.93Å; M378-V380 PolarHBondContact O-N 3.16Å; M378-T381 WeakPolarHBondContact O-CB 3.28Å; M378-T381 PolarHBondContact O-N 3.22Å; M378-T381 VanDerWaalsContact O-N 3.14Å; M378-L382 HydrophobicContact CG-CD1 4.45Å; M378-L382 HydrophobicContact CG-CG 4.47Å; M378-L382 WeakPolarHBondContact O-CG 3.49Å; M378-L382 PolarHBondContact O-N 2.89Å; M378-L382 HydrophobicContact SD-CD2 4.33Å; M378-L382 HydrophobicContact SD-CG 4.27Å; M378-L498 HydrophobicContact CB-CD1 4.29Å; M378-L498 HydrophobicContact CG-CD1 3.86Å
379	A	98.5	Very high	98.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-57.9	-47.1	179.1	0	0	0	0	0	112.2	L363 A369 D375 P376 T381 L382 G383 L498	L363-A379 HydrophobicContact CD2-CB 4.41Å; L363-A379 CarbonylContact O-C 3.19Å; A369-A379 HydrophobicContact CB-CB 3.83Å; D375-A379 PolarHBondContact O-N 2.93Å; D375-A379 VanDerWaalsContact O-N 3.1Å; P376-A379 PolarHBondContact O-N 2.68Å; A379-T381 VanDerWaalsContact C-N 3.33Å; A379-T381 PolarHBondContact O-N 3.35Å; A379-L382 PolarHBondContact O-N 2.71Å; A379-G383 PolarHBondContact O-N 2.7Å; A379-L498 HydrophobicContact CB-CD1 4.03Å; A379-L498 HydrophobicContact CB-CD2 4.04Å
380	V	98.8	Very high	98.4	Very high	43 Å²	43	61.5 Å²	61.5	26%	0.261	33%	0.325	S	S	.	.	H	α-helix	trans	-62.2	-41.1	175.9	176.6	0	0	0	0	111.1	L363 P376 M378 L382 G383 L384	L363-V380 WeakPolarHBondContact O-CA 3.5Å; L363-V380 WeakPolarHBondContact O-CG2 3.39Å; L363-V380 PolarHBondContact O-N 3.2Å; P376-V380 WeakPolarHBondContact O-CG2 2.96Å; P376-V380 PolarHBondContact O-N 2.95Å; M378-V380 PolarHBondContact O-N 3.16Å; V380-L382 PolarHBondContact O-N 2.84Å; V380-G383 PolarHBondContact O-N 2.76Å; V380-L384 HydrophobicContact CG1-CD1 3.89Å; V380-L384 HydrophobicContact CG1-CG 4.3Å; V380-L384 WeakPolarHBondContact O-CG 3.18Å; V380-L384 PolarHBondContact O-N 3.44Å
381	T	98.7	Very high	98.4	Very high	72 Å²	72	58.5 Å²	58.5	44%	0.442	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-40.8	177.7	-58.1	0	0	0	0	112.5	P377 M378 A379 R385	P377-T381 WeakPolarHBondContact O-CB 3.39Å; P377-T381 PolarHBondContact O-N 3.33Å; P377-T381 PolarHBondContact O-OG1 3.31Å; M378-T381 WeakPolarHBondContact O-CB 3.28Å; M378-T381 PolarHBondContact O-N 3.22Å; M378-T381 VanDerWaalsContact O-N 3.14Å; A379-T381 VanDerWaalsContact C-N 3.33Å; A379-T381 PolarHBondContact O-N 3.35Å; T381-R385 WeakPolarHBondContact O-CG 3.12Å; T381-R385 PolarHBondContact O-N 2.81Å
382	L	98.8	Very high	98.5	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-71.3	-37.5	175.1	-61.5	-174.8	0	0	0	111.9	M378 A379 V380 R385 M386 L491 E494 I495 L498	M378-L382 HydrophobicContact CG-CD1 4.45Å; M378-L382 HydrophobicContact CG-CG 4.47Å; M378-L382 WeakPolarHBondContact O-CG 3.49Å; M378-L382 PolarHBondContact O-N 2.89Å; M378-L382 HydrophobicContact SD-CD2 4.33Å; M378-L382 HydrophobicContact SD-CG 4.27Å; A379-L382 PolarHBondContact O-N 2.71Å; V380-L382 PolarHBondContact O-N 2.84Å; L382-R385 PolarHBondContact O-N 2.77Å; L382-M386 PolarHBondContact O-N 3.4Å; L382-L491 HydrophobicContact CB-CD1 4.35Å; L382-L491 HydrophobicContact CD2-CD1 3.98Å; L382-E494 HydrophobicContact CD1-CB 3.92Å; L382-E494 HydrophobicContact CD2-CB 3.85Å; L382-I495 HydrophobicContact CB-CD1 4.49Å; L382-I495 HydrophobicContact CB-CG1 3.87Å; L382-I495 HydrophobicContact CD1-CG1 4.11Å; L382-L498 HydrophobicContact CD1-CB 4.18Å; L382-L498 HydrophobicContact CD1-CD1 4.08Å
383	G	98.8	Very high	98.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.8	-52.7	173.5	0	0	0	0	0	112	L364 A379 V380 R385 M386 E387	L364-G383 VanDerWaalsContact CD2-C 3.41Å; A379-G383 PolarHBondContact O-N 2.7Å; V380-G383 PolarHBondContact O-N 2.76Å; G383-R385 PolarHBondContact O-N 3.3Å; G383-M386 PolarHBondContact O-N 2.8Å; G383-M386 VanDerWaalsContact O-N 3.09Å; G383-E387 WeakPolarHBondContact O-CB 3.36Å; G383-E387 PolarHBondContact O-N 3.33Å
384	L	98.8	Very high	98.5	Very high	88 Å²	88	49.1 Å²	49.1	46%	0.461	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-40.5	179.7	-70.8	169.2	0	0	0	112.4	L364 V380 M386 E387 E388	L364-L384 HydrophobicContact CD2-CD2 3.85Å; L364-L384 HydrophobicContact CD2-CG 4.04Å; V380-L384 HydrophobicContact CG1-CD1 3.89Å; V380-L384 HydrophobicContact CG1-CG 4.3Å; V380-L384 WeakPolarHBondContact O-CG 3.18Å; V380-L384 PolarHBondContact O-N 3.44Å; L384-M386 VanDerWaalsContact C-N 3.31Å; L384-M386 PolarHBondContact O-N 3.01Å; L384-E387 PolarHBondContact O-N 3.3Å; L384-E388 PolarHBondContact O-N 2.84Å
385	R	98.8	Very high	98.5	Very high	76 Å²	76	49.4 Å²	49.4	29%	0.287	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-36	173.9	-77.8	171.7	61.5	-150.1	-4.7	112.2	T381 L382 G383 M389 L491 E494	T381-R385 WeakPolarHBondContact O-CG 3.12Å; T381-R385 PolarHBondContact O-N 2.81Å; L382-R385 PolarHBondContact O-N 2.77Å; G383-R385 PolarHBondContact O-N 3.3Å; R385-M389 WeakPolarHBondContact O-CG 3.34Å; R385-M389 PolarHBondContact O-N 2.81Å; R385-L491 HydrophobicContact CB-CD1 3.76Å; R385-L491 HydrophobicContact CB-CD2 3.94Å; R385-E494 IonicContact CZ-OE2 2.79Å; R385-E494 IonicContact NH1-OE2 3.53Å; R385-E494 PolarHBondContact NH1-OE2 3.43Å; R385-E494 IonicContact NH2-OE2 3.26Å; R385-E494 PolarHBondContact NH2-OE2 3.48Å; R385-E494 VanDerWaalsContact NH2-OE2 3.1Å
386	M	98.8	Very high	98.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-73.6	-38	176.2	-177.6	57.6	71.6	0	0	111.6	F360 L382 G383 L384 M389 I390 L491 R492 I495 L538 Y539	F360-M386 HydrophobicContact CD2-CB 4.33Å; F360-M386 HydrophobicContact CD2-CG 3.96Å; F360-M386 HydrophobicContact CE2-CB 4.03Å; F360-M386 HydrophobicContact CE2-CG 3.88Å; L382-M386 PolarHBondContact O-N 3.4Å; G383-M386 PolarHBondContact O-N 2.8Å; G383-M386 VanDerWaalsContact O-N 3.09Å; L384-M386 VanDerWaalsContact C-N 3.31Å; L384-M386 PolarHBondContact O-N 3.01Å; M386-M389 PolarHBondContact O-N 3.24Å; M386-I390 HydrophobicContact CG-CD1 3.83Å; M386-I390 HydrophobicContact CG-CG1 4.4Å; M386-I390 WeakPolarHBondContact O-CD1 3.39Å; M386-I390 VanDerWaalsContact O-CG1 3.24Å; M386-I390 WeakPolarHBondContact O-CG1 3.32Å; M386-I390 PolarHBondContact O-N 3.04Å; M386-I390 HydrophobicContact SD-CD1 4.37Å; M386-I390 HydrophobicContact SD-CG1 4.35Å; M386-L491 HydrophobicContact CB-CD2 4.15Å; M386-L491 HydrophobicContact CE-CD2 3.93Å; M386-L491 HydrophobicContact CE-CG 4.09Å; M386-L491 HydrophobicContact SD-CD2 4.49Å; M386-R492 HydrophobicContact CE-CG 4.12Å; M386-I495 HydrophobicContact CB-CD1 4Å; M386-I495 HydrophobicContact CE-CD1 3.63Å; M386-I495 HydrophobicContact CG-CD1 4.36Å; M386-L538 HydrophobicContact SD-CB 4.17Å; M386-L538 HydrophobicContact SD-CD1 4.42Å; M386-Y539 HydrophobicContact CE-CE2 4.06Å; M386-Y539 HydrophobicContact CG-CE2 3.75Å; M386-Y539 HydrophobicContact SD-CD2 4.39Å; M386-Y539 HydrophobicContact SD-CE2 3.76Å
387	E	98.7	Very high	98.4	Very high	62 Å²	62	48.5 Å²	48.5	29%	0.29	25%	0.251	S	S	.	.	H	α-helix	trans	-59.5	-47.6	173.7	-174.4	170.5	-116.6	0	0	111.7	F360 L364 G383 L384 M389 I390 F391	F360-E387 HydrophobicContact CE2-CB 4.19Å; F360-E387 HydrophobicContact CZ-CB 3.91Å; F360-E387 HydrophobicContact CZ-CG 4.32Å; L364-E387 HydrophobicContact CD2-CB 4.38Å; G383-E387 WeakPolarHBondContact O-CB 3.36Å; G383-E387 PolarHBondContact O-N 3.33Å; L384-E387 PolarHBondContact O-N 3.3Å; E387-M389 VanDerWaalsContact C-N 3.31Å; E387-M389 PolarHBondContact O-N 2.88Å; E387-I390 PolarHBondContact O-N 3.21Å; E387-F391 HydrophobicContact CG-CD2 3.79Å; E387-F391 HydrophobicContact CG-CE2 3.69Å; E387-F391 WeakPolarHBondContact O-CD2 3.48Å; E387-F391 PolarHBondContact O-N 3.21Å
388	E	98.5	Very high	98.4	Very high	141 Å²	141	44.5 Å²	44.5	66%	0.659	23%	0.225	S	C	*	.	H	α-helix	trans	-54.8	-46.5	172.3	-175.3	-174.5	-174.2	0	0	111.2	L384 N392	L384-E388 PolarHBondContact O-N 2.84Å; E388-N392 WeakPolarHBondContact O-CB 3.4Å; E388-N392 PolarHBondContact O-N 2.84Å
389	M	98.6	Very high	98.4	Very high	22 Å²	22	41.9 Å²	41.9	11%	0.108	21%	0.211	C	C	.	.	H	α-helix	trans	-65.9	-37.7	177.9	-68.2	-145	71.5	0	0	113.4	R385 M386 E387 L393 L480 K484 W488 L491 L538	R385-M389 WeakPolarHBondContact O-CG 3.34Å; R385-M389 PolarHBondContact O-N 2.81Å; M386-M389 PolarHBondContact O-N 3.24Å; E387-M389 VanDerWaalsContact C-N 3.31Å; E387-M389 PolarHBondContact O-N 2.88Å; M389-L393 VanDerWaalsContact O-CB 3.32Å; M389-L393 WeakPolarHBondContact O-CB 3.45Å; M389-L393 PolarHBondContact O-N 2.68Å; M389-L480 HydrophobicContact CE-CD1 4.12Å; M389-L480 HydrophobicContact CE-CD2 3.96Å; M389-K484 HydrophobicContact CE-CB 4.31Å; M389-W488 HydrophobicContact CE-CB 3.8Å; M389-W488 HydrophobicContact SD-CB 3.8Å; M389-L491 HydrophobicContact CG-CD2 4.2Å; M389-L491 HydrophobicContact SD-CD2 4.08Å; M389-L538 HydrophobicContact CB-CD1 4.07Å; M389-L538 WeakPolarHBondContact O-CD1 3.47Å
390	I	98.8	Very high	98.4	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-56.4	178.2	-72.9	158.6	0	0	0	110.2	F360 M386 E387 L393 A394 P531 A534 K535 L538	F360-I390 HydrophobicContact CD2-CD1 4.16Å; F360-I390 HydrophobicContact CE1-CD1 4.11Å; F360-I390 HydrophobicContact CE2-CD1 3.57Å; F360-I390 HydrophobicContact CZ-CD1 3.54Å; M386-I390 HydrophobicContact CG-CD1 3.83Å; M386-I390 HydrophobicContact CG-CG1 4.4Å; M386-I390 WeakPolarHBondContact O-CD1 3.39Å; M386-I390 VanDerWaalsContact O-CG1 3.24Å; M386-I390 WeakPolarHBondContact O-CG1 3.32Å; M386-I390 PolarHBondContact O-N 3.04Å; M386-I390 HydrophobicContact SD-CD1 4.37Å; M386-I390 HydrophobicContact SD-CG1 4.35Å; E387-I390 PolarHBondContact O-N 3.21Å; I390-L393 PolarHBondContact O-N 2.79Å; I390-A394 WeakPolarHBondContact O-CB 3.38Å; I390-A394 PolarHBondContact O-N 2.93Å; I390-P531 HydrophobicContact CG2-CB 4.4Å; I390-A534 HydrophobicContact CG2-CB 4.11Å; I390-A534 WeakPolarHBondContact O-CB 3.41Å; I390-K535 HydrophobicContact CD1-CG 3.66Å; I390-K535 HydrophobicContact CG1-CG 4.06Å; I390-K535 HydrophobicContact CG2-CG 4.2Å; I390-L538 HydrophobicContact CB-CD1 4.24Å; I390-L538 HydrophobicContact CG1-CD1 3.67Å
391	F	98.4	Very high	98.3	Very high	84 Å²	84	45.7 Å²	45.7	37%	0.368	23%	0.229	S	C	.	.	H	α-helix	trans	-65.4	-42.1	-180	-73.8	-67.6	0	0	0	111.3	E387 L393 A394 D395 F400 P531	E387-F391 HydrophobicContact CG-CD2 3.79Å; E387-F391 HydrophobicContact CG-CE2 3.69Å; E387-F391 WeakPolarHBondContact O-CD2 3.48Å; E387-F391 PolarHBondContact O-N 3.21Å; F391-L393 VanDerWaalsContact C-N 3.32Å; F391-L393 PolarHBondContact O-N 3.11Å; F391-A394 WeakPolarHBondContact O-CB 3.26Å; F391-A394 PolarHBondContact O-N 2.83Å; F391-A394 VanDerWaalsContact O-N 3.11Å; F391-D395 WeakPolarHBondContact O-CB 3.45Å; F391-D395 PolarHBondContact O-N 2.88Å; F391-F400 HydrophobicContact CD1-CD1 4.19Å; F391-F400 AromaticContact CD1-CE1 3.81Å; F391-F400 HydrophobicContact CD1-CE1 3.81Å; F391-F400 AromaticContact CE1-CE1 3.83Å; F391-F400 HydrophobicContact CE1-CE1 3.83Å; F391-F400 HydrophobicContact CE1-CZ 4.27Å; F391-P531 HydrophobicContact CE1-CG 4.37Å
392	N	98.3	Very high	98.2	Very high	62 Å²	62	43.6 Å²	43.6	33%	0.332	22%	0.215	S	C	.	.	H	α-helix	trans	-63.1	-35.3	179	-170.3	-101.3	0	0	0	113.3	E388 T396 K484	E388-N392 WeakPolarHBondContact O-CB 3.4Å; E388-N392 PolarHBondContact O-N 2.84Å; N392-T396 WeakPolarHBondContact O-CB 3.37Å; N392-T396 PolarHBondContact O-N 3.08Å; N392-T396 PolarHBondContact O-OG1 3.39Å; N392-K484 WeakPolarHBondContact OD1-CE 3.32Å; N392-K484 PolarHBondContact OD1-NZ 3.12Å
393	L	98.6	Very high	98.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-68.4	-46.5	171.8	-171.5	161.2	0	0	0	110.8	M389 I390 F391 D395 T396 H397 L398 V476 L479 L480 A534 L537 L538	M389-L393 VanDerWaalsContact O-CB 3.32Å; M389-L393 WeakPolarHBondContact O-CB 3.45Å; M389-L393 PolarHBondContact O-N 2.68Å; I390-L393 PolarHBondContact O-N 2.79Å; F391-L393 VanDerWaalsContact C-N 3.32Å; F391-L393 PolarHBondContact O-N 3.11Å; L393-D395 VanDerWaalsContact C-N 3.34Å; L393-D395 PolarHBondContact O-N 2.81Å; L393-T396 PolarHBondContact O-N 3.3Å; L393-H397 WeakPolarHBondContact O-CB 3.31Å; L393-H397 PolarHBondContact O-N 3Å; L393-L398 HydrophobicContact CD2-CD1 3.64Å; L393-L398 HydrophobicContact CD2-CG 3.88Å; L393-V476 HydrophobicContact CD1-CG1 4.36Å; L393-L479 HydrophobicContact CD1-CD2 4.45Å; L393-L479 HydrophobicContact CD2-CD2 4.32Å; L393-L479 HydrophobicContact CG-CD2 4.45Å; L393-L480 HydrophobicContact CD1-CD2 4.06Å; L393-A534 HydrophobicContact CD2-CB 3.94Å; L393-L537 HydrophobicContact CD2-CD1 4.19Å; L393-L538 HydrophobicContact CB-CD1 4.46Å; L393-L538 HydrophobicContact CD1-CD1 4.24Å; L393-L538 HydrophobicContact CD1-CD2 3.88Å; L393-L538 HydrophobicContact CD1-CG 3.87Å
394	A	98.6	Very high	98	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58	-44.2	-179.7	0	0	0	0	0	112.2	I390 F391 L398 F399 F400 I530 A534	I390-A394 WeakPolarHBondContact O-CB 3.38Å; I390-A394 PolarHBondContact O-N 2.93Å; F391-A394 WeakPolarHBondContact O-CB 3.26Å; F391-A394 PolarHBondContact O-N 2.83Å; F391-A394 VanDerWaalsContact O-N 3.11Å; A394-L398 CarbonylContact O-C 3.59Å; A394-L398 VanDerWaalsContact O-C 3.25Å; A394-L398 VanDerWaalsContact O-CA 3.3Å; A394-L398 WeakPolarHBondContact O-CA 3.25Å; A394-L398 WeakPolarHBondContact O-CB 3.42Å; A394-L398 PolarHBondContact O-N 2.96Å; A394-F399 PolarHBondContact O-N 2.96Å; A394-F400 HydrophobicContact CB-CB 3.79Å; A394-F400 HydrophobicContact CB-CD1 4.49Å; A394-F400 HydrophobicContact CB-CG 4.16Å; A394-F400 WeakPolarHBondContact O-CB 3.45Å; A394-F400 PolarHBondContact O-N 2.89Å; A394-F400 VanDerWaalsContact O-N 3.1Å; A394-I530 HydrophobicContact CB-CG2 4.17Å; A394-A534 HydrophobicContact CB-CB 4.11Å
395	D	97.6	Very high	97.7	Very high	61 Å²	61	53.1 Å²	53.1	33%	0.326	26%	0.257	S	S	.	.	H	α-helix	trans	-69.4	-53	176.2	-70.3	-31.6	0	0	0	112.7	F391 L393 H397 F400 N401	F391-D395 WeakPolarHBondContact O-CB 3.45Å; F391-D395 PolarHBondContact O-N 2.88Å; L393-D395 VanDerWaalsContact C-N 3.34Å; L393-D395 PolarHBondContact O-N 2.81Å; D395-H397 VanDerWaalsContact C-N 3.3Å; D395-H397 PolarHBondContact O-N 2.83Å; D395-F400 WeakPolarHBondContact OD1-CD1 3.27Å; D395-N401 PolarHBondContact OD1-ND2 3.46Å
396	T	97.1	Very high	97.5	Very high	78 Å²	78	50.3 Å²	50.3	48%	0.479	25%	0.249	S	C	.	.	H	α-helix	trans	-68.9	-29.2	-171.5	-51.6	0	0	0	0	112.3	N392 L393	N392-T396 WeakPolarHBondContact O-CB 3.37Å; N392-T396 PolarHBondContact O-N 3.08Å; N392-T396 PolarHBondContact O-OG1 3.39Å; L393-T396 PolarHBondContact O-N 3.3Å
397	H	97.3	Very high	97.4	Very high	41 Å²	41	50.5 Å²	50.5	19%	0.19	25%	0.25	C	C	.	.	H	α-helix	trans	-128.6	-26.4	-169	-55.6	-71.8	0	0	0	115.3	L393 D395 L468 L479	L393-H397 WeakPolarHBondContact O-CB 3.31Å; L393-H397 PolarHBondContact O-N 3Å; D395-H397 VanDerWaalsContact C-N 3.3Å; D395-H397 PolarHBondContact O-N 2.83Å; H397-L468 WeakPolarHBondContact O-CD1 3.33Å; H397-L479 HydrophobicContact CB-CD1 4.05Å; H397-L479 HydrophobicContact CB-CD2 4.35Å; H397-L479 HydrophobicContact CB-CG 4.37Å; H397-L479 PolarHBondContact CE1-O 2.85Å; H397-L479 VanDerWaalsContact CE1-O 3.27Å; H397-L479 PolarHBondContact NE2-O 2.84Å
398	L	98.5	Very high	97.4	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-113.2	15.2	-171.6	-50.1	-178.8	0	0	0	113.7	L393 A394 F400 V465 I530 L533 A534	L393-L398 HydrophobicContact CD2-CD1 3.64Å; L393-L398 HydrophobicContact CD2-CG 3.88Å; A394-L398 CarbonylContact O-C 3.59Å; A394-L398 VanDerWaalsContact O-C 3.25Å; A394-L398 VanDerWaalsContact O-CA 3.3Å; A394-L398 WeakPolarHBondContact O-CA 3.25Å; A394-L398 WeakPolarHBondContact O-CB 3.42Å; A394-L398 PolarHBondContact O-N 2.96Å; L398-F400 VanDerWaalsContact C-N 3.31Å; L398-F400 PolarHBondContact O-N 3.32Å; L398-V465 HydrophobicContact CB-CG2 4.1Å; L398-V465 HydrophobicContact CD2-CG1 4.35Å; L398-V465 HydrophobicContact CD2-CG2 4.38Å; L398-V465 WeakPolarHBondContact O-CG2 3.35Å; L398-I530 HydrophobicContact CB-CG2 3.69Å; L398-L533 HydrophobicContact CD1-CB 4.24Å; L398-A534 HydrophobicContact CD1-CB 4.26Å
399	F	98.3	Very high	97.4	Very high	41 Å²	41	43.6 Å²	43.6	18%	0.18	22%	0.219	C	C	.	.			trans	59.5	31.3	176.3	-48.7	-85.6	0	0	0	114.6	A394 N401 D402 L403 F428 R461 R464 V465	A394-F399 PolarHBondContact O-N 2.96Å; F399-N401 VanDerWaalsContact C-N 3.34Å; F399-N401 PolarHBondContact O-N 3.39Å; F399-D402 HydrophobicContact CB-CB 4.27Å; F399-D402 WeakPolarHBondContact O-CA 3.49Å; F399-D402 WeakPolarHBondContact O-CB 3.21Å; F399-D402 PolarHBondContact O-N 3.46Å; F399-L403 HydrophobicContact CB-CD1 4.11Å; F399-L403 HydrophobicContact CB-CG 4.17Å; F399-L403 WeakPolarHBondContact O-CB 3.31Å; F399-L403 WeakPolarHBondContact O-CG 3.42Å; F399-L403 PolarHBondContact O-N 3.29Å; F399-F428 HydrophobicContact CD1-CB 4.42Å; F399-F428 HydrophobicContact CE1-CB 3.63Å; F399-F428 AromaticContact CE1-CD1 3.82Å; F399-F428 HydrophobicContact CE1-CD1 3.82Å; F399-F428 HydrophobicContact CE1-CD2 4.02Å; F399-F428 AromaticContact CE1-CG 3.54Å; F399-F428 HydrophobicContact CE1-CG 3.54Å; F399-F428 HydrophobicContact CZ-CB 4.33Å; F399-F428 AromaticContact CZ-CD1 3.88Å; F399-F428 HydrophobicContact CZ-CD1 3.88Å; F399-F428 AromaticContact CZ-CD2 3.86Å; F399-F428 HydrophobicContact CZ-CD2 3.86Å; F399-F428 HydrophobicContact CZ-CE1 4.12Å; F399-F428 HydrophobicContact CZ-CE2 4.12Å; F399-F428 AromaticContact CZ-CG 3.75Å; F399-F428 HydrophobicContact CZ-CG 3.75Å; F399-F428 HydrophobicContact CZ-CZ 4.25Å; F399-R461 HydrophobicContact CB-CG 4.48Å; F399-R461 HydrophobicContact CD1-CG 4.43Å; F399-R461 HydrophobicContact CD2-CB 4.35Å; F399-R461 HydrophobicContact CD2-CG 4.38Å; F399-R461 HydrophobicContact CG-CG 4.19Å; F399-R464 HydrophobicContact CE2-CB 3.93Å; F399-R464 HydrophobicContact CE2-CG 3.73Å; F399-R464 HydrophobicContact CZ-CB 4.41Å; F399-R464 HydrophobicContact CZ-CG 3.93Å; F399-V465 HydrophobicContact CD2-CG2 4.07Å
400	F	98.1	Very high	97.4	Very high	12 Å²	12	42.9 Å²	42.9	5%	0.053	22%	0.215	C	C	.	.	H	α-helix	trans	-58.1	-41.8	-174.2	-175.9	-122.7	0	0	0	113.7	F391 A394 D395 L398 D402 L403 E404 I530 P531	F391-F400 HydrophobicContact CD1-CD1 4.19Å; F391-F400 AromaticContact CD1-CE1 3.81Å; F391-F400 HydrophobicContact CD1-CE1 3.81Å; F391-F400 AromaticContact CE1-CE1 3.83Å; F391-F400 HydrophobicContact CE1-CE1 3.83Å; F391-F400 HydrophobicContact CE1-CZ 4.27Å; A394-F400 HydrophobicContact CB-CB 3.79Å; A394-F400 HydrophobicContact CB-CD1 4.49Å; A394-F400 HydrophobicContact CB-CG 4.16Å; A394-F400 WeakPolarHBondContact O-CB 3.45Å; A394-F400 PolarHBondContact O-N 2.89Å; A394-F400 VanDerWaalsContact O-N 3.1Å; D395-F400 WeakPolarHBondContact OD1-CD1 3.27Å; L398-F400 VanDerWaalsContact C-N 3.31Å; L398-F400 PolarHBondContact O-N 3.32Å; F400-D402 PolarHBondContact O-N 3.4Å; F400-D402 VanDerWaalsContact O-N 3.14Å; F400-L403 PolarHBondContact O-N 3.02Å; F400-E404 HydrophobicContact CD2-CB 4.29Å; F400-E404 HydrophobicContact CE2-CB 3.82Å; F400-E404 HydrophobicContact CE2-CG 4.03Å; F400-E404 HydrophobicContact CZ-CB 4Å; F400-E404 HydrophobicContact CZ-CG 3.84Å; F400-E404 PolarHBondContact O-N 2.95Å; F400-I530 HydrophobicContact CB-CG2 3.81Å; F400-I530 HydrophobicContact CD2-CB 4.01Å; F400-I530 HydrophobicContact CD2-CG2 3.91Å; F400-I530 HydrophobicContact CG-CG2 4.25Å; F400-P531 HydrophobicContact CD2-CG 3.91Å; F400-P531 HydrophobicContact CE1-CG 4.37Å; F400-P531 HydrophobicContact CE2-CG 3.51Å; F400-P531 HydrophobicContact CZ-CG 3.78Å
401	N	96.2	Very high	97.4	Very high	111 Å²	111	43 Å²	43	59%	0.594	22%	0.215	S	C	*	.	H	α-helix	trans	-54.9	-26.8	171	-83.4	-102.2	0	0	0	114.6	D395 F399 H434	D395-N401 PolarHBondContact OD1-ND2 3.46Å; F399-N401 VanDerWaalsContact C-N 3.34Å; F399-N401 PolarHBondContact O-N 3.39Å; N401-H434 PolarHBondContact O-CE1 3.01Å
402	D	96.4	Very high	97.4	Very high	28 Å²	28	40.2 Å²	40.2	15%	0.15	20%	0.204	C	C	.	.	H	α-helix	trans	-90.4	-29.4	174.4	-71.3	0.8	0	0	0	111.4	F399 F400 C406 F433 H434 R461	F399-D402 HydrophobicContact CB-CB 4.27Å; F399-D402 WeakPolarHBondContact O-CA 3.49Å; F399-D402 WeakPolarHBondContact O-CB 3.21Å; F399-D402 PolarHBondContact O-N 3.46Å; F400-D402 PolarHBondContact O-N 3.4Å; F400-D402 VanDerWaalsContact O-N 3.14Å; D402-C406 PolarHBondContact O-SG 3.2Å; D402-C406 VanDerWaalsContact O-SG 3.4Å; D402-F433 HydrophobicContact CB-CD1 4.02Å; D402-F433 HydrophobicContact CB-CE1 3.97Å; D402-F433 VanDerWaalsContact O-CE1 3.3Å; D402-F433 WeakPolarHBondContact O-CE1 3.39Å; D402-H434 WeakPolarHBondContact CA-CE1 3.47Å; D402-H434 IonicContact OD1-CD2 3.35Å; D402-H434 IonicContact OD1-CE1 3.1Å; D402-H434 CovalentContact OD1-NE2 1.8Å; D402-H434 IonicContact OD1-NE2 3.62Å; D402-H434 PolarHBondContact OD1-NE2 2.97Å; D402-H434 IonicContact OD2-NE2 2.69Å; D402-R461 IonicContact OD2-CZ 3.98Å; D402-R461 IonicContact OD2-NE 3.34Å; D402-R461 PolarHBondContact OD2-NE 2.82Å; D402-R461 IonicContact OD2-NH2 3.43Å; D402-R461 PolarHBondContact OD2-NH2 3.3Å
403	L	97.5	Very high	97.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-101.2	-17.4	-166.3	-65.8	-177.7	0	0	0	115.3	F399 F400 E405 C406 D407 L458 R461 Y462 V465 I530	F399-L403 HydrophobicContact CB-CD1 4.11Å; F399-L403 HydrophobicContact CB-CG 4.17Å; F399-L403 WeakPolarHBondContact O-CB 3.31Å; F399-L403 WeakPolarHBondContact O-CG 3.42Å; F399-L403 PolarHBondContact O-N 3.29Å; F400-L403 PolarHBondContact O-N 3.02Å; L403-E405 PolarHBondContact O-N 3.4Å; L403-C406 CarbonylContact O-C 3.25Å; L403-C406 VanDerWaalsContact O-C 3.26Å; L403-C406 PolarHBondContact O-N 2.78Å; L403-D407 WeakPolarHBondContact O-CA 3.43Å; L403-D407 PolarHBondContact O-N 3.41Å; L403-L458 HydrophobicContact CD2-CD1 3.47Å; L403-L458 VanDerWaalsContact CD2-CD1 3.47Å; L403-R461 HydrophobicContact CD1-CB 4.22Å; L403-R461 HydrophobicContact CD2-CB 3.99Å; L403-R461 HydrophobicContact CG-CB 4.46Å; L403-Y462 HydrophobicContact CD1-CD1 4.46Å; L403-Y462 HydrophobicContact CD1-CE1 4.12Å; L403-Y462 HydrophobicContact CD1-CE2 4.21Å; L403-Y462 HydrophobicContact CD2-CD2 4.26Å; L403-Y462 HydrophobicContact CD2-CE2 3.76Å; L403-V465 HydrophobicContact CD1-CG2 4.5Å; L403-I530 HydrophobicContact CB-CG1 4.1Å; L403-I530 HydrophobicContact CD1-CD1 3.69Å; L403-I530 HydrophobicContact CD1-CG1 3.76Å
404	E	95.8	Very high	97.3	Very high	101 Å²	101	40 Å²	40	47%	0.472	20%	0.204	S	C	.	.	S	Bend	trans	-52.4	-55.3	-175.8	-178.3	172.2	-148.7	0	0	113.1	F400 C406 D407	F400-E404 HydrophobicContact CD2-CB 4.29Å; F400-E404 HydrophobicContact CE2-CB 3.82Å; F400-E404 HydrophobicContact CE2-CG 4.03Å; F400-E404 HydrophobicContact CZ-CB 4Å; F400-E404 HydrophobicContact CZ-CG 3.84Å; F400-E404 PolarHBondContact O-N 2.95Å; E404-C406 PolarHBondContact O-N 2.96Å; E404-D407 PolarHBondContact O-N 2.96Å
405	E	92.9	Very high	97.2	Very high	190 Å²	190	41.6 Å²	41.6	89%	0.888	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-30	179.3	-62.9	-167.7	158.3	0	0	112.6	L403	L403-E405 PolarHBondContact O-N 3.4Å
406	C	94.9	Very high	97.2	Very high	16 Å²	16	43.1 Å²	43.1	11%	0.108	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	22.2	-174	62.6	0	0	0	0	114.6	D402 L403 E404 Q408 W454 L458	D402-C406 PolarHBondContact O-SG 3.2Å; D402-C406 VanDerWaalsContact O-SG 3.4Å; L403-C406 CarbonylContact O-C 3.25Å; L403-C406 VanDerWaalsContact O-C 3.26Å; L403-C406 PolarHBondContact O-N 2.78Å; E404-C406 PolarHBondContact O-N 2.96Å; C406-Q408 PolarHBondContact O-NE2 2.6Å; C406-W454 HydrophobicContact CB-CH2 3.81Å; C406-W454 HydrophobicContact CB-CZ2 3.79Å; C406-L458 HydrophobicContact CB-CD1 4.31Å; C406-L458 WeakPolarHBondContact SG-CD1 3.44Å
407	D	96.2	Very high	97.2	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	22%	0.22	C	C	.	.			trans	-53	149.1	-176.7	-174.6	47.2	0	0	0	114.3	L403 E404 Y462 Q528 L529 K555	L403-D407 WeakPolarHBondContact O-CA 3.43Å; L403-D407 PolarHBondContact O-N 3.41Å; E404-D407 PolarHBondContact O-N 2.96Å; D407-Y462 WeakPolarHBondContact CA-OH 3.4Å; D407-Y462 PolarHBondContact OD1-OH 3.38Å; D407-Q528 WeakPolarHBondContact OD2-CA 3.46Å; D407-Q528 WeakPolarHBondContact OD2-CB 3.49Å; D407-L529 WeakPolarHBondContact OD1-CB 3.42Å; D407-L529 PolarHBondContact OD1-N 3.48Å; D407-L529 PolarHBondContact OD2-N 2.9Å; D407-L529 VanDerWaalsContact OD2-N 3.15Å; D407-K555 WeakPolarHBondContact O-CE 3.26Å; D407-K555 PolarHBondContact O-NZ 2.94Å
408	Q	98.2	Very high	97.1	Very high	44 Å²	44	41.4 Å²	41.4	21%	0.206	22%	0.219	C	C	.	.			trans	-121.1	150	-170.5	-62.3	-61	-49.2	0	0	112	C406 V414 Y462 L529	C406-Q408 PolarHBondContact O-NE2 2.6Å; Q408-V414 HydrophobicContact CG-CG1 4.17Å; Q408-Y462 HydrophobicContact CB-CE1 4.3Å; Q408-Y462 HydrophobicContact CB-CE2 4.16Å; Q408-Y462 HydrophobicContact CG-CD2 4.06Å; Q408-Y462 HydrophobicContact CG-CE1 4.37Å; Q408-Y462 HydrophobicContact CG-CE2 3.36Å; Q408-Y462 PolarHBondContact N-OH 2.85Å; Q408-L529 VanDerWaalsContact O-CB 3.22Å; Q408-L529 WeakPolarHBondContact O-CB 3.38Å; Q408-L529 WeakPolarHBondContact O-CD2 3.37Å
409	V	98.6	Very high	96.9	Very high	14 Å²	14	45.7 Å²	45.7	9%	0.085	24%	0.242	C	C	.	.	S	Bend	trans	-70.4	-36.4	178.6	168.4	0	0	0	0	111.4	Y551 S552 I556 R564	V409-Y551 CarbonylContact O-C 3.26Å; V409-Y551 WeakPolarHBondContact O-CA 3.31Å; V409-S552 PolarHBondContact O-N 3.09Å; V409-I556 HydrophobicContact CB-CD1 4.36Å; V409-I556 HydrophobicContact CG1-CD1 3.63Å; V409-I556 HydrophobicContact CG1-CG1 4.26Å; V409-I556 HydrophobicContact CG2-CD1 3.85Å; V409-I556 HydrophobicContact CG2-CG1 3.87Å; V409-I556 HydrophobicContact CG2-CG2 3.97Å; V409-R564 VanDerWaalsContact CG1-NH1 3.28Å
410	H	98.7	Very high	96.8	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.037	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-139.1	148	-178	-175.7	-95	0	0	0	111.5	D412 D413 E548 I550 Y551	H410-D412 VanDerWaalsContact CE1-CB 3.4Å; H410-D412 WeakPolarHBondContact CE1-CB 3.43Å; H410-D412 IonicContact CE1-OD2 2.72Å; H410-D412 PolarHBondContact CE1-OD2 3.4Å; H410-D412 PolarHBondContact ND1-N 2.88Å; H410-D412 VanDerWaalsContact ND1-N 3.17Å; H410-D412 PolarHBondContact O-N 2.74Å; H410-D412 VanDerWaalsContact O-N 3.09Å; H410-D413 WeakPolarHBondContact CB-OD2 3.38Å; H410-D413 PolarHBondContact N-OD2 2.9Å; H410-D413 WeakPolarHBondContact O-CB 3.49Å; H410-D413 PolarHBondContact O-N 2.72Å; H410-D413 VanDerWaalsContact O-N 3.11Å; H410-E548 WeakPolarHBondContact NE2-CA 3.46Å; H410-E548 CovalentContact NE2-O 1.81Å; H410-E548 PolarHBondContact NE2-O 3.09Å; H410-I550 PolarHBondContact CD2-O 2.95Å; H410-Y551 HydrophobicContact CB-CD1 4.24Å; H410-Y551 HydrophobicContact CB-CE1 4.33Å; H410-Y551 AromaticContact CD2-CD1 3.78Å; H410-Y551 AromaticContact CD2-CE1 3.43Å; H410-Y551 VanDerWaalsContact CD2-CE1 3.43Å; H410-Y551 WeakPolarHBondContact CD2-CE1 3.47Å; H410-Y551 AromaticContact CD2-CZ 3.76Å
411	I	98.5	Very high	96.7	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.2	-174.9	-170	62.6	0	0	0	114.1	Y462 V465 K466 L533 I547	I411-Y462 HydrophobicContact CD1-CD1 3.93Å; I411-Y462 WeakPolarHBondContact CD1-O 3.38Å; I411-V465 HydrophobicContact CD1-CB 4.4Å; I411-V465 HydrophobicContact CD1-CG1 3.99Å; I411-K466 HydrophobicContact CD1-CB 4.2Å; I411-K466 HydrophobicContact CG1-CB 3.88Å; I411-K466 HydrophobicContact CG1-CD 4.02Å; I411-K466 HydrophobicContact CG1-CG 3.89Å; I411-L533 HydrophobicContact CD1-CD1 4.46Å; I411-I547 HydrophobicContact CB-CD1 4.36Å; I411-I547 HydrophobicContact CB-CG1 4.07Å; I411-I547 HydrophobicContact CD1-CD1 3.76Å; I411-I547 HydrophobicContact CD1-CG1 4.4Å; I411-I547 HydrophobicContact CG1-CD1 3.71Å; I411-I547 HydrophobicContact CG1-CG1 3.93Å; I411-I547 HydrophobicContact CG2-CG1 4.14Å
412	D	98.2	Very high	96.6	Very high	26 Å²	26	48.9 Å²	48.9	14%	0.139	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	3.8	-176.8	-64.7	-54.1	0	0	0	114	H410 V414 S415 K466	H410-D412 VanDerWaalsContact CE1-CB 3.4Å; H410-D412 WeakPolarHBondContact CE1-CB 3.43Å; H410-D412 IonicContact CE1-OD2 2.72Å; H410-D412 PolarHBondContact CE1-OD2 3.4Å; H410-D412 PolarHBondContact ND1-N 2.88Å; H410-D412 VanDerWaalsContact ND1-N 3.17Å; H410-D412 PolarHBondContact O-N 2.74Å; H410-D412 VanDerWaalsContact O-N 3.09Å; D412-V414 PolarHBondContact O-N 2.96Å; D412-V414 VanDerWaalsContact O-N 3.17Å; D412-S415 WeakPolarHBondContact O-CB 3.34Å; D412-S415 PolarHBondContact O-N 2.69Å; D412-S415 PolarHBondContact O-OG 3.44Å; D412-K466 IonicContact OD1-NZ 2.69Å; D412-K466 PolarHBondContact OD1-NZ 3.41Å; D412-K466 IonicContact OD2-NZ 2.72Å; D412-K466 PolarHBondContact OD2-NZ 3.07Å
413	D	98.2	Very high	96.6	Very high	54 Å²	54	47.7 Å²	47.7	29%	0.289	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.4	-173.6	-90.1	-33.6	0	0	0	113.8	H410 R564	H410-D413 WeakPolarHBondContact CB-OD2 3.38Å; H410-D413 PolarHBondContact N-OD2 2.9Å; H410-D413 WeakPolarHBondContact O-CB 3.49Å; H410-D413 PolarHBondContact O-N 2.72Å; H410-D413 VanDerWaalsContact O-N 3.11Å; D413-R564 IonicContact OD1-CZ 3.48Å; D413-R564 IonicContact OD1-NH1 2.77Å; D413-R564 PolarHBondContact OD1-NH1 3.17Å; D413-R564 VanDerWaalsContact OD1-NH1 3.11Å; D413-R564 IonicContact OD1-NH2 3.57Å; D413-R564 PolarHBondContact OD1-NH2 3.18Å; D413-R564 IonicContact OD2-CZ 2.74Å; D413-R564 IonicContact OD2-NH1 3.54Å; D413-R564 PolarHBondContact OD2-NH1 3.44Å; D413-R564 IonicContact OD2-NH2 2.74Å
414	V	97.7	Very high	96.4	Very high	6 Å²	6	51.6 Å²	51.6	4%	0.036	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	5.6	177.3	-64.9	0	0	0	0	113.7	Q408 D412 S416 D417 M455 L458 A459 Y462	Q408-V414 HydrophobicContact CG-CG1 4.17Å; D412-V414 PolarHBondContact O-N 2.96Å; D412-V414 VanDerWaalsContact O-N 3.17Å; V414-S416 PolarHBondContact O-N 3.31Å; V414-D417 PolarHBondContact O-N 3.22Å; V414-M455 HydrophobicContact CB-CE 4.36Å; V414-M455 HydrophobicContact CG1-CE 4.01Å; V414-L458 HydrophobicContact CG1-CD2 3.92Å; V414-L458 HydrophobicContact CG1-CG 4.3Å; V414-L458 HydrophobicContact CG2-CG 4.39Å; V414-A459 HydrophobicContact CB-CB 4.45Å; V414-A459 HydrophobicContact CG2-CB 4.21Å; V414-A459 VanDerWaalsContact O-CB 3.31Å; V414-A459 WeakPolarHBondContact O-CB 3.47Å; V414-Y462 HydrophobicContact CG2-CD2 3.79Å; V414-Y462 HydrophobicContact CG2-CG 4.28Å
415	S	96.9	Very high	96.4	Very high	32 Å²	32	52.8 Å²	52.8	22%	0.224	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-11.3	-174.3	66.4	0	0	0	0	114.8	N335 D412 D417	N335-S415 PolarHBondContact ND2-OG 3.19Å; D412-S415 WeakPolarHBondContact O-CB 3.34Å; D412-S415 PolarHBondContact O-N 2.69Å; D412-S415 PolarHBondContact O-OG 3.44Å; S415-D417 VanDerWaalsContact C-N 3.27Å; S415-D417 PolarHBondContact O-N 2.73Å
416	S	96.6	Very high	96.5	Very high	93 Å²	93	46.2 Å²	46.2	65%	0.65	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.4	175	46.1	0	0	0	0	114.7	V414	V414-S416 PolarHBondContact O-N 3.31Å
417	D	96.6	Very high	96.6	Very high	52 Å²	52	48.5 Å²	48.5	28%	0.278	29%	0.293	S	S	.	.	S	Bend	trans	-103.1	-6.2	-171.7	-66.4	-102.6	0	0	0	112.2	V414 S415 M455 R456	V414-D417 PolarHBondContact O-N 3.22Å; S415-D417 VanDerWaalsContact C-N 3.27Å; S415-D417 PolarHBondContact O-N 2.73Å; D417-M455 HydrophobicContact CB-CB 3.93Å; D417-R456 WeakPolarHBondContact O-CB 3.44Å; D417-R456 WeakPolarHBondContact O-CG 3.35Å
418	D	95.7	Very high	96.6	Very high	31 Å²	31	49.4 Å²	49.4	17%	0.166	30%	0.297	C	S	.	.			trans	-70.3	146.7	169.5	-153.6	-49.4	0	0	0	111.2	G420 A459 F460 R463	D418-G420 PolarHBondContact OD1-N 2.55Å; D418-A459 HydrophobicContact CB-CB 3.91Å; D418-F460 WeakPolarHBondContact OD1-CE1 3.46Å; D418-R463 IonicContact OD1-CZ 2.68Å; D418-R463 IonicContact OD1-NE 2.74Å; D418-R463 IonicContact OD1-NH2 3.11Å; D418-R463 PolarHBondContact OD1-NH2 2.95Å; D418-R463 IonicContact OD2-CZ 2.79Å; D418-R463 IonicContact OD2-NE 2.55Å; D418-R463 PolarHBondContact OD2-NE 3.34Å; D418-R463 IonicContact OD2-NH2 2.85Å; D418-R463 PolarHBondContact OD2-NH2 3.34Å
419	N	95.4	Very high	96.4	Very high	91 Å²	91	52.2 Å²	52.2	49%	0.487	33%	0.327	S	S	.	.			trans	-101.9	-0.6	175.7	67.7	-3.6	0	0	0	113.3	Q421 F460	N419-Q421 VanDerWaalsContact C-N 3.3Å; N419-Q421 PolarHBondContact ND2-OE1 2.98Å; N419-Q421 PolarHBondContact O-N 3.03Å; N419-Q421 VanDerWaalsContact OD1-CB 3.26Å; N419-Q421 WeakPolarHBondContact OD1-CB 3.45Å; N419-Q421 WeakPolarHBondContact OD1-CG 3.27Å; N419-Q421 PolarHBondContact OD1-N 2.71Å; N419-Q421 PolarHBondContact OD1-OE1 3.17Å; N419-F460 VanDerWaalsContact OD1-CE1 3.25Å; N419-F460 WeakPolarHBondContact OD1-CE1 3.3Å; N419-F460 WeakPolarHBondContact OD1-CZ 3.49Å
420	G	95	Very high	96.2	Very high	61 Å²	61	56.8 Å²	56.8	63%	0.629	36%	0.356	S	S	*	.			trans	74	13.4	-177.4	0	0	0	0	0	114.7	D418	D418-G420 PolarHBondContact OD1-N 2.55Å
421	Q	95.9	Very high	96	Very high	67 Å²	67	57.8 Å²	57.8	31%	0.313	36%	0.361	S	S	.	.			trans	-64.9	150.4	178.4	76.3	-174.9	31.1	0	0	111.8	N419 L423 F460 R463	N419-Q421 VanDerWaalsContact C-N 3.3Å; N419-Q421 PolarHBondContact ND2-OE1 2.98Å; N419-Q421 PolarHBondContact O-N 3.03Å; N419-Q421 VanDerWaalsContact OD1-CB 3.26Å; N419-Q421 WeakPolarHBondContact OD1-CB 3.45Å; N419-Q421 WeakPolarHBondContact OD1-CG 3.27Å; N419-Q421 PolarHBondContact OD1-N 2.71Å; N419-Q421 PolarHBondContact OD1-OE1 3.17Å; Q421-L423 HydrophobicContact CG-CD2 4.22Å; Q421-F460 HydrophobicContact CG-CE1 3.88Å; Q421-F460 HydrophobicContact CG-CE2 4.5Å; Q421-F460 HydrophobicContact CG-CZ 3.72Å; Q421-F460 VanDerWaalsContact NE2-CE2 3.27Å; Q421-F460 VanDerWaalsContact NE2-CZ 3.26Å; Q421-R463 VanDerWaalsContact O-CZ 3.3Å; Q421-R463 PolarHBondContact O-NH1 2.76Å; Q421-R463 PolarHBondContact O-NH2 2.87Å
422	D	95	Very high	95.7	Very high	104 Å²	104	59.3 Å²	59.3	56%	0.556	38%	0.378	S	S	*	.			trans	-60.8	138.2	169.4	176.7	33.1	0	0	0	110.9	S424	D422-S424 WeakPolarHBondContact OD1-CB 3.09Å; D422-S424 PolarHBondContact OD1-N 2.88Å; D422-S424 PolarHBondContact OD1-OG 2.9Å; D422-S424 WeakPolarHBondContact OD2-CB 3.17Å; D422-S424 PolarHBondContact OD2-OG 3.05Å
423	L	96.3	Very high	95.4	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.016	37%	0.372	C	S	.	.			trans	-107.6	-1.4	179.2	-62.3	174.8	0	0	0	112.6	Q421 T425 Y426 F428 F460 R463 R464	Q421-L423 HydrophobicContact CG-CD2 4.22Å; L423-T425 PolarHBondContact O-N 3.45Å; L423-T425 VanDerWaalsContact O-N 3.15Å; L423-Y426 HydrophobicContact CD2-CD1 4.24Å; L423-Y426 HydrophobicContact CD2-CD2 4.3Å; L423-Y426 HydrophobicContact CD2-CG 3.88Å; L423-Y426 PolarHBondContact O-N 3.13Å; L423-Y426 VanDerWaalsContact O-N 3.11Å; L423-F428 HydrophobicContact CB-CZ 4.26Å; L423-F428 HydrophobicContact CD1-CZ 4.21Å; L423-F428 HydrophobicContact CD2-CZ 4.28Å; L423-F428 HydrophobicContact CG-CZ 4.47Å; L423-F460 HydrophobicContact CD1-CB 4.14Å; L423-F460 WeakPolarHBondContact CD1-O 3.4Å; L423-F460 HydrophobicContact CD2-CB 3.98Å; L423-F460 HydrophobicContact CD2-CD1 4Å; L423-F460 HydrophobicContact CD2-CD2 4.19Å; L423-F460 HydrophobicContact CD2-CG 3.82Å; L423-R463 HydrophobicContact CD1-CB 4.44Å; L423-R463 HydrophobicContact CD1-CG 4.42Å; L423-R463 VanDerWaalsContact CD1-CZ 3.49Å; L423-R464 HydrophobicContact CD1-CB 4.26Å
424	S	93.3	Very high	94.8	Very high	82 Å²	82	61.1 Å²	61.1	57%	0.573	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.2	-179.6	79.4	0	0	0	0	113.9	D422	D422-S424 WeakPolarHBondContact OD1-CB 3.09Å; D422-S424 PolarHBondContact OD1-N 2.88Å; D422-S424 PolarHBondContact OD1-OG 2.9Å; D422-S424 WeakPolarHBondContact OD2-CB 3.17Å; D422-S424 PolarHBondContact OD2-OG 3.05Å
425	T	94.8	Very high	93.8	Very high	126 Å²	126	64 Å²	64	77%	0.773	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	7.7	179.5	50.5	0	0	0	0	113.2	L423	L423-T425 PolarHBondContact O-N 3.45Å; L423-T425 VanDerWaalsContact O-N 3.15Å
426	Y	96.8	Very high	92.3	Very high	53 Å²	53	63 Å²	63	21%	0.208	40%	0.401	C	S	.	.			trans	-81.6	125.1	-175.9	-172.2	-94.9	0	0	0	112.2	L423 F428 D431 F460	L423-Y426 HydrophobicContact CD2-CD1 4.24Å; L423-Y426 HydrophobicContact CD2-CD2 4.3Å; L423-Y426 HydrophobicContact CD2-CG 3.88Å; L423-Y426 PolarHBondContact O-N 3.13Å; L423-Y426 VanDerWaalsContact O-N 3.11Å; Y426-F428 AromaticContact CD1-CD1 3.78Å; Y426-F428 HydrophobicContact CD1-CD1 3.78Å; Y426-F428 AromaticContact CD1-CD2 3.83Å; Y426-F428 HydrophobicContact CD1-CD2 3.83Å; Y426-F428 AromaticContact CD1-CE1 3.73Å; Y426-F428 HydrophobicContact CD1-CE1 3.73Å; Y426-F428 AromaticContact CD1-CE2 3.77Å; Y426-F428 HydrophobicContact CD1-CE2 3.77Å; Y426-F428 AromaticContact CD1-CG 3.82Å; Y426-F428 HydrophobicContact CD1-CG 3.82Å; Y426-F428 AromaticContact CD1-CZ 3.71Å; Y426-F428 HydrophobicContact CD1-CZ 3.71Å; Y426-F428 AromaticContact CE1-CD1 3.83Å; Y426-F428 HydrophobicContact CE1-CD1 3.83Å; Y426-F428 AromaticContact CE1-CE1 3.98Å; Y426-F428 HydrophobicContact CE1-CE1 3.98Å; Y426-F428 HydrophobicContact CE1-CG 4.15Å; Y426-F428 HydrophobicContact CE1-CZ 4.43Å; Y426-F428 WeakPolarHBondContact O-CD2 3.25Å; Y426-F428 PolarHBondContact O-N 2.9Å; Y426-D431 HydrophobicContact CE1-CB 4.04Å; Y426-D431 VanDerWaalsContact OH-CB 3.3Å; Y426-D431 WeakPolarHBondContact OH-CB 3.44Å; Y426-D431 PolarHBondContact OH-OD2 2.83Å; Y426-D431 VanDerWaalsContact OH-OD2 3.1Å; Y426-F460 HydrophobicContact CE1-CD2 4.08Å; Y426-F460 AromaticContact CE2-CD2 3.95Å; Y426-F460 HydrophobicContact CE2-CD2 3.95Å; Y426-F460 AromaticContact CE2-CE2 3.88Å; Y426-F460 HydrophobicContact CE2-CE2 3.88Å; Y426-F460 AromaticContact CZ-CD2 3.64Å; Y426-F460 AromaticContact CZ-CE2 3.98Å
427	S	95.9	Very high	90.8	Very high	64 Å²	64	60 Å²	60	45%	0.448	38%	0.382	S	S	.	.			trans	-91	79.3	-176.7	-168.1	0	0	0	0	112.3	A429 T430 D431	S427-A429 PolarHBondContact O-N 3.17Å; S427-T430 VanDerWaalsContact CB-OG1 3.31Å; S427-T430 WeakPolarHBondContact CB-OG1 3.42Å; S427-T430 PolarHBondContact O-N 3.46Å; S427-T430 PolarHBondContact O-OG1 1.81Å; S427-T430 PolarHBondContact OG-OG1 3.23Å; S427-D431 PolarHBondContact O-N 2.89Å
428	F	96.6	Very high	89.2	Confident	23 Å²	23	62 Å²	62	10%	0.101	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-50.5	-38.9	177.2	-64.1	-89	0	0	0	113.4	F399 L423 Y426 T430 D431 F460 R461 R464	F399-F428 HydrophobicContact CD1-CB 4.42Å; F399-F428 HydrophobicContact CE1-CB 3.63Å; F399-F428 AromaticContact CE1-CD1 3.82Å; F399-F428 HydrophobicContact CE1-CD1 3.82Å; F399-F428 HydrophobicContact CE1-CD2 4.02Å; F399-F428 AromaticContact CE1-CG 3.54Å; F399-F428 HydrophobicContact CE1-CG 3.54Å; F399-F428 HydrophobicContact CZ-CB 4.33Å; F399-F428 AromaticContact CZ-CD1 3.88Å; F399-F428 HydrophobicContact CZ-CD1 3.88Å; F399-F428 AromaticContact CZ-CD2 3.86Å; F399-F428 HydrophobicContact CZ-CD2 3.86Å; F399-F428 HydrophobicContact CZ-CE1 4.12Å; F399-F428 HydrophobicContact CZ-CE2 4.12Å; F399-F428 AromaticContact CZ-CG 3.75Å; F399-F428 HydrophobicContact CZ-CG 3.75Å; F399-F428 HydrophobicContact CZ-CZ 4.25Å; L423-F428 HydrophobicContact CB-CZ 4.26Å; L423-F428 HydrophobicContact CD1-CZ 4.21Å; L423-F428 HydrophobicContact CD2-CZ 4.28Å; L423-F428 HydrophobicContact CG-CZ 4.47Å; Y426-F428 AromaticContact CD1-CD1 3.78Å; Y426-F428 HydrophobicContact CD1-CD1 3.78Å; Y426-F428 AromaticContact CD1-CD2 3.83Å; Y426-F428 HydrophobicContact CD1-CD2 3.83Å; Y426-F428 AromaticContact CD1-CE1 3.73Å; Y426-F428 HydrophobicContact CD1-CE1 3.73Å; Y426-F428 AromaticContact CD1-CE2 3.77Å; Y426-F428 HydrophobicContact CD1-CE2 3.77Å; Y426-F428 AromaticContact CD1-CG 3.82Å; Y426-F428 HydrophobicContact CD1-CG 3.82Å; Y426-F428 AromaticContact CD1-CZ 3.71Å; Y426-F428 HydrophobicContact CD1-CZ 3.71Å; Y426-F428 AromaticContact CE1-CD1 3.83Å; Y426-F428 HydrophobicContact CE1-CD1 3.83Å; Y426-F428 AromaticContact CE1-CE1 3.98Å; Y426-F428 HydrophobicContact CE1-CE1 3.98Å; Y426-F428 HydrophobicContact CE1-CG 4.15Å; Y426-F428 HydrophobicContact CE1-CZ 4.43Å; Y426-F428 WeakPolarHBondContact O-CD2 3.25Å; Y426-F428 PolarHBondContact O-N 2.9Å; F428-T430 PolarHBondContact O-N 3.11Å; F428-D431 VanDerWaalsContact O-OD1 3.11Å; F428-F460 HydrophobicContact CE1-CB 4.12Å; F428-R461 HydrophobicContact CD1-CG 3.91Å; F428-R461 HydrophobicContact CE1-CG 4.11Å; F428-R461 PolarHBondContact O-NH2 3.09Å; F428-R464 HydrophobicContact CE1-CB 4.23Å; F428-R464 HydrophobicContact CE2-CB 4.42Å; F428-R464 HydrophobicContact CE2-CG 3.99Å; F428-R464 HydrophobicContact CZ-CB 3.69Å; F428-R464 HydrophobicContact CZ-CG 3.77Å
429	A	94.3	Very high	87.3	Confident	102 Å²	102	62.5 Å²	62.5	84%	0.843	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-69.2	-11.6	-179.1	0	0	0	0	0	114.6	S427	S427-A429 PolarHBondContact O-N 3.17Å
430	T	94.4	Very high	85.4	Confident	111 Å²	111	60.3 Å²	60.3	68%	0.681	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-127.6	5.8	-179	63.4	0	0	0	0	113.8	S427 F428 G432	S427-T430 VanDerWaalsContact CB-OG1 3.31Å; S427-T430 WeakPolarHBondContact CB-OG1 3.42Å; S427-T430 PolarHBondContact O-N 3.46Å; S427-T430 PolarHBondContact O-OG1 1.81Å; S427-T430 PolarHBondContact OG-OG1 3.23Å; F428-T430 PolarHBondContact O-N 3.11Å; T430-G432 PolarHBondContact O-N 3.03Å
431	D	94.1	Very high	83.2	Confident	28 Å²	28	64.7 Å²	64.7	15%	0.15	41%	0.41	C	S	.	.	S	Bend	trans	-72.8	-11.6	-177.4	78.1	-9.9	0	0	0	114.6	Y426 S427 F428 F433 K457 R461	Y426-D431 HydrophobicContact CE1-CB 4.04Å; Y426-D431 VanDerWaalsContact OH-CB 3.3Å; Y426-D431 WeakPolarHBondContact OH-CB 3.44Å; Y426-D431 PolarHBondContact OH-OD2 2.83Å; Y426-D431 VanDerWaalsContact OH-OD2 3.1Å; S427-D431 PolarHBondContact O-N 2.89Å; F428-D431 VanDerWaalsContact O-OD1 3.11Å; D431-F433 VanDerWaalsContact OD1-CB 3.25Å; D431-F433 WeakPolarHBondContact OD1-CB 3.48Å; D431-F433 PolarHBondContact OD1-N 3.18Å; D431-K457 WeakPolarHBondContact O-CE 3.22Å; D431-K457 PolarHBondContact O-NZ 3.23Å; D431-R461 IonicContact OD1-CZ 3.2Å; D431-R461 IonicContact OD1-NH1 2.7Å; D431-R461 IonicContact OD1-NH2 3.69Å; D431-R461 PolarHBondContact OD1-NH2 2.9Å; D431-R461 IonicContact OD2-CZ 3.89Å; D431-R461 IonicContact OD2-NH1 2.79Å; D431-R461 PolarHBondContact OD2-NH1 3.23Å; D431-R461 IonicContact OD2-NH2 3.73Å; D431-R461 PolarHBondContact OD2-NH2 2.92Å
432	G	91.9	Very high	80.9	Confident	36 Å²	36	67.1 Å²	67.1	37%	0.371	42%	0.424	S	S	.	.			trans	74.1	26.9	179.7	0	0	0	0	0	114.1	T430 H434 A435 A436	T430-G432 PolarHBondContact O-N 3.03Å; G432-H434 PolarHBondContact O-N 3.08Å; G432-A435 PolarHBondContact O-N 3.01Å; G432-A435 VanDerWaalsContact O-N 3.14Å; G432-A436 PolarHBondContact O-N 3.09Å
433	F	92.2	Very high	78.4	Confident	6 Å²	6	68.5 Å²	68.5	3%	0.026	44%	0.44	C	S	.	.	H	α-helix	trans	-48	-52.5	178.8	179.6	-108.6	0	0	0	114	D402 D431 A435 A436 A437 W454 K457 L458 R461	D402-F433 HydrophobicContact CB-CD1 4.02Å; D402-F433 HydrophobicContact CB-CE1 3.97Å; D402-F433 VanDerWaalsContact O-CE1 3.3Å; D402-F433 WeakPolarHBondContact O-CE1 3.39Å; D431-F433 VanDerWaalsContact OD1-CB 3.25Å; D431-F433 WeakPolarHBondContact OD1-CB 3.48Å; D431-F433 PolarHBondContact OD1-N 3.18Å; F433-A435 VanDerWaalsContact C-N 3.35Å; F433-A435 PolarHBondContact O-N 3.37Å; F433-A436 CarbonylContact O-C 3.58Å; F433-A436 WeakPolarHBondContact O-CA 3.31Å; F433-A436 WeakPolarHBondContact O-CB 3.22Å; F433-A436 PolarHBondContact O-N 3.33Å; F433-A436 VanDerWaalsContact O-N 3.09Å; F433-A437 PolarHBondContact O-N 3.09Å; F433-W454 AromaticContact CD2-CD1 3.67Å; F433-W454 AromaticContact CD2-NE1 3.68Å; F433-W454 AromaticContact CE1-NE1 3.89Å; F433-W454 AromaticContact CE2-CD1 3.51Å; F433-W454 HydrophobicContact CE2-CD2 4.37Å; F433-W454 AromaticContact CE2-CE2 3.74Å; F433-W454 HydrophobicContact CE2-CG 4.25Å; F433-W454 HydrophobicContact CE2-CZ2 4.35Å; F433-W454 AromaticContact CE2-NE1 3.13Å; F433-W454 AromaticContact CZ-CE2 3.76Å; F433-W454 AromaticContact CZ-CZ2 3.98Å; F433-W454 HydrophobicContact CZ-CZ2 3.98Å; F433-W454 AromaticContact CZ-NE1 3.25Å; F433-W454 VanDerWaalsContact CZ-NE1 3.25Å; F433-K457 HydrophobicContact CD2-CB 3.61Å; F433-K457 HydrophobicContact CE2-CB 4.22Å; F433-L458 HydrophobicContact CE2-CB 4.06Å; F433-L458 HydrophobicContact CZ-CD1 4.17Å; F433-R461 VanDerWaalsContact CB-NH2 3.28Å
434	H	85.8	Confident	76	Confident	113 Å²	113	73 Å²	73	52%	0.523	46%	0.464	S	S	.	.	H	α-helix	trans	-60.7	-39.3	177.9	-67.6	-69.9	0	0	0	113.2	N401 D402 G432 A436 A437 S438	N401-H434 PolarHBondContact O-CE1 3.01Å; D402-H434 WeakPolarHBondContact CA-CE1 3.47Å; D402-H434 IonicContact OD1-CD2 3.35Å; D402-H434 IonicContact OD1-CE1 3.1Å; D402-H434 CovalentContact OD1-NE2 1.8Å; D402-H434 IonicContact OD1-NE2 3.62Å; D402-H434 PolarHBondContact OD1-NE2 2.97Å; D402-H434 IonicContact OD2-NE2 2.69Å; G432-H434 PolarHBondContact O-N 3.08Å; H434-A436 VanDerWaalsContact C-N 3.32Å; H434-A436 PolarHBondContact O-N 3.06Å; H434-A437 WeakPolarHBondContact O-CB 3.4Å; H434-A437 PolarHBondContact O-N 3.3Å; H434-S438 PolarHBondContact O-N 2.82Å; H434-S438 PolarHBondContact O-OG 3.49Å
435	A	76.3	Confident	73.5	Confident	67 Å²	67	75.4 Å²	75.4	55%	0.554	48%	0.478	S	S	*	.	H	α-helix	trans	-68.1	-31.9	175.4	0	0	0	0	0	112.6	G432 F433 S439	G432-A435 PolarHBondContact O-N 3.01Å; G432-A435 VanDerWaalsContact O-N 3.14Å; F433-A435 VanDerWaalsContact C-N 3.35Å; F433-A435 PolarHBondContact O-N 3.37Å; A435-S439 WeakPolarHBondContact O-CB 2.84Å; A435-S439 PolarHBondContact O-N 2.77Å; A435-S439 PolarHBondContact O-OG 2.86Å
436	A	64.9	Low	71.3	Confident	10 Å²	10	76 Å²	76	8%	0.083	48%	0.481	C	S	.	.	H	α-helix	trans	-71.3	-32.8	171.5	0	0	0	0	0	111.9	G432 F433 H434 S439 A440 W454	G432-A436 PolarHBondContact O-N 3.09Å; F433-A436 CarbonylContact O-C 3.58Å; F433-A436 WeakPolarHBondContact O-CA 3.31Å; F433-A436 WeakPolarHBondContact O-CB 3.22Å; F433-A436 PolarHBondContact O-N 3.33Å; F433-A436 VanDerWaalsContact O-N 3.09Å; H434-A436 VanDerWaalsContact C-N 3.32Å; H434-A436 PolarHBondContact O-N 3.06Å; A436-S439 WeakPolarHBondContact CA-OG 3.5Å; A436-S439 PolarHBondContact O-OG 2.67Å; A436-A440 WeakPolarHBondContact O-CB 3.28Å; A436-A440 PolarHBondContact O-N 3.18Å; A436-W454 HydrophobicContact CB-CB 3.96Å; A436-W454 HydrophobicContact CB-CG 4.44Å
437	A	66.2	Low	68.8	Low	29 Å²	29	75.4 Å²	75.4	24%	0.24	49%	0.491	C	S	.	.	H	α-helix	trans	-64.2	-53	173.9	0	0	0	0	0	111.4	F433 H434 S439 A440	F433-A437 PolarHBondContact O-N 3.09Å; H434-A437 WeakPolarHBondContact O-CB 3.4Å; H434-A437 PolarHBondContact O-N 3.3Å; A437-S439 PolarHBondContact O-N 3.2Å; A437-A440 WeakPolarHBondContact O-CB 3.4Å; A437-A440 PolarHBondContact O-N 2.9Å; A437-A440 VanDerWaalsContact O-N 3.09Å
438	S	62.5	Low	66.8	Low	95 Å²	95	79 Å²	79	66%	0.664	51%	0.51	S	S	*	.	H	α-helix	trans	-61.4	-29.6	179.4	-47.6	0	0	0	0	113.1	H434	H434-S438 PolarHBondContact O-N 2.82Å; H434-S438 PolarHBondContact O-OG 3.49Å
439	S	55.5	Low	65	Low	42 Å²	42	87.9 Å²	87.9	29%	0.294	54%	0.543	S	S	.	.	H	α-helix	trans	-90.3	-10.5	177.4	56.4	0	0	0	0	114.6	A435 A436 A437 N441 L442	A435-S439 WeakPolarHBondContact O-CB 2.84Å; A435-S439 PolarHBondContact O-N 2.77Å; A435-S439 PolarHBondContact O-OG 2.86Å; A436-S439 WeakPolarHBondContact CA-OG 3.5Å; A436-S439 PolarHBondContact O-OG 2.67Å; A437-S439 PolarHBondContact O-N 3.2Å; S439-N441 PolarHBondContact O-N 3.06Å; S439-L442 PolarHBondContact O-N 3.44Å; S439-L442 VanDerWaalsContact O-N 3.09Å
440	A	55.1	Low	63.8	Low	45 Å²	45	84.2 Å²	84.2	37%	0.372	52%	0.515	S	S	.	.	H	α-helix	trans	-62.3	-29.5	173	0	0	0	0	0	112.4	A436 A437 L442	A436-A440 WeakPolarHBondContact O-CB 3.28Å; A436-A440 PolarHBondContact O-N 3.18Å; A437-A440 WeakPolarHBondContact O-CB 3.4Å; A437-A440 PolarHBondContact O-N 2.9Å; A437-A440 VanDerWaalsContact O-N 3.09Å; A440-L442 VanDerWaalsContact C-N 3.34Å
441	N	50.1	Low	63.3	Low	152 Å²	152	80.3 Å²	80.3	81%	0.813	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-7	176	-71.2	-38.1	0	0	0	114.3	S439	S439-N441 PolarHBondContact O-N 3.06Å
442	L	46.5	Very low	62.9	Low	119 Å²	119	82.6 Å²	82.6	62%	0.623	51%	0.512	S	S	*	.			trans	-119.4	108.2	-172.7	-158	75.4	0	0	0	112.2	S439 A440 L444	S439-L442 PolarHBondContact O-N 3.44Å; S439-L442 VanDerWaalsContact O-N 3.09Å; A440-L442 VanDerWaalsContact C-N 3.34Å; L442-L444 VanDerWaalsContact C-N 3.29Å; L442-L444 PolarHBondContact O-N 3.28Å
443	C	44.1	Very low	62.8	Low	132 Å²	132	83.8 Å²	83.8	89%	0.892	51%	0.509	S	S	*	.			trans	-70.2	81.5	175.1	-68.4	0	0	0	0	111.4
444	L	43.9	Very low	62.9	Low	99 Å²	99	85.8 Å²	85.8	52%	0.518	52%	0.517	S	S	.	.			trans	-59.6	146.6	174.2	-78.9	159.2	0	0	0	111.4	L442 T446 G447	L442-L444 VanDerWaalsContact C-N 3.29Å; L442-L444 PolarHBondContact O-N 3.28Å; L444-T446 PolarHBondContact O-N 3.29Å; L444-G447 PolarHBondContact O-N 3.2Å
445	P	41.2	Very low	63.3	Low	132 Å²	132	82.9 Å²	82.9	86%	0.857	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-14.1	-174.1	-26.1	35.2	0	0	0	115.8
446	T	48.3	Very low	64.3	Low	138 Å²	138	82.8 Å²	82.8	85%	0.847	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	22.8	-179.5	45.6	0	0	0	0	114.2	L444	L444-T446 PolarHBondContact O-N 3.29Å
447	G	46.1	Very low	65.8	Low	41 Å²	41	83.4 Å²	83.4	42%	0.423	49%	0.49	S	S	.	.			trans	116.2	176.5	140.3	0	0	0	0	0	118.9	L444 R449	L444-G447 PolarHBondContact O-N 3.2Å; G447-R449 PolarHBondContact O-N 3.15Å
448	V	52.3	Low	67.3	Low	138 Å²	138	82.1 Å²	82.1	84%	0.836	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	30.1	-164.4	-152.5	0	0	0	0	114.6	V452	V448-V452 WeakPolarHBondContact O-CG2 3.44Å
449	R	58.9	Low	69	Low	211 Å²	211	77.7 Å²	77.7	80%	0.796	45%	0.448	S	S	*	.	H	α-helix	trans	-87.4	-28.6	-172.9	-75.3	-175.9	176.2	-98	2.7	114.7	G447 V452 D453	G447-R449 PolarHBondContact O-N 3.15Å; R449-V452 PolarHBondContact O-N 2.98Å; R449-D453 PolarHBondContact O-N 3.13Å
450	G	68.9	Low	71	Confident	25 Å²	25	75.9 Å²	75.9	26%	0.258	44%	0.435	S	S	.	.	H	α-helix	trans	-55.5	-59.8	-174.6	0	0	0	0	0	113.2	V452 D453 W454	G450-V452 VanDerWaalsContact C-N 3.34Å; G450-V452 PolarHBondContact O-N 2.65Å; G450-D453 PolarHBondContact O-N 3.41Å; G450-W454 WeakPolarHBondContact O-CB 3.38Å; G450-W454 PolarHBondContact O-N 2.94Å
451	G	83.7	Confident	73.1	Confident	29 Å²	29	73.9 Å²	73.9	30%	0.299	42%	0.418	S	S	.	.	H	α-helix	trans	-61.1	-35.6	178.9	0	0	0	0	0	114.4	W454 M455	G451-W454 PolarHBondContact O-N 3Å; G451-M455 WeakPolarHBondContact O-CB 3.24Å; G451-M455 VanDerWaalsContact O-CG 3.28Å; G451-M455 WeakPolarHBondContact O-CG 3.36Å; G451-M455 PolarHBondContact O-N 3.21Å
452	V	87.6	Confident	75.4	Confident	76 Å²	76	66.7 Å²	66.7	46%	0.461	38%	0.38	S	S	.	.	H	α-helix	trans	-71.5	-33	179.1	-177.8	0	0	0	0	111.6	V448 R449 G450 R456	V448-V452 WeakPolarHBondContact O-CG2 3.44Å; R449-V452 PolarHBondContact O-N 2.98Å; G450-V452 VanDerWaalsContact C-N 3.34Å; G450-V452 PolarHBondContact O-N 2.65Å; V452-R456 PolarHBondContact O-N 2.74Å
453	D	89.2	Confident	77.9	Confident	60 Å²	60	63.8 Å²	63.8	32%	0.321	36%	0.361	S	S	.	.	H	α-helix	trans	-75.6	-38.3	174	-161.2	62.4	0	0	0	112	R449 G450 R456 K457	R449-D453 PolarHBondContact O-N 3.13Å; G450-D453 PolarHBondContact O-N 3.41Å; D453-R456 PolarHBondContact O-N 2.87Å; D453-R456 IonicContact OD1-NH1 2.76Å; D453-R456 PolarHBondContact OD1-NH1 3Å; D453-K457 WeakPolarHBondContact O-CG 3.47Å; D453-K457 PolarHBondContact O-N 3.27Å; D453-K457 VanDerWaalsContact O-N 3.11Å; D453-K457 WeakPolarHBondContact OD2-CE 3.48Å; D453-K457 IonicContact OD2-NZ 3.84Å; D453-K457 PolarHBondContact OD2-NZ 3.19Å
454	W	93.4	Very high	80.5	Confident	49 Å²	49	61.1 Å²	61.1	19%	0.186	33%	0.332	C	S	.	.	H	α-helix	trans	-61.3	-48	172.8	-177.7	78.7	0	0	0	112.4	C406 F433 A436 G450 G451 R456 K457 L458	C406-W454 HydrophobicContact CB-CH2 3.81Å; C406-W454 HydrophobicContact CB-CZ2 3.79Å; F433-W454 AromaticContact CD2-CD1 3.67Å; F433-W454 AromaticContact CD2-NE1 3.68Å; F433-W454 AromaticContact CE1-NE1 3.89Å; F433-W454 AromaticContact CE2-CD1 3.51Å; F433-W454 HydrophobicContact CE2-CD2 4.37Å; F433-W454 AromaticContact CE2-CE2 3.74Å; F433-W454 HydrophobicContact CE2-CG 4.25Å; F433-W454 HydrophobicContact CE2-CZ2 4.35Å; F433-W454 AromaticContact CE2-NE1 3.13Å; F433-W454 AromaticContact CZ-CE2 3.76Å; F433-W454 AromaticContact CZ-CZ2 3.98Å; F433-W454 HydrophobicContact CZ-CZ2 3.98Å; F433-W454 AromaticContact CZ-NE1 3.25Å; F433-W454 VanDerWaalsContact CZ-NE1 3.25Å; A436-W454 HydrophobicContact CB-CB 3.96Å; A436-W454 HydrophobicContact CB-CG 4.44Å; G450-W454 WeakPolarHBondContact O-CB 3.38Å; G450-W454 PolarHBondContact O-N 2.94Å; G451-W454 PolarHBondContact O-N 3Å; W454-R456 VanDerWaalsContact C-N 3.28Å; W454-R456 PolarHBondContact O-N 2.79Å; W454-K457 PolarHBondContact O-N 3.49Å; W454-K457 VanDerWaalsContact O-N 3.07Å; W454-L458 HydrophobicContact CH2-CD2 3.7Å; W454-L458 HydrophobicContact CZ2-CD2 4.29Å; W454-L458 HydrophobicContact CZ3-CD2 3.85Å; W454-L458 PolarHBondContact O-N 2.52Å
455	M	95.7	Very high	83.1	Confident	51 Å²	51	56.4 Å²	56.4	25%	0.251	31%	0.307	S	S	.	.	H	α-helix	trans	-57.2	-38.8	176.3	-77.9	-62.6	-58.5	0	0	112.6	V414 D417 G451 L458 A459	V414-M455 HydrophobicContact CB-CE 4.36Å; V414-M455 HydrophobicContact CG1-CE 4.01Å; D417-M455 HydrophobicContact CB-CB 3.93Å; G451-M455 WeakPolarHBondContact O-CB 3.24Å; G451-M455 VanDerWaalsContact O-CG 3.28Å; G451-M455 WeakPolarHBondContact O-CG 3.36Å; G451-M455 PolarHBondContact O-N 3.21Å; M455-L458 WeakPolarHBondContact O-CB 3.36Å; M455-L458 PolarHBondContact O-N 2.82Å; M455-L458 HydrophobicContact SD-CD2 4.29Å; M455-A459 WeakPolarHBondContact O-CB 3.45Å; M455-A459 PolarHBondContact O-N 3.22Å
456	R	95.6	Very high	85.8	Confident	66 Å²	66	52 Å²	52	25%	0.249	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-42.9	174.6	-173.6	-178.7	-47.2	99.2	20.1	112.2	D417 V452 D453 W454 L458 A459 F460	D417-R456 WeakPolarHBondContact O-CB 3.44Å; D417-R456 WeakPolarHBondContact O-CG 3.35Å; V452-R456 PolarHBondContact O-N 2.74Å; D453-R456 PolarHBondContact O-N 2.87Å; D453-R456 IonicContact OD1-NH1 2.76Å; D453-R456 PolarHBondContact OD1-NH1 3Å; W454-R456 VanDerWaalsContact C-N 3.28Å; W454-R456 PolarHBondContact O-N 2.79Å; R456-L458 VanDerWaalsContact C-N 3.3Å; R456-L458 PolarHBondContact O-N 2.73Å; R456-A459 PolarHBondContact O-N 2.82Å; R456-F460 VanDerWaalsContact CD-CZ 3.44Å; R456-F460 HydrophobicContact CG-CD1 4.3Å; R456-F460 HydrophobicContact CG-CD2 4.37Å; R456-F460 HydrophobicContact CG-CE1 3.67Å; R456-F460 HydrophobicContact CG-CE2 3.76Å; R456-F460 HydrophobicContact CG-CZ 3.38Å; R456-F460 WeakPolarHBondContact O-CD1 3.41Å; R456-F460 WeakPolarHBondContact O-CG 3.44Å; R456-F460 PolarHBondContact O-N 2.94Å
457	K	96.9	Very high	88.2	Confident	23 Å²	23	48 Å²	48	10%	0.1	25%	0.246	C	C	.	.	H	α-helix	trans	-67.7	-29.6	177.6	-71.3	166.8	169.4	163.8	0	113	D431 F433 D453 W454 R461	D431-K457 WeakPolarHBondContact O-CE 3.22Å; D431-K457 PolarHBondContact O-NZ 3.23Å; F433-K457 HydrophobicContact CD2-CB 3.61Å; F433-K457 HydrophobicContact CE2-CB 4.22Å; D453-K457 WeakPolarHBondContact O-CG 3.47Å; D453-K457 PolarHBondContact O-N 3.27Å; D453-K457 VanDerWaalsContact O-N 3.11Å; D453-K457 WeakPolarHBondContact OD2-CE 3.48Å; D453-K457 IonicContact OD2-NZ 3.84Å; D453-K457 PolarHBondContact OD2-NZ 3.19Å; W454-K457 PolarHBondContact O-N 3.49Å; W454-K457 VanDerWaalsContact O-N 3.07Å; K457-R461 WeakPolarHBondContact O-CG 3.43Å; K457-R461 PolarHBondContact O-N 3.16Å; K457-R461 PolarHBondContact O-NH1 3.38Å; K457-R461 VanDerWaalsContact O-NH1 3.16Å
458	L	97.6	Very high	90.7	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-67.1	-48.4	169.4	-177.7	59.3	0	0	0	110.7	L403 C406 V414 F433 W454 M455 R456 F460 R461 Y462	L403-L458 HydrophobicContact CD2-CD1 3.47Å; L403-L458 VanDerWaalsContact CD2-CD1 3.47Å; C406-L458 HydrophobicContact CB-CD1 4.31Å; C406-L458 WeakPolarHBondContact SG-CD1 3.44Å; V414-L458 HydrophobicContact CG1-CD2 3.92Å; V414-L458 HydrophobicContact CG1-CG 4.3Å; V414-L458 HydrophobicContact CG2-CG 4.39Å; F433-L458 HydrophobicContact CE2-CB 4.06Å; F433-L458 HydrophobicContact CZ-CD1 4.17Å; W454-L458 HydrophobicContact CH2-CD2 3.7Å; W454-L458 HydrophobicContact CZ2-CD2 4.29Å; W454-L458 HydrophobicContact CZ3-CD2 3.85Å; W454-L458 PolarHBondContact O-N 2.52Å; M455-L458 WeakPolarHBondContact O-CB 3.36Å; M455-L458 PolarHBondContact O-N 2.82Å; M455-L458 HydrophobicContact SD-CD2 4.29Å; R456-L458 VanDerWaalsContact C-N 3.3Å; R456-L458 PolarHBondContact O-N 2.73Å; L458-F460 VanDerWaalsContact C-N 3.35Å; L458-F460 PolarHBondContact O-N 3.34Å; L458-R461 PolarHBondContact O-N 3.47Å; L458-R461 VanDerWaalsContact O-N 3.16Å; L458-Y462 HydrophobicContact CD1-CD2 3.94Å; L458-Y462 HydrophobicContact CD1-CE2 3.68Å; L458-Y462 HydrophobicContact CG-CD2 4.24Å; L458-Y462 HydrophobicContact CG-CE2 4.3Å; L458-Y462 PolarHBondContact O-N 3.49Å; L458-Y462 VanDerWaalsContact O-N 3.1Å
459	A	98.2	Very high	92.9	Very high	2 Å²	2	40.5 Å²	40.5	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-42	176.5	0	0	0	0	0	112.6	V414 D418 M455 R456 R461 Y462 R463	V414-A459 HydrophobicContact CB-CB 4.45Å; V414-A459 HydrophobicContact CG2-CB 4.21Å; V414-A459 VanDerWaalsContact O-CB 3.31Å; V414-A459 WeakPolarHBondContact O-CB 3.47Å; D418-A459 HydrophobicContact CB-CB 3.91Å; M455-A459 WeakPolarHBondContact O-CB 3.45Å; M455-A459 PolarHBondContact O-N 3.22Å; R456-A459 PolarHBondContact O-N 2.82Å; A459-R461 VanDerWaalsContact C-N 3.33Å; A459-R461 PolarHBondContact O-N 3.46Å; A459-Y462 PolarHBondContact O-N 3.01Å; A459-R463 WeakPolarHBondContact O-CB 3.49Å; A459-R463 PolarHBondContact O-N 3.04Å
460	F	98.3	Very high	94.8	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.022	17%	0.169	C	C	.	.	H	α-helix	trans	-58.8	-40.2	173.9	-66.1	-19.5	0	0	0	113	D418 N419 Q421 L423 Y426 F428 R456 L458 R464	D418-F460 WeakPolarHBondContact OD1-CE1 3.46Å; N419-F460 VanDerWaalsContact OD1-CE1 3.25Å; N419-F460 WeakPolarHBondContact OD1-CE1 3.3Å; N419-F460 WeakPolarHBondContact OD1-CZ 3.49Å; Q421-F460 HydrophobicContact CG-CE1 3.88Å; Q421-F460 HydrophobicContact CG-CE2 4.5Å; Q421-F460 HydrophobicContact CG-CZ 3.72Å; Q421-F460 VanDerWaalsContact NE2-CE2 3.27Å; Q421-F460 VanDerWaalsContact NE2-CZ 3.26Å; L423-F460 HydrophobicContact CD1-CB 4.14Å; L423-F460 WeakPolarHBondContact CD1-O 3.4Å; L423-F460 HydrophobicContact CD2-CB 3.98Å; L423-F460 HydrophobicContact CD2-CD1 4Å; L423-F460 HydrophobicContact CD2-CD2 4.19Å; L423-F460 HydrophobicContact CD2-CG 3.82Å; Y426-F460 HydrophobicContact CE1-CD2 4.08Å; Y426-F460 AromaticContact CE2-CD2 3.95Å; Y426-F460 HydrophobicContact CE2-CD2 3.95Å; Y426-F460 AromaticContact CE2-CE2 3.88Å; Y426-F460 HydrophobicContact CE2-CE2 3.88Å; Y426-F460 AromaticContact CZ-CD2 3.64Å; Y426-F460 AromaticContact CZ-CE2 3.98Å; F428-F460 HydrophobicContact CE1-CB 4.12Å; R456-F460 VanDerWaalsContact CD-CZ 3.44Å; R456-F460 HydrophobicContact CG-CD1 4.3Å; R456-F460 HydrophobicContact CG-CD2 4.37Å; R456-F460 HydrophobicContact CG-CE1 3.67Å; R456-F460 HydrophobicContact CG-CE2 3.76Å; R456-F460 HydrophobicContact CG-CZ 3.38Å; R456-F460 WeakPolarHBondContact O-CD1 3.41Å; R456-F460 WeakPolarHBondContact O-CG 3.44Å; R456-F460 PolarHBondContact O-N 2.94Å; L458-F460 VanDerWaalsContact C-N 3.35Å; L458-F460 PolarHBondContact O-N 3.34Å; F460-R464 VanDerWaalsContact O-CB 3.26Å; F460-R464 WeakPolarHBondContact O-CB 3.48Å; F460-R464 PolarHBondContact O-N 2.98Å
461	R	98.4	Very high	96.2	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-48.4	177.1	-75.9	166.8	171.2	67.6	2.6	111.1	F399 D402 L403 F428 D431 F433 K457 L458 A459 R463 R464 V465	F399-R461 HydrophobicContact CB-CG 4.48Å; F399-R461 HydrophobicContact CD1-CG 4.43Å; F399-R461 HydrophobicContact CD2-CB 4.35Å; F399-R461 HydrophobicContact CD2-CG 4.38Å; F399-R461 HydrophobicContact CG-CG 4.19Å; D402-R461 IonicContact OD2-CZ 3.98Å; D402-R461 IonicContact OD2-NE 3.34Å; D402-R461 PolarHBondContact OD2-NE 2.82Å; D402-R461 IonicContact OD2-NH2 3.43Å; D402-R461 PolarHBondContact OD2-NH2 3.3Å; L403-R461 HydrophobicContact CD1-CB 4.22Å; L403-R461 HydrophobicContact CD2-CB 3.99Å; L403-R461 HydrophobicContact CG-CB 4.46Å; F428-R461 HydrophobicContact CD1-CG 3.91Å; F428-R461 HydrophobicContact CE1-CG 4.11Å; F428-R461 PolarHBondContact O-NH2 3.09Å; D431-R461 IonicContact OD1-CZ 3.2Å; D431-R461 IonicContact OD1-NH1 2.7Å; D431-R461 IonicContact OD1-NH2 3.69Å; D431-R461 PolarHBondContact OD1-NH2 2.9Å; D431-R461 IonicContact OD2-CZ 3.89Å; D431-R461 IonicContact OD2-NH1 2.79Å; D431-R461 PolarHBondContact OD2-NH1 3.23Å; D431-R461 IonicContact OD2-NH2 3.73Å; D431-R461 PolarHBondContact OD2-NH2 2.92Å; F433-R461 VanDerWaalsContact CB-NH2 3.28Å; K457-R461 WeakPolarHBondContact O-CG 3.43Å; K457-R461 PolarHBondContact O-N 3.16Å; K457-R461 PolarHBondContact O-NH1 3.38Å; K457-R461 VanDerWaalsContact O-NH1 3.16Å; L458-R461 PolarHBondContact O-N 3.47Å; L458-R461 VanDerWaalsContact O-N 3.16Å; A459-R461 VanDerWaalsContact C-N 3.33Å; A459-R461 PolarHBondContact O-N 3.46Å; R461-R463 PolarHBondContact O-N 2.84Å; R461-R464 PolarHBondContact O-N 3.42Å; R461-R464 VanDerWaalsContact O-N 3.15Å; R461-V465 WeakPolarHBondContact O-CG2 3.28Å; R461-V465 PolarHBondContact O-N 3.07Å
462	Y	98.7	Very high	96.9	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-65.1	-39	177.4	-82.3	-68.6	0	0	0	113.3	L403 D407 Q408 I411 V414 L458 A459 R464 V465 K466 L529 I530	L403-Y462 HydrophobicContact CD1-CD1 4.46Å; L403-Y462 HydrophobicContact CD1-CE1 4.12Å; L403-Y462 HydrophobicContact CD1-CE2 4.21Å; L403-Y462 HydrophobicContact CD2-CD2 4.26Å; L403-Y462 HydrophobicContact CD2-CE2 3.76Å; D407-Y462 WeakPolarHBondContact CA-OH 3.4Å; D407-Y462 PolarHBondContact OD1-OH 3.38Å; Q408-Y462 HydrophobicContact CB-CE1 4.3Å; Q408-Y462 HydrophobicContact CB-CE2 4.16Å; Q408-Y462 HydrophobicContact CG-CD2 4.06Å; Q408-Y462 HydrophobicContact CG-CE1 4.37Å; Q408-Y462 HydrophobicContact CG-CE2 3.36Å; Q408-Y462 PolarHBondContact N-OH 2.85Å; I411-Y462 HydrophobicContact CD1-CD1 3.93Å; I411-Y462 WeakPolarHBondContact CD1-O 3.38Å; V414-Y462 HydrophobicContact CG2-CD2 3.79Å; V414-Y462 HydrophobicContact CG2-CG 4.28Å; L458-Y462 HydrophobicContact CD1-CD2 3.94Å; L458-Y462 HydrophobicContact CD1-CE2 3.68Å; L458-Y462 HydrophobicContact CG-CD2 4.24Å; L458-Y462 HydrophobicContact CG-CE2 4.3Å; L458-Y462 PolarHBondContact O-N 3.49Å; L458-Y462 VanDerWaalsContact O-N 3.1Å; A459-Y462 PolarHBondContact O-N 3.01Å; Y462-R464 VanDerWaalsContact C-N 3.35Å; Y462-R464 PolarHBondContact O-N 2.87Å; Y462-V465 WeakPolarHBondContact O-CB 3.42Å; Y462-V465 PolarHBondContact O-N 3.16Å; Y462-K466 WeakPolarHBondContact O-CB 3.26Å; Y462-K466 PolarHBondContact O-N 3.38Å; Y462-L529 HydrophobicContact CE1-CD2 4.09Å; Y462-I530 HydrophobicContact CD1-CD1 4.22Å; Y462-I530 HydrophobicContact CE1-CD1 3.67Å; Y462-I530 HydrophobicContact CE1-CG1 4.11Å
463	R	98.4	Very high	97.3	Very high	58 Å²	58	37.2 Å²	37.2	22%	0.219	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-39	170.8	178.8	162.3	55.1	96.3	-13.4	111.9	D418 Q421 L423 A459 R461 K466 E467	D418-R463 IonicContact OD1-CZ 2.68Å; D418-R463 IonicContact OD1-NE 2.74Å; D418-R463 IonicContact OD1-NH2 3.11Å; D418-R463 PolarHBondContact OD1-NH2 2.95Å; D418-R463 IonicContact OD2-CZ 2.79Å; D418-R463 IonicContact OD2-NE 2.55Å; D418-R463 PolarHBondContact OD2-NE 3.34Å; D418-R463 IonicContact OD2-NH2 2.85Å; D418-R463 PolarHBondContact OD2-NH2 3.34Å; Q421-R463 VanDerWaalsContact O-CZ 3.3Å; Q421-R463 PolarHBondContact O-NH1 2.76Å; Q421-R463 PolarHBondContact O-NH2 2.87Å; L423-R463 HydrophobicContact CD1-CB 4.44Å; L423-R463 HydrophobicContact CD1-CG 4.42Å; L423-R463 VanDerWaalsContact CD1-CZ 3.49Å; A459-R463 WeakPolarHBondContact O-CB 3.49Å; A459-R463 PolarHBondContact O-N 3.04Å; R461-R463 PolarHBondContact O-N 2.84Å; R463-K466 CarbonylContact O-C 3.56Å; R463-K466 WeakPolarHBondContact O-CA 3.45Å; R463-K466 VanDerWaalsContact O-CB 3.27Å; R463-K466 WeakPolarHBondContact O-CB 3.35Å; R463-K466 PolarHBondContact O-N 3.32Å; R463-K466 VanDerWaalsContact O-N 3.09Å; R463-E467 HydrophobicContact CG-CG 4.48Å; R463-E467 IonicContact NH1-OE1 2.6Å; R463-E467 PolarHBondContact NH1-OE1 3.45Å; R463-E467 WeakPolarHBondContact O-CG 3.36Å; R463-E467 PolarHBondContact O-N 2.7Å
464	R	98.4	Very high	97.7	Very high	75 Å²	75	40.7 Å²	40.7	28%	0.283	19%	0.189	S	C	.	.	H	α-helix	trans	-67	-37.2	176.7	-172.8	57.2	-178.7	163.2	3.9	112.5	F399 L423 F428 F460 R461 Y462 K466 E467 L468	F399-R464 HydrophobicContact CE2-CB 3.93Å; F399-R464 HydrophobicContact CE2-CG 3.73Å; F399-R464 HydrophobicContact CZ-CB 4.41Å; F399-R464 HydrophobicContact CZ-CG 3.93Å; L423-R464 HydrophobicContact CD1-CB 4.26Å; F428-R464 HydrophobicContact CE1-CB 4.23Å; F428-R464 HydrophobicContact CE2-CB 4.42Å; F428-R464 HydrophobicContact CE2-CG 3.99Å; F428-R464 HydrophobicContact CZ-CB 3.69Å; F428-R464 HydrophobicContact CZ-CG 3.77Å; F460-R464 VanDerWaalsContact O-CB 3.26Å; F460-R464 WeakPolarHBondContact O-CB 3.48Å; F460-R464 PolarHBondContact O-N 2.98Å; R461-R464 PolarHBondContact O-N 3.42Å; R461-R464 VanDerWaalsContact O-N 3.15Å; Y462-R464 VanDerWaalsContact C-N 3.35Å; Y462-R464 PolarHBondContact O-N 2.87Å; R464-K466 VanDerWaalsContact C-N 3.3Å; R464-E467 WeakPolarHBondContact CD-OE2 3.41Å; R464-E467 IonicContact CZ-OE2 3.18Å; R464-E467 IonicContact NE-OE2 1.8Å; R464-E467 IonicContact NH1-OE2 2.81Å; R464-E467 PolarHBondContact NH1-OE2 3.09Å; R464-E467 PolarHBondContact O-N 2.92Å; R464-L468 HydrophobicContact CG-CD1 4.26Å; R464-L468 WeakPolarHBondContact O-CB 3.44Å; R464-L468 VanDerWaalsContact O-CG 3.28Å; R464-L468 WeakPolarHBondContact O-CG 3.36Å; R464-L468 PolarHBondContact O-N 2.95Å
465	V	98.8	Very high	97.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59	-42.8	168.1	167.3	0	0	0	0	110.7	L398 F399 L403 I411 R461 Y462 L468 Y469 I530 L533	L398-V465 HydrophobicContact CB-CG2 4.1Å; L398-V465 HydrophobicContact CD2-CG1 4.35Å; L398-V465 HydrophobicContact CD2-CG2 4.38Å; L398-V465 WeakPolarHBondContact O-CG2 3.35Å; F399-V465 HydrophobicContact CD2-CG2 4.07Å; L403-V465 HydrophobicContact CD1-CG2 4.5Å; I411-V465 HydrophobicContact CD1-CB 4.4Å; I411-V465 HydrophobicContact CD1-CG1 3.99Å; R461-V465 WeakPolarHBondContact O-CG2 3.28Å; R461-V465 PolarHBondContact O-N 3.07Å; Y462-V465 WeakPolarHBondContact O-CB 3.42Å; Y462-V465 PolarHBondContact O-N 3.16Å; V465-L468 PolarHBondContact O-N 3.1Å; V465-Y469 WeakPolarHBondContact O-CB 3.44Å; V465-Y469 PolarHBondContact O-N 2.96Å; V465-I530 HydrophobicContact CB-CD1 4.47Å; V465-I530 HydrophobicContact CG1-CD1 3.95Å; V465-I530 HydrophobicContact CG2-CD1 3.94Å; V465-L533 HydrophobicContact CG1-CD1 3.59Å
466	K	98.6	Very high	97.9	Very high	39 Å²	39	40 Å²	40	17%	0.17	19%	0.191	C	C	.	.	H	α-helix	trans	-63.7	-40.3	177.2	-159.5	179.2	-170.6	176.6	0	113.4	I411 D412 Y462 R463 R464 N470 I547 E548	I411-K466 HydrophobicContact CD1-CB 4.2Å; I411-K466 HydrophobicContact CG1-CB 3.88Å; I411-K466 HydrophobicContact CG1-CD 4.02Å; I411-K466 HydrophobicContact CG1-CG 3.89Å; D412-K466 IonicContact OD1-NZ 2.69Å; D412-K466 PolarHBondContact OD1-NZ 3.41Å; D412-K466 IonicContact OD2-NZ 2.72Å; D412-K466 PolarHBondContact OD2-NZ 3.07Å; Y462-K466 WeakPolarHBondContact O-CB 3.26Å; Y462-K466 PolarHBondContact O-N 3.38Å; R463-K466 CarbonylContact O-C 3.56Å; R463-K466 WeakPolarHBondContact O-CA 3.45Å; R463-K466 VanDerWaalsContact O-CB 3.27Å; R463-K466 WeakPolarHBondContact O-CB 3.35Å; R463-K466 PolarHBondContact O-N 3.32Å; R463-K466 VanDerWaalsContact O-N 3.09Å; R464-K466 VanDerWaalsContact C-N 3.3Å; K466-N470 WeakPolarHBondContact O-CB 3.28Å; K466-N470 PolarHBondContact O-N 3.25Å; K466-N470 PolarHBondContact O-ND2 2.74Å; K466-I547 HydrophobicContact CD-CG2 4.5Å; K466-I547 HydrophobicContact CG-CD1 4.45Å; K466-I547 HydrophobicContact CG-CG2 3.73Å; K466-E548 WeakPolarHBondContact CE-OE1 3.17Å; K466-E548 IonicContact NZ-OE1 3.34Å; K466-E548 PolarHBondContact NZ-OE1 3.29Å
467	E	98.3	Very high	98	Very high	55 Å²	55	37 Å²	37	26%	0.257	18%	0.18	S	C	.	.	H	α-helix	trans	-62.9	-53.4	172.7	-70.1	164.9	-164.2	0	0	110.6	R463 R464 Y469 N470 T471	R463-E467 HydrophobicContact CG-CG 4.48Å; R463-E467 IonicContact NH1-OE1 2.6Å; R463-E467 PolarHBondContact NH1-OE1 3.45Å; R463-E467 WeakPolarHBondContact O-CG 3.36Å; R463-E467 PolarHBondContact O-N 2.7Å; R464-E467 WeakPolarHBondContact CD-OE2 3.41Å; R464-E467 IonicContact CZ-OE2 3.18Å; R464-E467 IonicContact NE-OE2 1.8Å; R464-E467 IonicContact NH1-OE2 2.81Å; R464-E467 PolarHBondContact NH1-OE2 3.09Å; R464-E467 PolarHBondContact O-N 2.92Å; E467-Y469 PolarHBondContact O-N 2.92Å; E467-N470 PolarHBondContact O-N 3.33Å; E467-T471 PolarHBondContact O-N 3.35Å; E467-T471 PolarHBondContact O-OG1 3.25Å; E467-T471 VanDerWaalsContact O-OG1 3.05Å
468	L	98.3	Very high	98	Very high	20 Å²	20	37.6 Å²	37.6	11%	0.105	19%	0.193	C	C	.	.	H	α-helix	trans	-60.4	-47.2	-178.8	-72.1	169.7	0	0	0	112.4	H397 R464 V465 N470 T471 Y472	H397-L468 WeakPolarHBondContact O-CD1 3.33Å; R464-L468 HydrophobicContact CG-CD1 4.26Å; R464-L468 WeakPolarHBondContact O-CB 3.44Å; R464-L468 VanDerWaalsContact O-CG 3.28Å; R464-L468 WeakPolarHBondContact O-CG 3.36Å; R464-L468 PolarHBondContact O-N 2.95Å; V465-L468 PolarHBondContact O-N 3.1Å; L468-N470 PolarHBondContact O-N 3.4Å; L468-T471 PolarHBondContact O-N 3.39Å; L468-Y472 HydrophobicContact CD2-CD2 4.21Å; L468-Y472 HydrophobicContact CD2-CE2 3.91Å; L468-Y472 WeakPolarHBondContact O-CB 3.49Å; L468-Y472 VanDerWaalsContact O-CD2 3.31Å; L468-Y472 WeakPolarHBondContact O-CD2 3.35Å; L468-Y472 PolarHBondContact O-N 3.26Å
469	Y	98.8	Very high	98	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-57.8	-48.4	176.1	-178.8	-84.1	0	0	0	111.2	V465 E467 T471 Y472 K473 L533 I536 L537 G542 F545 I547 I550	V465-Y469 WeakPolarHBondContact O-CB 3.44Å; V465-Y469 PolarHBondContact O-N 2.96Å; E467-Y469 PolarHBondContact O-N 2.92Å; Y469-T471 VanDerWaalsContact C-N 3.32Å; Y469-T471 PolarHBondContact O-N 2.95Å; Y469-Y472 PolarHBondContact O-N 3.28Å; Y469-K473 HydrophobicContact CD1-CB 4.36Å; Y469-K473 HydrophobicContact CD1-CD 4.1Å; Y469-K473 HydrophobicContact CE1-CB 4.2Å; Y469-K473 HydrophobicContact CE1-CD 3.89Å; Y469-K473 WeakPolarHBondContact O-CB 3.46Å; Y469-K473 WeakPolarHBondContact O-CG 3.38Å; Y469-K473 PolarHBondContact O-N 3.2Å; Y469-L533 HydrophobicContact CD2-CD2 3.87Å; Y469-L533 HydrophobicContact CE2-CD2 3.82Å; Y469-I536 HydrophobicContact CE2-CG2 3.93Å; Y469-I536 WeakPolarHBondContact OH-CG2 3.47Å; Y469-L537 HydrophobicContact CD2-CD1 4.21Å; Y469-L537 HydrophobicContact CD2-CD2 3.77Å; Y469-L537 HydrophobicContact CD2-CG 3.92Å; Y469-L537 HydrophobicContact CE2-CD2 4Å; Y469-L537 HydrophobicContact CE2-CG 4.16Å; Y469-L537 HydrophobicContact CG-CD2 4.44Å; Y469-G542 VanDerWaalsContact OH-CA 3.26Å; Y469-G542 WeakPolarHBondContact OH-CA 3.47Å; Y469-F545 PolarHBondContact OH-O 3.05Å; Y469-I547 HydrophobicContact CD1-CB 3.66Å; Y469-I547 HydrophobicContact CD1-CD1 4.07Å; Y469-I547 HydrophobicContact CD1-CG1 4.31Å; Y469-I547 HydrophobicContact CD1-CG2 4.22Å; Y469-I547 HydrophobicContact CD2-CD1 4.27Å; Y469-I547 HydrophobicContact CE1-CB 3.73Å; Y469-I547 HydrophobicContact CG-CB 4.26Å; Y469-I547 HydrophobicContact CG-CD1 3.79Å; Y469-I547 HydrophobicContact CG-CG1 4.43Å; Y469-I550 HydrophobicContact CE2-CD1 4.25Å; Y469-I550 WeakPolarHBondContact OH-CD1 2.84Å
470	N	98.4	Very high	97.9	Very high	60 Å²	60	38.8 Å²	38.8	32%	0.321	20%	0.199	S	C	.	.	H	α-helix	trans	-67.4	-30.6	-178.9	-81.3	-62.4	0	0	0	113.5	K466 E467 L468 K473 I547	K466-N470 WeakPolarHBondContact O-CB 3.28Å; K466-N470 PolarHBondContact O-N 3.25Å; K466-N470 PolarHBondContact O-ND2 2.74Å; E467-N470 PolarHBondContact O-N 3.33Å; L468-N470 PolarHBondContact O-N 3.4Å; N470-K473 WeakPolarHBondContact OD1-CE 3.47Å; N470-K473 PolarHBondContact OD1-NZ 3.34Å; N470-I547 WeakPolarHBondContact ND2-CG2 3.48Å
471	T	98.3	Very high	97.8	Very high	95 Å²	95	39.7 Å²	39.7	58%	0.583	21%	0.21	S	C	*	.	H	α-helix	trans	-70.9	-41.8	172.2	-59.7	0	0	0	0	112.7	E467 L468 Y469	E467-T471 PolarHBondContact O-N 3.35Å; E467-T471 PolarHBondContact O-OG1 3.25Å; E467-T471 VanDerWaalsContact O-OG1 3.05Å; L468-T471 PolarHBondContact O-N 3.39Å; Y469-T471 VanDerWaalsContact C-N 3.32Å; Y469-T471 PolarHBondContact O-N 2.95Å
472	Y	98.4	Very high	97.6	Very high	65 Å²	65	44.7 Å²	44.7	26%	0.255	24%	0.242	S	C	.	.	H	α-helix	trans	-108.3	-4.9	-166.7	-68.1	-75.9	0	0	0	115.8	L468 Y469 N474 N475 V476 L479	L468-Y472 HydrophobicContact CD2-CD2 4.21Å; L468-Y472 HydrophobicContact CD2-CE2 3.91Å; L468-Y472 WeakPolarHBondContact O-CB 3.49Å; L468-Y472 VanDerWaalsContact O-CD2 3.31Å; L468-Y472 WeakPolarHBondContact O-CD2 3.35Å; L468-Y472 PolarHBondContact O-N 3.26Å; Y469-Y472 PolarHBondContact O-N 3.28Å; Y472-N474 PolarHBondContact O-N 3.47Å; Y472-N475 CarbonylContact O-C 3.59Å; Y472-N475 PolarHBondContact O-N 2.86Å; Y472-V476 VanDerWaalsContact O-CG2 3.24Å; Y472-V476 WeakPolarHBondContact O-CG2 3.45Å; Y472-V476 PolarHBondContact O-N 3.26Å; Y472-V476 VanDerWaalsContact O-N 3.08Å; Y472-L479 HydrophobicContact CD1-CB 3.75Å; Y472-L479 HydrophobicContact CD2-CB 4.22Å; Y472-L479 HydrophobicContact CD2-CD1 3.83Å; Y472-L479 HydrophobicContact CD2-CG 4.42Å; Y472-L479 HydrophobicContact CE1-CB 4.23Å; Y472-L479 HydrophobicContact CE2-CD1 3.92Å; Y472-L479 HydrophobicContact CG-CB 3.73Å; Y472-L479 HydrophobicContact CG-CD1 4.24Å; Y472-L479 HydrophobicContact CG-CD2 4.47Å; Y472-L479 HydrophobicContact CG-CG 4.37Å
473	K	97.4	Very high	97.3	Very high	52 Å²	52	48.9 Å²	48.9	23%	0.226	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-28.5	178.5	58.6	-170.8	-176.8	-179	0	115.5	Y469 N470 L537 G542	Y469-K473 HydrophobicContact CD1-CB 4.36Å; Y469-K473 HydrophobicContact CD1-CD 4.1Å; Y469-K473 HydrophobicContact CE1-CB 4.2Å; Y469-K473 HydrophobicContact CE1-CD 3.89Å; Y469-K473 WeakPolarHBondContact O-CB 3.46Å; Y469-K473 WeakPolarHBondContact O-CG 3.38Å; Y469-K473 PolarHBondContact O-N 3.2Å; N470-K473 WeakPolarHBondContact OD1-CE 3.47Å; N470-K473 PolarHBondContact OD1-NZ 3.34Å; K473-L537 HydrophobicContact CB-CD2 4.17Å; K473-G542 WeakPolarHBondContact CD-O 3.5Å
474	N	96.6	Very high	97.2	Very high	132 Å²	132	49.6 Å²	49.6	71%	0.706	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	5.1	175.8	-63.4	-15.1	0	0	0	113.3	Y472	Y472-N474 PolarHBondContact O-N 3.47Å
475	N	96.4	Very high	97.1	Very high	81 Å²	81	50.5 Å²	50.5	43%	0.433	29%	0.286	S	S	.	.			trans	-149.5	50.7	-177.6	-171.9	20.1	0	0	0	112.1	Y472 G477 G478	Y472-N475 CarbonylContact O-C 3.59Å; Y472-N475 PolarHBondContact O-N 2.86Å; N475-G477 VanDerWaalsContact C-N 3.27Å; N475-G477 PolarHBondContact O-N 3.25Å; N475-G478 WeakPolarHBondContact O-CA 3.4Å; N475-G478 PolarHBondContact O-N 3.05Å; N475-G478 PolarHBondContact OD1-N 3.41Å
476	V	97.6	Very high	97.1	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.03	31%	0.312	C	S	.	.	H	α-helix	trans	-62.5	-33.5	-173.7	179.6	0	0	0	0	112.5	L393 Y472 G478 L479 L480 W488 L537 L538	L393-V476 HydrophobicContact CD1-CG1 4.36Å; Y472-V476 VanDerWaalsContact O-CG2 3.24Å; Y472-V476 WeakPolarHBondContact O-CG2 3.45Å; Y472-V476 PolarHBondContact O-N 3.26Å; Y472-V476 VanDerWaalsContact O-N 3.08Å; V476-G478 PolarHBondContact O-N 2.9Å; V476-L479 WeakPolarHBondContact O-CB 3.46Å; V476-L479 PolarHBondContact O-N 3.24Å; V476-L480 HydrophobicContact CG1-CD1 4.23Å; V476-L480 HydrophobicContact CG1-CG 4.41Å; V476-L480 PolarHBondContact O-N 3.4Å; V476-W488 HydrophobicContact CB-CH2 3.9Å; V476-W488 HydrophobicContact CB-CZ2 4.18Å; V476-W488 HydrophobicContact CB-CZ3 4.41Å; V476-W488 HydrophobicContact CG1-CH2 4.36Å; V476-W488 HydrophobicContact CG1-CZ2 4.25Å; V476-L537 HydrophobicContact CG1-CB 4.16Å; V476-L537 HydrophobicContact CG2-CB 3.95Å; V476-L537 HydrophobicContact CG2-CD2 3.93Å; V476-L537 WeakPolarHBondContact CG2-O 3.36Å; V476-L538 HydrophobicContact CG1-CD2 4.43Å
477	G	97.1	Very high	97	Very high	3 Å²	3	55.7 Å²	55.7	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-18.6	170.5	0	0	0	0	0	114.7	N475 G481	N475-G477 VanDerWaalsContact C-N 3.27Å; N475-G477 PolarHBondContact O-N 3.25Å; G477-G481 PolarHBondContact O-N 3.27Å
478	G	96.9	Very high	97.1	Very high	36 Å²	36	53.8 Å²	53.8	37%	0.371	31%	0.312	S	S	.	.	H	α-helix	trans	-81.9	-22.1	170.8	0	0	0	0	0	113.9	N475 V476	N475-G478 WeakPolarHBondContact O-CA 3.4Å; N475-G478 PolarHBondContact O-N 3.05Å; N475-G478 PolarHBondContact OD1-N 3.41Å; V476-G478 PolarHBondContact O-N 2.9Å
479	L	97.1	Very high	97.1	Very high	16 Å²	16	56.4 Å²	56.4	8%	0.084	33%	0.326	C	S	.	.	H	α-helix	trans	-80	-46.9	171.2	-178.1	60.8	0	0	0	110.7	L393 H397 Y472 V476 G481 L537	L393-L479 HydrophobicContact CD1-CD2 4.45Å; L393-L479 HydrophobicContact CD2-CD2 4.32Å; L393-L479 HydrophobicContact CG-CD2 4.45Å; H397-L479 HydrophobicContact CB-CD1 4.05Å; H397-L479 HydrophobicContact CB-CD2 4.35Å; H397-L479 HydrophobicContact CB-CG 4.37Å; H397-L479 PolarHBondContact CE1-O 2.85Å; H397-L479 VanDerWaalsContact CE1-O 3.27Å; H397-L479 PolarHBondContact NE2-O 2.84Å; Y472-L479 HydrophobicContact CD1-CB 3.75Å; Y472-L479 HydrophobicContact CD2-CB 4.22Å; Y472-L479 HydrophobicContact CD2-CD1 3.83Å; Y472-L479 HydrophobicContact CD2-CG 4.42Å; Y472-L479 HydrophobicContact CE1-CB 4.23Å; Y472-L479 HydrophobicContact CE2-CD1 3.92Å; Y472-L479 HydrophobicContact CG-CB 3.73Å; Y472-L479 HydrophobicContact CG-CD1 4.24Å; Y472-L479 HydrophobicContact CG-CD2 4.47Å; Y472-L479 HydrophobicContact CG-CG 4.37Å; V476-L479 WeakPolarHBondContact O-CB 3.46Å; V476-L479 PolarHBondContact O-N 3.24Å; L479-G481 VanDerWaalsContact C-N 3.27Å; L479-G481 PolarHBondContact O-N 2.93Å; L479-L537 HydrophobicContact CD2-CD1 4.32Å
480	L	97.2	Very high	97.1	Very high	12 Å²	12	61.6 Å²	61.6	6%	0.063	35%	0.35	C	S	.	.	H	α-helix	trans	-63.1	-28.7	179.1	-73.5	174.3	0	0	0	113.9	M389 L393 V476 K484 W488 L538	M389-L480 HydrophobicContact CE-CD1 4.12Å; M389-L480 HydrophobicContact CE-CD2 3.96Å; L393-L480 HydrophobicContact CD1-CD2 4.06Å; V476-L480 HydrophobicContact CG1-CD1 4.23Å; V476-L480 HydrophobicContact CG1-CG 4.41Å; V476-L480 PolarHBondContact O-N 3.4Å; L480-K484 HydrophobicContact CB-CB 3.95Å; L480-K484 HydrophobicContact CD2-CB 4.31Å; L480-K484 HydrophobicContact CD2-CD 4.48Å; L480-W488 HydrophobicContact CD1-CB 3.79Å; L480-W488 HydrophobicContact CD1-CD2 3.83Å; L480-W488 HydrophobicContact CD1-CE3 4Å; L480-W488 HydrophobicContact CD1-CG 3.75Å; L480-L538 HydrophobicContact CD1-CD2 4.04Å; L480-L538 HydrophobicContact CD2-CD2 4.4Å
481	G	95.9	Very high	97.1	Very high	24 Å²	24	58.9 Å²	58.9	25%	0.247	34%	0.335	C	S	.	.			trans	75.4	165	-169.7	0	0	0	0	0	113.4	G477 L479 A483 K484 R485	G477-G481 PolarHBondContact O-N 3.27Å; L479-G481 VanDerWaalsContact C-N 3.27Å; L479-G481 PolarHBondContact O-N 2.93Å; G481-A483 PolarHBondContact O-N 2.95Å; G481-K484 PolarHBondContact O-N 3.41Å; G481-R485 VanDerWaalsContact O-CB 3.31Å; G481-R485 WeakPolarHBondContact O-CB 3.26Å; G481-R485 PolarHBondContact O-N 3.26Å
482	P	93.6	Very high	97.1	Very high	106 Å²	106	56 Å²	56	69%	0.688	31%	0.314	S	S	*	.	H	α-helix	trans	-56.8	-49.8	-164.7	-27.8	35.7	0	0	0	115	K484 R485 D486	P482-K484 PolarHBondContact O-N 3.42Å; P482-R485 WeakPolarHBondContact O-CB 3.2Å; P482-R485 PolarHBondContact O-N 3.05Å; P482-D486 PolarHBondContact O-N 3.02Å
483	A	92.6	Very high	97.1	Very high	90 Å²	90	56.1 Å²	56.1	74%	0.744	33%	0.328	S	S	*	.	H	α-helix	trans	-63.6	-38.6	-175.3	0	0	0	0	0	113.4	G481	G481-A483 PolarHBondContact O-N 2.95Å
484	K	96.1	Very high	97.2	Very high	73 Å²	73	56.7 Å²	56.7	32%	0.317	33%	0.332	S	S	.	.	H	α-helix	trans	-79.4	-30	176.6	-67.6	-178.6	-173.7	174.9	0	112.1	M389 N392 L480 G481 P482 W488	M389-K484 HydrophobicContact CE-CB 4.31Å; N392-K484 WeakPolarHBondContact OD1-CE 3.32Å; N392-K484 PolarHBondContact OD1-NZ 3.12Å; L480-K484 HydrophobicContact CB-CB 3.95Å; L480-K484 HydrophobicContact CD2-CB 4.31Å; L480-K484 HydrophobicContact CD2-CD 4.48Å; G481-K484 PolarHBondContact O-N 3.41Å; P482-K484 PolarHBondContact O-N 3.42Å; K484-W488 WeakPolarHBondContact O-CB 3.5Å; K484-W488 PolarHBondContact O-N 2.81Å
485	R	97.8	Very high	97.3	Very high	95 Å²	95	50.5 Å²	50.5	36%	0.358	30%	0.299	S	S	.	.	H	α-helix	trans	-57.9	-47.1	175.9	171.7	-175.9	175.9	105.9	10.3	111.8	G481 P482 W488 L489	G481-R485 VanDerWaalsContact O-CB 3.31Å; G481-R485 WeakPolarHBondContact O-CB 3.26Å; G481-R485 PolarHBondContact O-N 3.26Å; P482-R485 WeakPolarHBondContact O-CB 3.2Å; P482-R485 PolarHBondContact O-N 3.05Å; R485-W488 WeakPolarHBondContact O-CB 3.38Å; R485-W488 PolarHBondContact O-N 3.22Å; R485-L489 HydrophobicContact CG-CD1 3.97Å; R485-L489 WeakPolarHBondContact O-CG 3.44Å; R485-L489 PolarHBondContact O-N 3.1Å
486	D	97.6	Very high	97.4	Very high	102 Å²	102	47.7 Å²	47.7	55%	0.545	28%	0.283	S	S	.	.	H	α-helix	trans	-72.5	-40	-174.1	-63.4	-20.2	0	0	0	111.1	P482 W488 L489 Q490	P482-D486 PolarHBondContact O-N 3.02Å; D486-W488 VanDerWaalsContact C-N 3.34Å; D486-W488 PolarHBondContact O-N 2.71Å; D486-L489 PolarHBondContact O-N 3.16Å; D486-Q490 PolarHBondContact O-N 3.42Å
487	A	97.9	Very high	97.4	Very high	46 Å²	46	50 Å²	50	38%	0.38	31%	0.308	S	S	.	.	H	α-helix	trans	-60.9	-39.8	171.2	0	0	0	0	0	112.8	L491	A487-L491 VanDerWaalsContact O-CB 3.25Å; A487-L491 WeakPolarHBondContact O-CB 3.35Å; A487-L491 PolarHBondContact O-N 2.76Å
488	W	98.6	Very high	97.5	Very high	15 Å²	15	50.8 Å²	50.8	6%	0.057	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-46.7	174.5	167.7	60.1	0	0	0	112.5	M389 V476 L480 K484 R485 D486 L491 R492 L538	M389-W488 HydrophobicContact CE-CB 3.8Å; M389-W488 HydrophobicContact SD-CB 3.8Å; V476-W488 HydrophobicContact CB-CH2 3.9Å; V476-W488 HydrophobicContact CB-CZ2 4.18Å; V476-W488 HydrophobicContact CB-CZ3 4.41Å; V476-W488 HydrophobicContact CG1-CH2 4.36Å; V476-W488 HydrophobicContact CG1-CZ2 4.25Å; L480-W488 HydrophobicContact CD1-CB 3.79Å; L480-W488 HydrophobicContact CD1-CD2 3.83Å; L480-W488 HydrophobicContact CD1-CE3 4Å; L480-W488 HydrophobicContact CD1-CG 3.75Å; K484-W488 WeakPolarHBondContact O-CB 3.5Å; K484-W488 PolarHBondContact O-N 2.81Å; R485-W488 WeakPolarHBondContact O-CB 3.38Å; R485-W488 PolarHBondContact O-N 3.22Å; D486-W488 VanDerWaalsContact C-N 3.34Å; D486-W488 PolarHBondContact O-N 2.71Å; W488-L491 PolarHBondContact O-N 3.43Å; W488-R492 WeakPolarHBondContact O-CB 3.25Å; W488-R492 WeakPolarHBondContact O-CG 3.22Å; W488-R492 PolarHBondContact O-N 2.82Å; W488-L538 HydrophobicContact CG-CD2 4.22Å; W488-L538 PolarHBondContact NE1-O 2.97Å
489	L	98.4	Very high	97.6	Very high	74 Å²	74	49.2 Å²	49.2	39%	0.387	29%	0.294	S	S	.	.	H	α-helix	trans	-64.7	-41.1	179.4	-71.2	171.7	0	0	0	111.6	R485 D486 A493	R485-L489 HydrophobicContact CG-CD1 3.97Å; R485-L489 WeakPolarHBondContact O-CG 3.44Å; R485-L489 PolarHBondContact O-N 3.1Å; D486-L489 PolarHBondContact O-N 3.16Å; L489-A493 PolarHBondContact O-N 2.99Å; L489-A493 VanDerWaalsContact O-N 3.08Å
490	Q	98.4	Very high	97.6	Very high	111 Å²	111	51.9 Å²	51.9	52%	0.519	31%	0.309	S	S	.	.	H	α-helix	trans	-61.2	-51.4	172.5	179.1	179.8	-14.7	0	0	111.3	D486 R492 A493 E494	D486-Q490 PolarHBondContact O-N 3.42Å; Q490-R492 VanDerWaalsContact C-N 3.32Å; Q490-R492 PolarHBondContact O-N 3.25Å; Q490-A493 PolarHBondContact O-N 3.16Å; Q490-A493 VanDerWaalsContact O-N 3.12Å; Q490-E494 HydrophobicContact CG-CG 4.4Å; Q490-E494 WeakPolarHBondContact CG-OE1 3.47Å; Q490-E494 PolarHBondContact NE2-OE1 3.03Å; Q490-E494 WeakPolarHBondContact O-CG 3.49Å; Q490-E494 PolarHBondContact O-N 3.04Å
491	L	98.8	Very high	97.7	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-41.4	179.9	175.9	62.3	0	0	0	112.3	L382 R385 M386 M389 A487 W488 E494 I495	L382-L491 HydrophobicContact CB-CD1 4.35Å; L382-L491 HydrophobicContact CD2-CD1 3.98Å; R385-L491 HydrophobicContact CB-CD1 3.76Å; R385-L491 HydrophobicContact CB-CD2 3.94Å; M386-L491 HydrophobicContact CB-CD2 4.15Å; M386-L491 HydrophobicContact CE-CD2 3.93Å; M386-L491 HydrophobicContact CE-CG 4.09Å; M386-L491 HydrophobicContact SD-CD2 4.49Å; M389-L491 HydrophobicContact CG-CD2 4.2Å; M389-L491 HydrophobicContact SD-CD2 4.08Å; A487-L491 VanDerWaalsContact O-CB 3.25Å; A487-L491 WeakPolarHBondContact O-CB 3.35Å; A487-L491 PolarHBondContact O-N 2.76Å; W488-L491 PolarHBondContact O-N 3.43Å; L491-E494 PolarHBondContact O-N 3.4Å; L491-I495 HydrophobicContact CD1-CD1 3.92Å; L491-I495 HydrophobicContact CD1-CG1 4.29Å; L491-I495 HydrophobicContact CG-CD1 3.99Å; L491-I495 WeakPolarHBondContact O-CB 3.48Å; L491-I495 WeakPolarHBondContact O-CG1 3.32Å; L491-I495 PolarHBondContact O-N 2.88Å
492	R	98.6	Very high	97.8	Very high	35 Å²	35	53 Å²	53	13%	0.132	31%	0.313	C	S	.	.	H	α-helix	trans	-63.4	-39.6	175.3	-83	-66.5	-56.3	116.3	25.3	112.1	M386 W488 Q490 E496 L538	M386-R492 HydrophobicContact CE-CG 4.12Å; W488-R492 WeakPolarHBondContact O-CB 3.25Å; W488-R492 WeakPolarHBondContact O-CG 3.22Å; W488-R492 PolarHBondContact O-N 2.82Å; Q490-R492 VanDerWaalsContact C-N 3.32Å; Q490-R492 PolarHBondContact O-N 3.25Å; R492-E496 IonicContact CZ-OE2 2.72Å; R492-E496 IonicContact NH1-OE2 3.59Å; R492-E496 PolarHBondContact NH1-OE2 2.89Å; R492-E496 IonicContact NH2-OE2 2.71Å; R492-E496 PolarHBondContact NH2-OE2 3.22Å; R492-E496 WeakPolarHBondContact O-CB 3.42Å; R492-E496 PolarHBondContact O-N 3.07Å; R492-L538 WeakPolarHBondContact CD-O 3.48Å
493	A	98.7	Very high	98.1	Very high	67 Å²	67	48.2 Å²	48.2	55%	0.554	28%	0.281	S	S	*	.	H	α-helix	trans	-67.9	-40.2	175	0	0	0	0	0	112.7	L489 Q490 E496 G497	L489-A493 PolarHBondContact O-N 2.99Å; L489-A493 VanDerWaalsContact O-N 3.08Å; Q490-A493 PolarHBondContact O-N 3.16Å; Q490-A493 VanDerWaalsContact O-N 3.12Å; A493-E496 PolarHBondContact O-N 3.07Å; A493-G497 PolarHBondContact O-N 3.11Å
494	E	98.8	Very high	98.3	Very high	65 Å²	65	46.9 Å²	46.9	30%	0.304	26%	0.264	S	S	.	.	H	α-helix	trans	-62.4	-43.7	175.4	-71.2	166.8	171.9	0	0	111.4	L382 R385 Q490 L491 G497 L498	L382-E494 HydrophobicContact CD1-CB 3.92Å; L382-E494 HydrophobicContact CD2-CB 3.85Å; R385-E494 IonicContact CZ-OE2 2.79Å; R385-E494 IonicContact NH1-OE2 3.53Å; R385-E494 PolarHBondContact NH1-OE2 3.43Å; R385-E494 IonicContact NH2-OE2 3.26Å; R385-E494 PolarHBondContact NH2-OE2 3.48Å; R385-E494 VanDerWaalsContact NH2-OE2 3.1Å; Q490-E494 HydrophobicContact CG-CG 4.4Å; Q490-E494 WeakPolarHBondContact CG-OE1 3.47Å; Q490-E494 PolarHBondContact NE2-OE1 3.03Å; Q490-E494 WeakPolarHBondContact O-CG 3.49Å; Q490-E494 PolarHBondContact O-N 3.04Å; L491-E494 PolarHBondContact O-N 3.4Å; E494-G497 PolarHBondContact O-N 3.29Å; E494-L498 WeakPolarHBondContact O-CB 3.15Å; E494-L498 PolarHBondContact O-N 3.4Å
495	I	98.8	Very high	98.4	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-44.7	174.8	-70.3	168.5	0	0	0	111.1	L363 L382 M386 L491 G497 L498 T499	L363-I495 HydrophobicContact CD1-CD1 4.48Å; L363-I495 HydrophobicContact CD1-CG1 4.35Å; L363-I495 HydrophobicContact CD1-CG2 4.25Å; L382-I495 HydrophobicContact CB-CD1 4.49Å; L382-I495 HydrophobicContact CB-CG1 3.87Å; L382-I495 HydrophobicContact CD1-CG1 4.11Å; M386-I495 HydrophobicContact CB-CD1 4Å; M386-I495 HydrophobicContact CE-CD1 3.63Å; M386-I495 HydrophobicContact CG-CD1 4.36Å; L491-I495 HydrophobicContact CD1-CD1 3.92Å; L491-I495 HydrophobicContact CD1-CG1 4.29Å; L491-I495 HydrophobicContact CG-CD1 3.99Å; L491-I495 WeakPolarHBondContact O-CB 3.48Å; L491-I495 WeakPolarHBondContact O-CG1 3.32Å; L491-I495 PolarHBondContact O-N 2.88Å; I495-G497 VanDerWaalsContact C-N 3.28Å; I495-G497 PolarHBondContact O-N 2.72Å; I495-L498 PolarHBondContact O-N 2.92Å; I495-T499 HydrophobicContact CG2-CG2 4.15Å; I495-T499 WeakPolarHBondContact O-CB 3.36Å; I495-T499 VanDerWaalsContact O-CG2 3.3Å; I495-T499 WeakPolarHBondContact O-CG2 3.41Å; I495-T499 PolarHBondContact O-N 3.05Å; I495-T499 PolarHBondContact O-OG1 3.01Å
496	E	98.5	Very high	98.5	Very high	22 Å²	22	39.8 Å²	39.8	10%	0.103	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-37.2	179.8	-154.1	69.2	-160	0	0	112.1	R492 A493 D500 S501 T504	R492-E496 IonicContact CZ-OE2 2.72Å; R492-E496 IonicContact NH1-OE2 3.59Å; R492-E496 PolarHBondContact NH1-OE2 2.89Å; R492-E496 IonicContact NH2-OE2 2.71Å; R492-E496 PolarHBondContact NH2-OE2 3.22Å; R492-E496 WeakPolarHBondContact O-CB 3.42Å; R492-E496 PolarHBondContact O-N 3.07Å; A493-E496 PolarHBondContact O-N 3.07Å; E496-D500 PolarHBondContact O-N 3.37Å; E496-S501 PolarHBondContact O-N 2.93Å; E496-S501 WeakPolarHBondContact OE1-CA 3.24Å; E496-T504 WeakPolarHBondContact OE1-CB 3.36Å; E496-T504 PolarHBondContact OE1-N 2.93Å; E496-T504 PolarHBondContact OE1-OG1 2.98Å
497	G	98.6	Very high	98.5	Very high	54 Å²	54	37.7 Å²	37.7	56%	0.557	23%	0.225	S	C	*	.	H	α-helix	trans	-70	-40.2	174.2	0	0	0	0	0	113.7	A493 E494 I495 T499	A493-G497 PolarHBondContact O-N 3.11Å; E494-G497 PolarHBondContact O-N 3.29Å; I495-G497 VanDerWaalsContact C-N 3.28Å; I495-G497 PolarHBondContact O-N 2.72Å; G497-T499 VanDerWaalsContact C-N 3.34Å
498	L	98.7	Very high	98.5	Very high	19 Å²	19	39.1 Å²	39.1	10%	0.099	22%	0.222	C	C	.	.	H	α-helix	trans	-70.3	-31	176.4	-174.9	141.6	0	0	0	112.4	L363 Y368 K374 M378 A379 L382 E494 I495	L363-L498 HydrophobicContact CD2-CD2 3.82Å; Y368-L498 HydrophobicContact CD1-CD2 4.07Å; Y368-L498 HydrophobicContact CE1-CD2 4.3Å; K374-L498 HydrophobicContact CB-CG 4.38Å; K374-L498 VanDerWaalsContact CE-O 3.25Å; K374-L498 WeakPolarHBondContact CE-O 3.34Å; K374-L498 HydrophobicContact CG-CG 4.42Å; M378-L498 HydrophobicContact CB-CD1 4.29Å; M378-L498 HydrophobicContact CG-CD1 3.86Å; A379-L498 HydrophobicContact CB-CD1 4.03Å; A379-L498 HydrophobicContact CB-CD2 4.04Å; L382-L498 HydrophobicContact CD1-CB 4.18Å; L382-L498 HydrophobicContact CD1-CD1 4.08Å; E494-L498 WeakPolarHBondContact O-CB 3.15Å; E494-L498 PolarHBondContact O-N 3.4Å; I495-L498 PolarHBondContact O-N 2.92Å
499	T	98.7	Very high	98.5	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	11.8	-175.8	59.6	0	0	0	0	114.5	V359 L363 Y368 I495 G497 S501 W502 H601	V359-T499 HydrophobicContact CB-CG2 3.76Å; V359-T499 HydrophobicContact CG1-CG2 3.97Å; V359-T499 HydrophobicContact CG2-CG2 3.87Å; L363-T499 HydrophobicContact CD2-CG2 4.22Å; Y368-T499 HydrophobicContact CE1-CG2 4.23Å; Y368-T499 VanDerWaalsContact OH-C 3.29Å; Y368-T499 WeakPolarHBondContact OH-CA 3.25Å; Y368-T499 PolarHBondContact OH-O 3.33Å; I495-T499 HydrophobicContact CG2-CG2 4.15Å; I495-T499 WeakPolarHBondContact O-CB 3.36Å; I495-T499 VanDerWaalsContact O-CG2 3.3Å; I495-T499 WeakPolarHBondContact O-CG2 3.41Å; I495-T499 PolarHBondContact O-N 3.05Å; I495-T499 PolarHBondContact O-OG1 3.01Å; G497-T499 VanDerWaalsContact C-N 3.34Å; T499-S501 PolarHBondContact O-N 3.21Å; T499-W502 PolarHBondContact O-N 3.38Å; T499-W502 VanDerWaalsContact O-N 3.16Å; T499-H601 PolarHBondContact O-NE2 3.22Å
500	D	98.3	Very high	98.5	Very high	73 Å²	73	34.9 Å²	34.9	39%	0.39	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	43.1	-179.1	-52.5	-60	0	0	0	113	K374 E496 W502	K374-D500 WeakPolarHBondContact CE-OD2 3.43Å; K374-D500 IonicContact NZ-OD1 3.44Å; K374-D500 PolarHBondContact NZ-OD1 3.15Å; K374-D500 IonicContact NZ-OD2 3.68Å; K374-D500 PolarHBondContact NZ-OD2 3.44Å; E496-D500 PolarHBondContact O-N 3.37Å; D500-W502 PolarHBondContact O-N 3.11Å
501	S	98.1	Very high	98.4	Very high	52 Å²	52	32.8 Å²	32.8	36%	0.364	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	33.6	179.9	-50.1	0	0	0	0	115	E496 T499 L503 T504 N505	E496-S501 PolarHBondContact O-N 2.93Å; E496-S501 WeakPolarHBondContact OE1-CA 3.24Å; T499-S501 PolarHBondContact O-N 3.21Å; S501-L503 PolarHBondContact O-N 2.96Å; S501-T504 PolarHBondContact O-N 3.47Å; S501-N505 PolarHBondContact O-N 2.9Å; S501-N505 PolarHBondContact O-ND2 3.47Å
502	W	98.8	Very high	98.4	Very high	8 Å²	8	34.2 Å²	34.2	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-50.4	-54.4	177.7	-176.4	-75.7	0	0	0	112.5	E355 T356 V359 Y368 T499 D500 T504 N505 A506 I598 H601 L604	E355-W502 VanDerWaalsContact O-CZ2 3.26Å; E355-W502 WeakPolarHBondContact O-CZ2 3.38Å; T356-W502 PolarHBondContact O-NE1 3.14Å; V359-W502 HydrophobicContact CG2-CB 3.75Å; V359-W502 HydrophobicContact CG2-CD2 3.71Å; V359-W502 HydrophobicContact CG2-CE3 4.33Å; V359-W502 HydrophobicContact CG2-CG 3.41Å; V359-W502 VanDerWaalsContact CG2-CG 3.41Å; Y368-W502 HydrophobicContact CE2-CE3 4.32Å; T499-W502 PolarHBondContact O-N 3.38Å; T499-W502 VanDerWaalsContact O-N 3.16Å; D500-W502 PolarHBondContact O-N 3.11Å; W502-T504 PolarHBondContact O-N 3.49Å; W502-N505 WeakPolarHBondContact O-CB 3.49Å; W502-N505 PolarHBondContact O-N 2.77Å; W502-N505 VanDerWaalsContact O-N 3.1Å; W502-A506 PolarHBondContact O-N 3.26Å; W502-I598 HydrophobicContact CH2-CG2 3.97Å; W502-I598 HydrophobicContact CZ2-CG2 3.67Å; W502-H601 AromaticContact CE3-CD2 3.8Å; W502-H601 AromaticContact CE3-CE1 3.62Å; W502-H601 AromaticContact CE3-CG 3.9Å; W502-H601 AromaticContact CE3-ND1 3.8Å; W502-H601 AromaticContact CE3-NE2 3.61Å; W502-H601 AromaticContact CZ3-CE1 3.94Å; W502-H601 AromaticContact CZ3-ND1 3.78Å; W502-L604 HydrophobicContact CD2-CD1 3.86Å; W502-L604 HydrophobicContact CE3-CD1 4.46Å; W502-L604 HydrophobicContact CG-CD1 4.15Å; W502-L604 HydrophobicContact CH2-CD1 4.47Å; W502-L604 HydrophobicContact CZ2-CD1 3.88Å
503	L	98.7	Very high	98.3	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.026	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-43.2	-178.6	-176	72.4	0	0	0	111.2	I357 I358 S501 N505 A506 L507 Y539 L541	I357-L503 HydrophobicContact CG2-CD1 3.89Å; I357-L503 WeakPolarHBondContact O-CD1 3.45Å; I358-L503 HydrophobicContact CG2-CD1 3.99Å; S501-L503 PolarHBondContact O-N 2.96Å; L503-N505 PolarHBondContact O-N 2.79Å; L503-A506 PolarHBondContact O-N 2.96Å; L503-A506 VanDerWaalsContact O-N 3.12Å; L503-L507 HydrophobicContact CD2-CD1 4.15Å; L503-L507 HydrophobicContact CG-CD1 3.9Å; L503-L507 HydrophobicContact CG-CG 4.16Å; L503-L507 WeakPolarHBondContact O-CB 3.5Å; L503-L507 WeakPolarHBondContact O-CG 3.27Å; L503-L507 PolarHBondContact O-N 3.23Å; L503-Y539 HydrophobicContact CD1-CD1 4.31Å; L503-Y539 HydrophobicContact CD2-CD1 4.02Å; L503-Y539 WeakPolarHBondContact CD2-O 3.48Å; L503-L541 HydrophobicContact CD1-CD2 4.05Å
504	T	98.4	Very high	98.2	Very high	62 Å²	62	32.3 Å²	32.3	38%	0.38	20%	0.195	S	C	.	.	H	α-helix	trans	-58.1	-31	176.1	-59.4	0	0	0	0	112	E496 S501 W502 K508	E496-T504 WeakPolarHBondContact OE1-CB 3.36Å; E496-T504 PolarHBondContact OE1-N 2.93Å; E496-T504 PolarHBondContact OE1-OG1 2.98Å; S501-T504 PolarHBondContact O-N 3.47Å; W502-T504 PolarHBondContact O-N 3.49Å; T504-K508 WeakPolarHBondContact O-CE 3.46Å; T504-K508 WeakPolarHBondContact O-CG 3.11Å
505	N	98.1	Very high	98	Very high	19 Å²	19	34.7 Å²	34.7	10%	0.102	21%	0.213	C	C	.	.	H	α-helix	trans	-76	-43.6	173.2	-69.7	-47.5	0	0	0	112.4	S501 W502 L503 L507 K508 L604	S501-N505 PolarHBondContact O-N 2.9Å; S501-N505 PolarHBondContact O-ND2 3.47Å; W502-N505 WeakPolarHBondContact O-CB 3.49Å; W502-N505 PolarHBondContact O-N 2.77Å; W502-N505 VanDerWaalsContact O-N 3.1Å; L503-N505 PolarHBondContact O-N 2.79Å; N505-L507 VanDerWaalsContact C-N 3.32Å; N505-L507 PolarHBondContact O-N 2.74Å; N505-K508 PolarHBondContact O-N 2.84Å; N505-K508 PolarHBondContact OD1-NZ 2.72Å; N505-L604 HydrophobicContact CB-CB 4.46Å
506	A	98.6	Very high	97.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-38.6	174.4	0	0	0	0	0	112.7	I357 W502 L503 K508 S509 L510 L604	I357-A506 HydrophobicContact CG2-CB 4.17Å; W502-A506 PolarHBondContact O-N 3.26Å; L503-A506 PolarHBondContact O-N 2.96Å; L503-A506 VanDerWaalsContact O-N 3.12Å; A506-K508 VanDerWaalsContact C-N 3.26Å; A506-K508 PolarHBondContact O-N 2.8Å; A506-S509 PolarHBondContact O-N 3.48Å; A506-L510 WeakPolarHBondContact O-CG 3.4Å; A506-L510 PolarHBondContact O-N 2.89Å; A506-L604 HydrophobicContact CB-CD1 4.36Å; A506-L604 HydrophobicContact CB-CD2 4.09Å
507	L	98.4	Very high	97.5	Very high	58 Å²	58	41.2 Å²	41.2	30%	0.304	26%	0.256	S	S	.	.	H	α-helix	trans	-61.2	-28.4	177.4	-79.9	170.5	0	0	0	113.6	L503 N505 L510 S511 L541	L503-L507 HydrophobicContact CD2-CD1 4.15Å; L503-L507 HydrophobicContact CG-CD1 3.9Å; L503-L507 HydrophobicContact CG-CG 4.16Å; L503-L507 WeakPolarHBondContact O-CB 3.5Å; L503-L507 WeakPolarHBondContact O-CG 3.27Å; L503-L507 PolarHBondContact O-N 3.23Å; N505-L507 VanDerWaalsContact C-N 3.32Å; N505-L507 PolarHBondContact O-N 2.74Å; L507-L510 HydrophobicContact CD2-CD1 4.4Å; L507-S511 WeakPolarHBondContact O-CB 3.38Å; L507-S511 PolarHBondContact O-N 3.43Å; L507-L541 HydrophobicContact CD2-CD2 3.89Å
508	K	97.9	Very high	97.3	Very high	75 Å²	75	40.7 Å²	40.7	33%	0.326	24%	0.241	S	C	.	.	H	α-helix	trans	-64.8	-50.3	175.5	-65.1	165	-166.9	173.7	0	110.8	T504 N505 A506 S511 I512 H608	T504-K508 WeakPolarHBondContact O-CE 3.46Å; T504-K508 WeakPolarHBondContact O-CG 3.11Å; N505-K508 PolarHBondContact O-N 2.84Å; N505-K508 PolarHBondContact OD1-NZ 2.72Å; A506-K508 VanDerWaalsContact C-N 3.26Å; A506-K508 PolarHBondContact O-N 2.8Å; K508-S511 WeakPolarHBondContact O-CB 3.5Å; K508-S511 PolarHBondContact O-N 3.49Å; K508-I512 WeakPolarHBondContact O-CG1 3.46Å; K508-I512 PolarHBondContact O-N 3.09Å; K508-H608 WeakPolarHBondContact CD-NE2 3.32Å
509	S	98.4	Very high	97.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-47.9	176.2	-58.1	0	0	0	0	111.8	A506 S511 I512 I513 H608	A506-S509 PolarHBondContact O-N 3.48Å; S509-S511 VanDerWaalsContact C-N 3.28Å; S509-S511 PolarHBondContact O-N 3.15Å; S509-I512 PolarHBondContact O-N 2.86Å; S509-I513 WeakPolarHBondContact O-CD1 3.25Å; S509-I513 WeakPolarHBondContact O-CG1 3.43Å; S509-I513 PolarHBondContact O-N 3.5Å; S509-I513 VanDerWaalsContact O-N 3.09Å; S509-H608 WeakPolarHBondContact OG-CA 3.33Å; S509-H608 WeakPolarHBondContact OG-CB 3.02Å; S509-H608 PolarHBondContact OG-N 3.25Å
510	L	98.4	Very high	97.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.8	-39	176.3	-71	169.2	0	0	0	112.4	W351 I357 A506 L507 S514 N521 L541 A544 F545	W351-L510 HydrophobicContact CD2-CD2 4.03Å; W351-L510 VanDerWaalsContact CE2-CD2 3.43Å; W351-L510 HydrophobicContact CG-CD2 4.42Å; W351-L510 HydrophobicContact CH2-CD2 4.27Å; W351-L510 HydrophobicContact CH2-CG 4.27Å; W351-L510 HydrophobicContact CZ2-CD2 3.58Å; W351-L510 HydrophobicContact CZ2-CG 3.96Å; I357-L510 HydrophobicContact CD1-CD1 4.22Å; I357-L510 HydrophobicContact CD1-CD2 4.35Å; I357-L510 HydrophobicContact CG2-CD1 4.02Å; A506-L510 WeakPolarHBondContact O-CG 3.4Å; A506-L510 PolarHBondContact O-N 2.89Å; L507-L510 HydrophobicContact CD2-CD1 4.4Å; L510-S514 WeakPolarHBondContact O-CB 3.2Å; L510-S514 PolarHBondContact O-N 2.91Å; L510-S514 PolarHBondContact O-OG 2.88Å; L510-N521 PolarHBondContact O-ND2 2.87Å; L510-N521 VanDerWaalsContact O-ND2 3.08Å; L510-L541 HydrophobicContact CD1-CD2 3.78Å; L510-A544 HydrophobicContact CB-CB 4.1Å; L510-F545 HydrophobicContact CD1-CE2 4.12Å; L510-F545 HydrophobicContact CD2-CE1 4.45Å; L510-F545 HydrophobicContact CD2-CE2 3.8Å; L510-F545 HydrophobicContact CD2-CZ 3.52Å
511	S	97.3	Very high	97.1	Very high	68 Å²	68	38.7 Å²	38.7	48%	0.476	23%	0.232	S	C	.	.	H	α-helix	trans	-65.2	-48.3	177.6	-172.6	0	0	0	0	112.1	L507 K508 S509 I513 S514 T515	L507-S511 WeakPolarHBondContact O-CB 3.38Å; L507-S511 PolarHBondContact O-N 3.43Å; K508-S511 WeakPolarHBondContact O-CB 3.5Å; K508-S511 PolarHBondContact O-N 3.49Å; S509-S511 VanDerWaalsContact C-N 3.28Å; S509-S511 PolarHBondContact O-N 3.15Å; S511-I513 VanDerWaalsContact C-N 3.3Å; S511-I513 PolarHBondContact O-N 3.39Å; S511-S514 WeakPolarHBondContact O-CA 3.2Å; S511-S514 PolarHBondContact O-N 3.19Å; S511-T515 PolarHBondContact O-N 3.45Å; S511-T515 PolarHBondContact O-OG1 3.26Å
512	I	97.3	Very high	97.2	Very high	32 Å²	32	36.2 Å²	36.2	16%	0.164	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-40.6	177.7	-65.2	162.6	0	0	0	111.3	K508 S509 S514 T515 H608 L611 E612	K508-I512 WeakPolarHBondContact O-CG1 3.46Å; K508-I512 PolarHBondContact O-N 3.09Å; S509-I512 PolarHBondContact O-N 2.86Å; I512-S514 VanDerWaalsContact C-N 3.31Å; I512-S514 PolarHBondContact O-N 2.78Å; I512-T515 PolarHBondContact O-OG1 2.77Å; I512-T515 VanDerWaalsContact O-OG1 3.13Å; I512-H608 WeakPolarHBondContact CD1-ND1 3.44Å; I512-L611 HydrophobicContact CD1-CB 4.37Å; I512-L611 HydrophobicContact CG2-CB 4.06Å; I512-E612 HydrophobicContact CD1-CG 3.61Å
513	I	97.7	Very high	97.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.4	-35.9	175.5	-64.7	160.5	0	0	0	110.9	F349 W351 S509 S511 C519 N521 L611	F349-I513 HydrophobicContact CB-CD1 4.02Å; F349-I513 HydrophobicContact CB-CG2 4.48Å; F349-I513 HydrophobicContact CD1-CD1 3.82Å; F349-I513 HydrophobicContact CD1-CG1 4.48Å; F349-I513 HydrophobicContact CD2-CB 4.32Å; F349-I513 HydrophobicContact CD2-CD1 3.83Å; F349-I513 HydrophobicContact CD2-CG1 3.84Å; F349-I513 HydrophobicContact CD2-CG2 3.48Å; F349-I513 VanDerWaalsContact CD2-CG2 3.48Å; F349-I513 HydrophobicContact CE1-CD1 4.19Å; F349-I513 HydrophobicContact CE1-CG1 4.49Å; F349-I513 HydrophobicContact CE2-CD1 4.21Å; F349-I513 HydrophobicContact CE2-CG1 3.86Å; F349-I513 HydrophobicContact CE2-CG2 3.99Å; F349-I513 HydrophobicContact CG-CD1 3.6Å; F349-I513 HydrophobicContact CG-CG1 4.14Å; F349-I513 HydrophobicContact CG-CG2 4.19Å; F349-I513 HydrophobicContact CZ-CD1 4.36Å; F349-I513 HydrophobicContact CZ-CG1 4.18Å; W351-I513 HydrophobicContact CZ2-CD1 3.79Å; S509-I513 WeakPolarHBondContact O-CD1 3.25Å; S509-I513 WeakPolarHBondContact O-CG1 3.43Å; S509-I513 PolarHBondContact O-N 3.5Å; S509-I513 VanDerWaalsContact O-N 3.09Å; S511-I513 VanDerWaalsContact C-N 3.3Å; S511-I513 PolarHBondContact O-N 3.39Å; I513-C519 HydrophobicContact CG2-CB 4.03Å; I513-N521 HydrophobicContact CG2-CB 4.48Å; I513-N521 VanDerWaalsContact CG2-CG 3.49Å; I513-N521 VanDerWaalsContact CG2-OD1 3.24Å; I513-N521 WeakPolarHBondContact CG2-OD1 3.18Å; I513-L611 HydrophobicContact CD1-CD1 3.94Å; I513-L611 HydrophobicContact CD1-CD2 4.18Å; I513-L611 HydrophobicContact CG1-CD1 4.1Å; I513-L611 HydrophobicContact CG1-CD2 3.8Å
514	S	95.6	Very high	97.2	Very high	63 Å²	63	35.7 Å²	35.7	44%	0.441	21%	0.213	S	C	.	.	H	α-helix	trans	-76.6	-18	-178.2	-55.5	0	0	0	0	114.3	L510 S511 I512 N521	L510-S514 WeakPolarHBondContact O-CB 3.2Å; L510-S514 PolarHBondContact O-N 2.91Å; L510-S514 PolarHBondContact O-OG 2.88Å; S511-S514 WeakPolarHBondContact O-CA 3.2Å; S511-S514 PolarHBondContact O-N 3.19Å; I512-S514 VanDerWaalsContact C-N 3.31Å; I512-S514 PolarHBondContact O-N 2.78Å; S514-N521 PolarHBondContact OG-ND2 2.91Å
515	T	95.1	Very high	97.2	Very high	114 Å²	114	32.7 Å²	32.7	70%	0.699	19%	0.194	S	C	*	.	H	α-helix	trans	-91.3	-13	175	54.8	0	0	0	0	113.6	S511 I512	S511-T515 PolarHBondContact O-N 3.45Å; S511-T515 PolarHBondContact O-OG1 3.26Å; I512-T515 PolarHBondContact O-OG1 2.77Å; I512-T515 VanDerWaalsContact O-OG1 3.13Å
516	R	94.3	Very high	97.2	Very high	36 Å²	36	35.1 Å²	35.1	14%	0.136	21%	0.21	C	C	.	.			trans	-86.1	119.3	177.7	-81.3	179.8	171.3	161.6	0.1	111.5	N518 C519 L611 E614 L616	R516-N518 PolarHBondContact O-N 3.11Å; R516-C519 HydrophobicContact CB-CB 3.78Å; R516-C519 PolarHBondContact O-N 2.71Å; R516-L611 PolarHBondContact NH2-O 2.91Å; R516-E614 IonicContact CZ-OE1 2.71Å; R516-E614 IonicContact NE-OE1 3.19Å; R516-E614 IonicContact NH2-OE1 3.79Å; R516-E614 PolarHBondContact NH2-OE1 3.35Å; R516-L616 PolarHBondContact NH1-O 2.93Å
517	S	91.7	Very high	97.2	Very high	125 Å²	125	36.3 Å²	36.3	87%	0.874	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.2	-179.8	52	0	0	0	0	114.5
518	N	94.2	Very high	97.2	Very high	43 Å²	43	35.8 Å²	35.8	23%	0.23	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	4	177.5	60.1	-32.5	0	0	0	113.7	D344 E346 R347 R516	D344-N518 VanDerWaalsContact O-CA 3.31Å; D344-N518 WeakPolarHBondContact O-CA 3.44Å; D344-N518 VanDerWaalsContact O-CB 3.25Å; D344-N518 WeakPolarHBondContact O-CB 3.27Å; E346-N518 HydrophobicContact CB-CB 4.29Å; E346-N518 HydrophobicContact CG-CB 4.16Å; E346-N518 PolarHBondContact N-O 2.84Å; E346-N518 PolarHBondContact OE2-ND2 3.16Å; R347-N518 PolarHBondContact N-O 3.44Å; R347-N518 VanDerWaalsContact N-O 3.08Å; R516-N518 PolarHBondContact O-N 3.11Å
519	C	96.8	Very high	97.2	Very high	12 Å²	12	32.3 Å²	32.3	8%	0.081	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150	-175.5	-62.4	0	0	0	0	112.6	R347 F349 I513 R516	R347-C519 CarbonylContact O-C 3.59Å; R347-C519 VanDerWaalsContact O-CA 3.31Å; R347-C519 WeakPolarHBondContact O-CA 3.26Å; F349-C519 HydrophobicContact CD2-CB 4.46Å; F349-C519 HydrophobicContact CE2-CB 4.05Å; I513-C519 HydrophobicContact CG2-CB 4.03Å; R516-C519 HydrophobicContact CB-CB 3.78Å; R516-C519 PolarHBondContact O-N 2.71Å
520	V	97.6	Very high	97.2	Very high	34 Å²	34	32.3 Å²	32.3	21%	0.206	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	133.4	176.4	171.9	0	0	0	0	111.6	L345 R347 V348 F349 V522 N549 F569	L345-V520 HydrophobicContact CD1-CB 4.21Å; L345-V520 HydrophobicContact CD1-CG2 3.63Å; R347-V520 PolarHBondContact O-N 3.29Å; V348-V520 WeakPolarHBondContact CA-O 3.27Å; V348-V520 HydrophobicContact CG2-CB 4.23Å; F349-V520 PolarHBondContact N-O 3.36Å; V520-V522 HydrophobicContact CG1-CG2 4.07Å; V520-N549 WeakPolarHBondContact CG1-ND2 3.38Å; V520-F569 HydrophobicContact CG1-CE1 4.17Å; V520-F569 HydrophobicContact CG1-CZ 4.08Å
521	N	98.6	Very high	97.3	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.032	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133	166.7	-76.5	-48.4	0	0	0	111.3	W351 L510 I513 S514 F545 N549	W351-N521 PolarHBondContact NE1-OD1 2.87Å; L510-N521 PolarHBondContact O-ND2 2.87Å; L510-N521 VanDerWaalsContact O-ND2 3.08Å; I513-N521 HydrophobicContact CG2-CB 4.48Å; I513-N521 VanDerWaalsContact CG2-CG 3.49Å; I513-N521 VanDerWaalsContact CG2-OD1 3.24Å; I513-N521 WeakPolarHBondContact CG2-OD1 3.18Å; S514-N521 PolarHBondContact OG-ND2 2.91Å; N521-F545 HydrophobicContact CB-CD1 4.04Å; N521-F545 HydrophobicContact CB-CE1 3.78Å; N521-F545 HydrophobicContact CB-CZ 4.44Å; N521-N549 WeakPolarHBondContact O-CB 3.31Å; N521-N549 PolarHBondContact O-ND2 2.91Å
522	V	98.9	Very high	97.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.9	173.9	178.4	0	0	0	0	108.8	V348 F349 V350 W351 V520 N549 Y551 I565 F569	V348-V522 HydrophobicContact CG1-CB 4.3Å; V348-V522 HydrophobicContact CG1-CG2 3.72Å; F349-V522 PolarHBondContact O-N 3.39Å; F349-V522 VanDerWaalsContact O-O 3.13Å; V350-V522 WeakPolarHBondContact CA-O 3.22Å; W351-V522 PolarHBondContact N-O 3.29Å; V520-V522 HydrophobicContact CG1-CG2 4.07Å; V522-N549 WeakPolarHBondContact CA-O 3.47Å; V522-N549 WeakPolarHBondContact CG1-O 3.38Å; V522-N549 HydrophobicContact CG2-CB 4.3Å; V522-Y551 HydrophobicContact CG1-CD2 3.86Å; V522-Y551 HydrophobicContact CG1-CE2 3.76Å; V522-I565 HydrophobicContact CG1-CD1 3.56Å; V522-I565 HydrophobicContact CG1-CG1 3.99Å; V522-I565 HydrophobicContact CG1-CG2 4.49Å; V522-F569 HydrophobicContact CG2-CE2 3.76Å; V522-F569 HydrophobicContact CG2-CZ 3.99Å
523	L	98.9	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.6	-179.1	-167.1	74.9	0	0	0	111	W351 L353 I357 I536 F545 N549 I550 Y551	W351-L523 HydrophobicContact CB-CD1 3.94Å; W351-L523 CarbonylContact O-C 3.47Å; W351-L523 WeakPolarHBondContact O-CA 3.26Å; L353-L523 HydrophobicContact CB-CD1 4.05Å; L353-L523 HydrophobicContact CB-CD2 4.22Å; L353-L523 HydrophobicContact CB-CG 4.41Å; L353-L523 HydrophobicContact CD1-CD2 4.23Å; L353-L523 HydrophobicContact CD2-CD2 4.41Å; I357-L523 HydrophobicContact CD1-CD1 3.81Å; L523-I536 HydrophobicContact CD2-CD1 3.27Å; L523-I536 HydrophobicContact CD2-CG1 3.86Å; L523-F545 HydrophobicContact CB-CD1 3.81Å; L523-F545 HydrophobicContact CB-CE1 3.72Å; L523-F545 HydrophobicContact CB-CG 4.47Å; L523-F545 HydrophobicContact CB-CZ 4.31Å; L523-F545 HydrophobicContact CD1-CE1 4.15Å; L523-F545 HydrophobicContact CD1-CE2 4.4Å; L523-F545 HydrophobicContact CD1-CZ 3.9Å; L523-F545 HydrophobicContact CG-CE1 4.49Å; L523-N549 PolarHBondContact N-O 3.28Å; L523-I550 HydrophobicContact CB-CG1 4.44Å; L523-I550 HydrophobicContact CD2-CG2 4.44Å; L523-Y551 PolarHBondContact O-N 3.24Å
524	V	98.9	Very high	97.5	Very high	2 Å²	2	28 Å²	28	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	104	176.6	-173.9	0	0	0	0	109.4	V350 W351 Y551 A553 K558 C561 F562 I565	V350-V524 HydrophobicContact CG1-CB 4.4Å; V350-V524 HydrophobicContact CG1-CG2 3.6Å; W351-V524 PolarHBondContact O-N 2.84Å; V524-Y551 WeakPolarHBondContact CA-O 3.44Å; V524-A553 HydrophobicContact CG1-CB 4.2Å; V524-K558 HydrophobicContact CG1-CB 4.25Å; V524-K558 HydrophobicContact CG1-CG 4.04Å; V524-C561 HydrophobicContact CG1-CB 3.52Å; V524-C561 HydrophobicContact CG2-CB 4.29Å; V524-F562 HydrophobicContact CB-CE1 4.1Å; V524-F562 HydrophobicContact CG1-CD1 4.48Å; V524-F562 HydrophobicContact CG1-CE1 4.13Å; V524-F562 HydrophobicContact CG2-CD1 4.19Å; V524-F562 HydrophobicContact CG2-CE1 4.02Å; V524-I565 HydrophobicContact CG2-CD1 3.39Å
525	T	98.7	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.9	-177.7	177.5	0	0	0	0	112.1	D352 L353 T527 A532 Y551 A553	D352-T525 WeakPolarHBondContact OD1-CA 3.38Å; L353-T525 HydrophobicContact CB-CG2 4.49Å; L353-T525 HydrophobicContact CD2-CG2 4.29Å; T525-T527 PolarHBondContact O-N 3.05Å; T525-T527 PolarHBondContact OG1-N 2.73Å; T525-T527 PolarHBondContact OG1-OG1 3.17Å; T525-A532 HydrophobicContact CG2-CB 3.74Å; T525-Y551 PolarHBondContact N-O 2.86Å; T525-A553 WeakPolarHBondContact O-CB 3.5Å; T525-A553 PolarHBondContact O-N 3.26Å
526	T	98	Very high	97.8	Very high	70 Å²	70	20.2 Å²	20.2	43%	0.429	12%	0.119	S	C	.	.	S	Bend	trans	-75.6	-5.2	172.1	51.9	0	0	0	0	113.5	A553 T554 E583	T526-A553 HydrophobicContact CG2-CB 4.48Å; T526-T554 PolarHBondContact O-OG1 3.38Å; T526-E583 WeakPolarHBondContact CG2-OE2 3.14Å
527	T	98.2	Very high	98	Very high	25 Å²	25	18.5 Å²	18.5	15%	0.153	11%	0.113	C	C	.	.	S	Bend	trans	-71.3	141.4	171	-53.9	0	0	0	0	111	D354 T525 P531 A532 K535 S552 T554	D354-T527 PolarHBondContact OD2-OG1 2.9Å; T525-T527 PolarHBondContact O-N 3.05Å; T525-T527 PolarHBondContact OG1-N 2.73Å; T525-T527 PolarHBondContact OG1-OG1 3.17Å; T527-P531 HydrophobicContact CG2-CB 3.93Å; T527-A532 HydrophobicContact CG2-CB 4.09Å; T527-K535 HydrophobicContact CG2-CD 4.36Å; T527-K535 PolarHBondContact OG1-NZ 3.46Å; T527-S552 WeakPolarHBondContact O-CB 3.49Å; T527-S552 PolarHBondContact O-OG 3.43Å; T527-T554 PolarHBondContact O-OG1 2.68Å
528	Q	98.5	Very high	98.4	Very high	47 Å²	47	12.6 Å²	12.6	22%	0.22	7%	0.071	C	C	.	.			trans	-52.6	148.7	170.4	-74.1	-170.9	37.9	0	0	111	D407 I530 P531 A532 T554	D407-Q528 WeakPolarHBondContact OD2-CA 3.46Å; D407-Q528 WeakPolarHBondContact OD2-CB 3.49Å; Q528-I530 PolarHBondContact O-N 3.39Å; Q528-P531 HydrophobicContact CB-CG 4.29Å; Q528-P531 WeakPolarHBondContact O-CD 3.5Å; Q528-A532 VanDerWaalsContact O-CB 3.24Å; Q528-A532 WeakPolarHBondContact O-CB 3.27Å; Q528-A532 PolarHBondContact O-N 2.72Å; Q528-T554 HydrophobicContact CG-CG2 4.11Å; Q528-T554 PolarHBondContact N-OG1 2.91Å; Q528-T554 VanDerWaalsContact N-OG1 3.13Å
529	L	98.8	Very high	98.6	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-61.5	-40.6	-168.6	-179.4	60.9	0	0	0	112.9	D407 Q408 Y462 A532 L533 I550	D407-L529 WeakPolarHBondContact OD1-CB 3.42Å; D407-L529 PolarHBondContact OD1-N 3.48Å; D407-L529 PolarHBondContact OD2-N 2.9Å; D407-L529 VanDerWaalsContact OD2-N 3.15Å; Q408-L529 VanDerWaalsContact O-CB 3.22Å; Q408-L529 WeakPolarHBondContact O-CB 3.38Å; Q408-L529 WeakPolarHBondContact O-CD2 3.37Å; Y462-L529 HydrophobicContact CE1-CD2 4.09Å; L529-A532 PolarHBondContact O-N 3.09Å; L529-L533 HydrophobicContact CD1-CD1 4.23Å; L529-L533 HydrophobicContact CD1-CG 4.22Å; L529-L533 HydrophobicContact CG-CD1 4.13Å; L529-L533 VanDerWaalsContact O-CG 3.25Å; L529-L533 WeakPolarHBondContact O-CG 3.37Å; L529-L533 PolarHBondContact O-N 2.95Å; L529-I550 HydrophobicContact CD1-CG2 3.92Å
530	I	98.8	Very high	98.6	Very high	1 Å²	1	13 Å²	13	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-68.9	-50.5	-177.4	-62.2	-59.8	0	0	0	112.7	A394 L398 F400 L403 Y462 V465 Q528 A532 L533 A534	A394-I530 HydrophobicContact CB-CG2 4.17Å; L398-I530 HydrophobicContact CB-CG2 3.69Å; F400-I530 HydrophobicContact CB-CG2 3.81Å; F400-I530 HydrophobicContact CD2-CB 4.01Å; F400-I530 HydrophobicContact CD2-CG2 3.91Å; F400-I530 HydrophobicContact CG-CG2 4.25Å; L403-I530 HydrophobicContact CB-CG1 4.1Å; L403-I530 HydrophobicContact CD1-CD1 3.69Å; L403-I530 HydrophobicContact CD1-CG1 3.76Å; Y462-I530 HydrophobicContact CD1-CD1 4.22Å; Y462-I530 HydrophobicContact CE1-CD1 3.67Å; Y462-I530 HydrophobicContact CE1-CG1 4.11Å; V465-I530 HydrophobicContact CB-CD1 4.47Å; V465-I530 HydrophobicContact CG1-CD1 3.95Å; V465-I530 HydrophobicContact CG2-CD1 3.94Å; Q528-I530 PolarHBondContact O-N 3.39Å; I530-A532 VanDerWaalsContact C-N 3.3Å; I530-A532 PolarHBondContact O-N 2.96Å; I530-L533 HydrophobicContact CD1-CD1 4.41Å; I530-L533 PolarHBondContact O-N 3Å; I530-A534 PolarHBondContact O-N 3.14Å; I530-A534 VanDerWaalsContact O-N 3.09Å
531	P	98.8	Very high	98.7	Very high	8 Å²	8	11.5 Å²	11.5	5%	0.052	7%	0.068	C	C	.	.	H	α-helix	trans	-62.4	-31.3	170.5	-25.1	35.3	0	0	0	113.9	I390 F391 F400 T527 Q528 A534 K535	I390-P531 HydrophobicContact CG2-CB 4.4Å; F391-P531 HydrophobicContact CE1-CG 4.37Å; F400-P531 HydrophobicContact CD2-CG 3.91Å; F400-P531 HydrophobicContact CE1-CG 4.37Å; F400-P531 HydrophobicContact CE2-CG 3.51Å; F400-P531 HydrophobicContact CZ-CG 3.78Å; T527-P531 HydrophobicContact CG2-CB 3.93Å; Q528-P531 HydrophobicContact CB-CG 4.29Å; Q528-P531 WeakPolarHBondContact O-CD 3.5Å; P531-A534 PolarHBondContact O-N 3.23Å; P531-K535 WeakPolarHBondContact O-CG 3.45Å; P531-K535 PolarHBondContact O-N 3.38Å
532	A	98.9	Very high	98.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.8	-45.1	173.4	0	0	0	0	0	111.5	T525 T527 Q528 L529 I530 A534 K535 I536	T525-A532 HydrophobicContact CG2-CB 3.74Å; T527-A532 HydrophobicContact CG2-CB 4.09Å; Q528-A532 VanDerWaalsContact O-CB 3.24Å; Q528-A532 WeakPolarHBondContact O-CB 3.27Å; Q528-A532 PolarHBondContact O-N 2.72Å; L529-A532 PolarHBondContact O-N 3.09Å; I530-A532 VanDerWaalsContact C-N 3.3Å; I530-A532 PolarHBondContact O-N 2.96Å; A532-A534 VanDerWaalsContact C-N 3.3Å; A532-A534 PolarHBondContact O-N 2.88Å; A532-K535 WeakPolarHBondContact O-CB 3.1Å; A532-K535 PolarHBondContact O-N 3.29Å; A532-I536 WeakPolarHBondContact O-CB 3.48Å; A532-I536 VanDerWaalsContact O-CD1 3.22Å; A532-I536 WeakPolarHBondContact O-CD1 3.35Å; A532-I536 WeakPolarHBondContact O-CG1 3.48Å; A532-I536 PolarHBondContact O-N 3.34Å
533	L	98.9	Very high	98.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.4	-37.2	174.5	-67.7	169.4	0	0	0	112	L398 I411 V465 Y469 L529 I530 I536 L537 I547 I550	L398-L533 HydrophobicContact CD1-CB 4.24Å; I411-L533 HydrophobicContact CD1-CD1 4.46Å; V465-L533 HydrophobicContact CG1-CD1 3.59Å; Y469-L533 HydrophobicContact CD2-CD2 3.87Å; Y469-L533 HydrophobicContact CE2-CD2 3.82Å; L529-L533 HydrophobicContact CD1-CD1 4.23Å; L529-L533 HydrophobicContact CD1-CG 4.22Å; L529-L533 HydrophobicContact CG-CD1 4.13Å; L529-L533 VanDerWaalsContact O-CG 3.25Å; L529-L533 WeakPolarHBondContact O-CG 3.37Å; L529-L533 PolarHBondContact O-N 2.95Å; I530-L533 HydrophobicContact CD1-CD1 4.41Å; I530-L533 PolarHBondContact O-N 3Å; L533-I536 PolarHBondContact O-N 3.39Å; L533-L537 VanDerWaalsContact O-CG 3.31Å; L533-L537 WeakPolarHBondContact O-CG 3.19Å; L533-L537 PolarHBondContact O-N 2.87Å; L533-I547 HydrophobicContact CD1-CD1 3.86Å; L533-I547 HydrophobicContact CD2-CD1 3.7Å; L533-I547 HydrophobicContact CD2-CG1 3.75Å; L533-I547 HydrophobicContact CG-CD1 4.45Å; L533-I550 HydrophobicContact CD2-CD1 3.59Å; L533-I550 HydrophobicContact CD2-CG2 4.34Å
534	A	98.9	Very high	98.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-45.1	173.3	0	0	0	0	0	112.6	I390 L393 A394 L398 I530 P531 A532 I536 L537 L538	I390-A534 HydrophobicContact CG2-CB 4.11Å; I390-A534 WeakPolarHBondContact O-CB 3.41Å; L393-A534 HydrophobicContact CD2-CB 3.94Å; A394-A534 HydrophobicContact CB-CB 4.11Å; L398-A534 HydrophobicContact CD1-CB 4.26Å; I530-A534 PolarHBondContact O-N 3.14Å; I530-A534 VanDerWaalsContact O-N 3.09Å; P531-A534 PolarHBondContact O-N 3.23Å; A532-A534 VanDerWaalsContact C-N 3.3Å; A532-A534 PolarHBondContact O-N 2.88Å; A534-I536 PolarHBondContact O-N 3.44Å; A534-L537 PolarHBondContact O-N 3.17Å; A534-L538 WeakPolarHBondContact O-CB 3.43Å; A534-L538 WeakPolarHBondContact O-CG 3.38Å; A534-L538 PolarHBondContact O-N 3.38Å
535	K	98.8	Very high	98.4	Very high	15 Å²	15	14.4 Å²	14.4	7%	0.065	10%	0.098	C	C	.	.	H	α-helix	trans	-55.2	-49.4	171.3	-74.4	175	176.4	-176.8	0	111.5	L353 D354 I358 I390 T527 P531 A532 L537 L538 Y539	L353-K535 HydrophobicContact CD2-CB 4Å; L353-K535 HydrophobicContact CD2-CD 3.73Å; D354-K535 IonicContact OD1-NZ 3.61Å; D354-K535 PolarHBondContact OD1-NZ 3.39Å; D354-K535 IonicContact OD2-NZ 3.2Å; D354-K535 PolarHBondContact OD2-NZ 3.13Å; I358-K535 HydrophobicContact CD1-CB 4.37Å; I358-K535 HydrophobicContact CD1-CD 4.1Å; I358-K535 HydrophobicContact CD1-CG 4.4Å; I390-K535 HydrophobicContact CD1-CG 3.66Å; I390-K535 HydrophobicContact CG1-CG 4.06Å; I390-K535 HydrophobicContact CG2-CG 4.2Å; T527-K535 HydrophobicContact CG2-CD 4.36Å; T527-K535 PolarHBondContact OG1-NZ 3.46Å; P531-K535 WeakPolarHBondContact O-CG 3.45Å; P531-K535 PolarHBondContact O-N 3.38Å; A532-K535 WeakPolarHBondContact O-CB 3.1Å; A532-K535 PolarHBondContact O-N 3.29Å; K535-L537 VanDerWaalsContact C-N 3.31Å; K535-L537 PolarHBondContact O-N 3.47Å; K535-L538 PolarHBondContact O-N 2.88Å; K535-Y539 WeakPolarHBondContact O-CD2 3.3Å; K535-Y539 PolarHBondContact O-N 3.14Å
536	I	98.9	Very high	98.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.5	-35.1	-175.7	-67.9	159.7	0	0	0	111.6	L353 Y469 L523 A532 L533 A534 S540 L541 G542 I550	L353-I536 HydrophobicContact CD1-CG1 4.22Å; L353-I536 HydrophobicContact CD2-CG1 4.23Å; Y469-I536 HydrophobicContact CE2-CG2 3.93Å; Y469-I536 WeakPolarHBondContact OH-CG2 3.47Å; L523-I536 HydrophobicContact CD2-CD1 3.27Å; L523-I536 HydrophobicContact CD2-CG1 3.86Å; A532-I536 WeakPolarHBondContact O-CB 3.48Å; A532-I536 VanDerWaalsContact O-CD1 3.22Å; A532-I536 WeakPolarHBondContact O-CD1 3.35Å; A532-I536 WeakPolarHBondContact O-CG1 3.48Å; A532-I536 PolarHBondContact O-N 3.34Å; L533-I536 PolarHBondContact O-N 3.39Å; A534-I536 PolarHBondContact O-N 3.44Å; I536-S540 PolarHBondContact O-N 2.92Å; I536-L541 HydrophobicContact CB-CB 4.49Å; I536-L541 HydrophobicContact CG2-CB 3.91Å; I536-L541 PolarHBondContact O-N 3.09Å; I536-G542 PolarHBondContact O-N 2.93Å; I536-I550 HydrophobicContact CD1-CD1 3.67Å; I536-I550 HydrophobicContact CD1-CG1 4.18Å; I536-I550 HydrophobicContact CD1-CG2 3.93Å; I536-I550 HydrophobicContact CG2-CD1 4.27Å
537	L	98.9	Very high	98.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68.5	-52.2	169.9	-68.7	171.3	0	0	0	111.3	L393 Y469 K473 V476 L479 L533 A534 K535 Y539 S540	L393-L537 HydrophobicContact CD2-CD1 4.19Å; Y469-L537 HydrophobicContact CD2-CD1 4.21Å; Y469-L537 HydrophobicContact CD2-CD2 3.77Å; Y469-L537 HydrophobicContact CD2-CG 3.92Å; Y469-L537 HydrophobicContact CE2-CD2 4Å; Y469-L537 HydrophobicContact CE2-CG 4.16Å; Y469-L537 HydrophobicContact CG-CD2 4.44Å; K473-L537 HydrophobicContact CB-CD2 4.17Å; V476-L537 HydrophobicContact CG1-CB 4.16Å; V476-L537 HydrophobicContact CG2-CB 3.95Å; V476-L537 HydrophobicContact CG2-CD2 3.93Å; V476-L537 WeakPolarHBondContact CG2-O 3.36Å; L479-L537 HydrophobicContact CD2-CD1 4.32Å; L533-L537 VanDerWaalsContact O-CG 3.31Å; L533-L537 WeakPolarHBondContact O-CG 3.19Å; L533-L537 PolarHBondContact O-N 2.87Å; A534-L537 PolarHBondContact O-N 3.17Å; K535-L537 VanDerWaalsContact C-N 3.31Å; K535-L537 PolarHBondContact O-N 3.47Å; L537-Y539 VanDerWaalsContact C-N 3.3Å; L537-Y539 PolarHBondContact O-N 2.92Å; L537-S540 WeakPolarHBondContact O-CA 3.42Å; L537-S540 PolarHBondContact O-N 3.29Å
538	L	98.8	Very high	98.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.8	-25.5	-174.7	-69.8	165.8	0	0	0	114.1	M386 M389 I390 L393 V476 L480 W488 R492 A534 K535 S540	M386-L538 HydrophobicContact SD-CB 4.17Å; M386-L538 HydrophobicContact SD-CD1 4.42Å; M389-L538 HydrophobicContact CB-CD1 4.07Å; M389-L538 WeakPolarHBondContact O-CD1 3.47Å; I390-L538 HydrophobicContact CB-CD1 4.24Å; I390-L538 HydrophobicContact CG1-CD1 3.67Å; L393-L538 HydrophobicContact CB-CD1 4.46Å; L393-L538 HydrophobicContact CD1-CD1 4.24Å; L393-L538 HydrophobicContact CD1-CD2 3.88Å; L393-L538 HydrophobicContact CD1-CG 3.87Å; V476-L538 HydrophobicContact CG1-CD2 4.43Å; L480-L538 HydrophobicContact CD1-CD2 4.04Å; L480-L538 HydrophobicContact CD2-CD2 4.4Å; W488-L538 HydrophobicContact CG-CD2 4.22Å; W488-L538 PolarHBondContact NE1-O 2.97Å; R492-L538 WeakPolarHBondContact CD-O 3.48Å; A534-L538 WeakPolarHBondContact O-CB 3.43Å; A534-L538 WeakPolarHBondContact O-CG 3.38Å; A534-L538 PolarHBondContact O-N 3.38Å; K535-L538 PolarHBondContact O-N 2.88Å; L538-S540 VanDerWaalsContact C-N 3.33Å
539	Y	98.8	Very high	98.4	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.008	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	10.8	171	-75.5	-108.8	0	0	0	112.7	I358 V359 M386 L503 K535 L537 L541	I358-Y539 HydrophobicContact CB-CD1 3.67Å; I358-Y539 HydrophobicContact CB-CE1 3.61Å; I358-Y539 HydrophobicContact CB-CG 4.25Å; I358-Y539 HydrophobicContact CD1-CD2 4.25Å; I358-Y539 HydrophobicContact CD1-CE1 4.43Å; I358-Y539 HydrophobicContact CD1-CE2 4.04Å; I358-Y539 HydrophobicContact CG2-CD1 3.41Å; I358-Y539 VanDerWaalsContact CG2-CD1 3.41Å; I358-Y539 HydrophobicContact CG2-CD2 4.38Å; I358-Y539 HydrophobicContact CG2-CE1 3.93Å; I358-Y539 HydrophobicContact CG2-CG 3.67Å; V359-Y539 PolarHBondContact O-OH 3.1Å; M386-Y539 HydrophobicContact CE-CE2 4.06Å; M386-Y539 HydrophobicContact CG-CE2 3.75Å; M386-Y539 HydrophobicContact SD-CD2 4.39Å; M386-Y539 HydrophobicContact SD-CE2 3.76Å; L503-Y539 HydrophobicContact CD1-CD1 4.31Å; L503-Y539 HydrophobicContact CD2-CD1 4.02Å; L503-Y539 WeakPolarHBondContact CD2-O 3.48Å; K535-Y539 WeakPolarHBondContact O-CD2 3.3Å; K535-Y539 PolarHBondContact O-N 3.14Å; L537-Y539 VanDerWaalsContact C-N 3.3Å; L537-Y539 PolarHBondContact O-N 2.92Å; Y539-L541 PolarHBondContact O-N 3.47Å; Y539-L541 VanDerWaalsContact O-N 3.17Å
540	S	98.1	Very high	98.4	Very high	63 Å²	63	12.9 Å²	12.9	44%	0.441	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	24.6	177.8	-57.1	0	0	0	0	115	I536 L537 L538 G542	I536-S540 PolarHBondContact O-N 2.92Å; L537-S540 WeakPolarHBondContact O-CA 3.42Å; L537-S540 PolarHBondContact O-N 3.29Å; L538-S540 VanDerWaalsContact C-N 3.33Å; S540-G542 VanDerWaalsContact C-N 3.34Å
541	L	98.6	Very high	98.4	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-79.6	-14.9	-177.5	-69.4	173.1	0	0	0	113.4	L353 I357 I358 L503 L507 L510 I536 Y539 G543 A544 F545	L353-L541 HydrophobicContact CD1-CD1 3.68Å; I357-L541 HydrophobicContact CG2-CD1 3.7Å; I357-L541 HydrophobicContact CG2-CD2 3.59Å; I357-L541 HydrophobicContact CG2-CG 4.29Å; I358-L541 HydrophobicContact CG2-CD1 3.73Å; L503-L541 HydrophobicContact CD1-CD2 4.05Å; L507-L541 HydrophobicContact CD2-CD2 3.89Å; L510-L541 HydrophobicContact CD1-CD2 3.78Å; I536-L541 HydrophobicContact CB-CB 4.49Å; I536-L541 HydrophobicContact CG2-CB 3.91Å; I536-L541 PolarHBondContact O-N 3.09Å; Y539-L541 PolarHBondContact O-N 3.47Å; Y539-L541 VanDerWaalsContact O-N 3.17Å; L541-G543 PolarHBondContact O-N 2.87Å; L541-A544 PolarHBondContact O-N 3.18Å; L541-F545 HydrophobicContact CB-CD2 4.22Å; L541-F545 PolarHBondContact O-N 2.72Å
542	G	97.5	Very high	98.4	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.01	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-64.5	-12.9	-174	0	0	0	0	0	115.9	Y469 K473 I536 S540	Y469-G542 VanDerWaalsContact OH-CA 3.26Å; Y469-G542 WeakPolarHBondContact OH-CA 3.47Å; K473-G542 WeakPolarHBondContact CD-O 3.5Å; I536-G542 PolarHBondContact O-N 2.93Å; S540-G542 VanDerWaalsContact C-N 3.34Å
543	G	95.9	Very high	98.4	Very high	54 Å²	54	13 Å²	13	56%	0.557	9%	0.09	S	C	*	.	G	3₁₀ helix	trans	-71.6	-30.4	168.3	0	0	0	0	0	113.8	L541	L541-G543 PolarHBondContact O-N 2.87Å
544	A	97.8	Very high	98.4	Very high	14 Å²	14	16.1 Å²	16.1	12%	0.116	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-23.3	-179.1	0	0	0	0	0	113.4	L510 L541	L510-A544 HydrophobicContact CB-CB 4.1Å; L541-A544 PolarHBondContact O-N 3.18Å
545	F	98.4	Very high	98.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.132	C	C	.	.			trans	-115.6	106.1	-179.5	-64.9	-78.3	0	0	0	111.9	W351 I357 Y469 L510 N521 L523 L541 I550	W351-F545 HydrophobicContact CB-CZ 4.39Å; W351-F545 HydrophobicContact CG-CZ 4.27Å; I357-F545 HydrophobicContact CD1-CE2 3.91Å; I357-F545 HydrophobicContact CD1-CZ 3.7Å; Y469-F545 PolarHBondContact OH-O 3.05Å; L510-F545 HydrophobicContact CD1-CE2 4.12Å; L510-F545 HydrophobicContact CD2-CE1 4.45Å; L510-F545 HydrophobicContact CD2-CE2 3.8Å; L510-F545 HydrophobicContact CD2-CZ 3.52Å; N521-F545 HydrophobicContact CB-CD1 4.04Å; N521-F545 HydrophobicContact CB-CE1 3.78Å; N521-F545 HydrophobicContact CB-CZ 4.44Å; L523-F545 HydrophobicContact CB-CD1 3.81Å; L523-F545 HydrophobicContact CB-CE1 3.72Å; L523-F545 HydrophobicContact CB-CG 4.47Å; L523-F545 HydrophobicContact CB-CZ 4.31Å; L523-F545 HydrophobicContact CD1-CE1 4.15Å; L523-F545 HydrophobicContact CD1-CE2 4.4Å; L523-F545 HydrophobicContact CD1-CZ 3.9Å; L523-F545 HydrophobicContact CG-CE1 4.49Å; L541-F545 HydrophobicContact CB-CD2 4.22Å; L541-F545 PolarHBondContact O-N 2.72Å; F545-I550 HydrophobicContact CB-CD1 4.23Å; F545-I550 HydrophobicContact CB-CG1 4.19Å
546	P	98.1	Very high	98.1	Very high	52 Å²	52	23.6 Å²	23.6	34%	0.338	14%	0.144	S	C	.	.			trans	-53.7	141.3	158.8	-21.8	33.4	0	0	0	109.8	E548 N549	P546-E548 PolarHBondContact O-N 2.62Å; P546-N549 HydrophobicContact CB-CB 4.44Å; P546-N549 WeakPolarHBondContact O-CA 3.45Å; P546-N549 WeakPolarHBondContact O-CB 3.49Å; P546-N549 PolarHBondContact O-N 2.86Å
547	I	98.6	Very high	98.1	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-66.5	-27.2	-175.8	-172	166.4	0	0	0	112.4	I411 K466 Y469 N470 L533 N549 I550	I411-I547 HydrophobicContact CB-CD1 4.36Å; I411-I547 HydrophobicContact CB-CG1 4.07Å; I411-I547 HydrophobicContact CD1-CD1 3.76Å; I411-I547 HydrophobicContact CD1-CG1 4.4Å; I411-I547 HydrophobicContact CG1-CD1 3.71Å; I411-I547 HydrophobicContact CG1-CG1 3.93Å; I411-I547 HydrophobicContact CG2-CG1 4.14Å; K466-I547 HydrophobicContact CD-CG2 4.5Å; K466-I547 HydrophobicContact CG-CD1 4.45Å; K466-I547 HydrophobicContact CG-CG2 3.73Å; Y469-I547 HydrophobicContact CD1-CB 3.66Å; Y469-I547 HydrophobicContact CD1-CD1 4.07Å; Y469-I547 HydrophobicContact CD1-CG1 4.31Å; Y469-I547 HydrophobicContact CD1-CG2 4.22Å; Y469-I547 HydrophobicContact CD2-CD1 4.27Å; Y469-I547 HydrophobicContact CE1-CB 3.73Å; Y469-I547 HydrophobicContact CG-CB 4.26Å; Y469-I547 HydrophobicContact CG-CD1 3.79Å; Y469-I547 HydrophobicContact CG-CG1 4.43Å; N470-I547 WeakPolarHBondContact ND2-CG2 3.48Å; L533-I547 HydrophobicContact CD1-CD1 3.86Å; L533-I547 HydrophobicContact CD2-CD1 3.7Å; L533-I547 HydrophobicContact CD2-CG1 3.75Å; L533-I547 HydrophobicContact CG-CD1 4.45Å; I547-N549 PolarHBondContact O-N 3.45Å; I547-I550 PolarHBondContact O-N 3.2Å
548	E	98.2	Very high	98.1	Very high	48 Å²	48	25 Å²	25	22%	0.224	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-65.9	-12.2	172.4	-55.6	74.6	-164.7	0	0	112.6	H410 K466 P546 R568	H410-E548 WeakPolarHBondContact NE2-CA 3.46Å; H410-E548 CovalentContact NE2-O 1.81Å; H410-E548 PolarHBondContact NE2-O 3.09Å; K466-E548 WeakPolarHBondContact CE-OE1 3.17Å; K466-E548 IonicContact NZ-OE1 3.34Å; K466-E548 PolarHBondContact NZ-OE1 3.29Å; P546-E548 PolarHBondContact O-N 2.62Å; E548-R568 PolarHBondContact O-NH1 3.22Å
549	N	98.7	Very high	98	Very high	10 Å²	10	28 Å²	28	5%	0.053	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-106.3	11.8	178.8	-65.2	7	0	0	0	113	V520 N521 V522 L523 P546 I547 R568	V520-N549 WeakPolarHBondContact CG1-ND2 3.38Å; N521-N549 WeakPolarHBondContact O-CB 3.31Å; N521-N549 PolarHBondContact O-ND2 2.91Å; V522-N549 WeakPolarHBondContact CA-O 3.47Å; V522-N549 WeakPolarHBondContact CG1-O 3.38Å; V522-N549 HydrophobicContact CG2-CB 4.3Å; L523-N549 PolarHBondContact N-O 3.28Å; P546-N549 HydrophobicContact CB-CB 4.44Å; P546-N549 WeakPolarHBondContact O-CA 3.45Å; P546-N549 WeakPolarHBondContact O-CB 3.49Å; P546-N549 PolarHBondContact O-N 2.86Å; I547-N549 PolarHBondContact O-N 3.45Å; N549-R568 VanDerWaalsContact OD1-CZ 3.31Å; N549-R568 PolarHBondContact OD1-NH1 2.99Å; N549-R568 PolarHBondContact OD1-NH2 3Å
550	I	98.9	Very high	98	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129	178.1	-60.1	168.1	0	0	0	108.9	H410 Y469 L523 L529 L533 I536 F545 I547	H410-I550 PolarHBondContact CD2-O 2.95Å; Y469-I550 HydrophobicContact CE2-CD1 4.25Å; Y469-I550 WeakPolarHBondContact OH-CD1 2.84Å; L523-I550 HydrophobicContact CB-CG1 4.44Å; L523-I550 HydrophobicContact CD2-CG2 4.44Å; L529-I550 HydrophobicContact CD1-CG2 3.92Å; L533-I550 HydrophobicContact CD2-CD1 3.59Å; L533-I550 HydrophobicContact CD2-CG2 4.34Å; I536-I550 HydrophobicContact CD1-CD1 3.67Å; I536-I550 HydrophobicContact CD1-CG1 4.18Å; I536-I550 HydrophobicContact CD1-CG2 3.93Å; I536-I550 HydrophobicContact CG2-CD1 4.27Å; F545-I550 HydrophobicContact CB-CD1 4.23Å; F545-I550 HydrophobicContact CB-CG1 4.19Å; I547-I550 PolarHBondContact O-N 3.2Å
551	Y	98.9	Very high	98	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.027	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.6	-179.9	-61.3	-95.6	0	0	0	110.5	V409 H410 V522 L523 V524 T525 I565 R568	V409-Y551 CarbonylContact O-C 3.26Å; V409-Y551 WeakPolarHBondContact O-CA 3.31Å; H410-Y551 HydrophobicContact CB-CD1 4.24Å; H410-Y551 HydrophobicContact CB-CE1 4.33Å; H410-Y551 AromaticContact CD2-CD1 3.78Å; H410-Y551 AromaticContact CD2-CE1 3.43Å; H410-Y551 VanDerWaalsContact CD2-CE1 3.43Å; H410-Y551 WeakPolarHBondContact CD2-CE1 3.47Å; H410-Y551 AromaticContact CD2-CZ 3.76Å; V522-Y551 HydrophobicContact CG1-CD2 3.86Å; V522-Y551 HydrophobicContact CG1-CE2 3.76Å; L523-Y551 PolarHBondContact O-N 3.24Å; V524-Y551 WeakPolarHBondContact CA-O 3.44Å; T525-Y551 PolarHBondContact N-O 2.86Å; Y551-I565 HydrophobicContact CD2-CD1 3.9Å; Y551-I565 HydrophobicContact CD2-CG1 3.98Å; Y551-I565 HydrophobicContact CE1-CG1 4.4Å; Y551-I565 HydrophobicContact CE2-CD1 4.04Å; Y551-I565 HydrophobicContact CE2-CG1 3.63Å; Y551-I565 HydrophobicContact CG-CD1 4.41Å; Y551-R568 VanDerWaalsContact OH-CD 3.27Å; Y551-R568 WeakPolarHBondContact OH-CD 3.35Å; Y551-R568 PolarHBondContact OH-NH1 3.34Å
552	S	98.8	Very high	98	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.014	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.9	169	178.2	0	0	0	0	110.4	V409 T527 T554	V409-S552 PolarHBondContact O-N 3.09Å; T527-S552 WeakPolarHBondContact O-CB 3.49Å; T527-S552 PolarHBondContact O-OG 3.43Å; S552-T554 VanDerWaalsContact C-N 3.34Å; S552-T554 PolarHBondContact OG-N 2.92Å; S552-T554 PolarHBondContact OG-OG1 3.26Å
553	A	98.5	Very high	98.1	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.025	19%	0.185	C	C	.	.			trans	-81.1	-10.3	175.2	0	0	0	0	0	113.1	V524 T525 T526 K555 I556 G557 K558	V524-A553 HydrophobicContact CG1-CB 4.2Å; T525-A553 WeakPolarHBondContact O-CB 3.5Å; T525-A553 PolarHBondContact O-N 3.26Å; T526-A553 HydrophobicContact CG2-CB 4.48Å; A553-K555 PolarHBondContact O-N 3.37Å; A553-I556 PolarHBondContact O-N 2.69Å; A553-G557 PolarHBondContact O-N 3.42Å; A553-K558 HydrophobicContact CB-CG 3.89Å
554	T	97.4	Very high	98.2	Very high	66 Å²	66	33.2 Å²	33.2	41%	0.405	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-33.6	-168	-47.6	0	0	0	0	114.4	T526 T527 Q528 S552	T526-T554 PolarHBondContact O-OG1 3.38Å; T527-T554 PolarHBondContact O-OG1 2.68Å; Q528-T554 HydrophobicContact CG-CG2 4.11Å; Q528-T554 PolarHBondContact N-OG1 2.91Å; Q528-T554 VanDerWaalsContact N-OG1 3.13Å; S552-T554 VanDerWaalsContact C-N 3.34Å; S552-T554 PolarHBondContact OG-N 2.92Å; S552-T554 PolarHBondContact OG-OG1 3.26Å
555	K	96.1	Very high	98.2	Very high	108 Å²	108	32.6 Å²	32.6	47%	0.47	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-12.7	-177.8	-62.5	-173.2	-179.7	-178.5	0	115	D407 A553	D407-K555 WeakPolarHBondContact O-CE 3.26Å; D407-K555 PolarHBondContact O-NZ 2.94Å; A553-K555 PolarHBondContact O-N 3.37Å
556	I	97.1	Very high	98.1	Very high	63 Å²	63	34.9 Å²	34.9	32%	0.323	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.4	-5.3	-172.7	68.4	168.6	0	0	0	116	V409 A553 S560	V409-I556 HydrophobicContact CB-CD1 4.36Å; V409-I556 HydrophobicContact CG1-CD1 3.63Å; V409-I556 HydrophobicContact CG1-CG1 4.26Å; V409-I556 HydrophobicContact CG2-CD1 3.85Å; V409-I556 HydrophobicContact CG2-CG1 3.87Å; V409-I556 HydrophobicContact CG2-CG2 3.97Å; A553-I556 PolarHBondContact O-N 2.69Å; I556-S560 WeakPolarHBondContact O-CB 3.46Å; I556-S560 PolarHBondContact O-OG 3.42Å
557	G	97.9	Very high	98	Very high	23 Å²	23	39.4 Å²	39.4	24%	0.237	20%	0.197	C	C	.	.	H	α-helix	trans	76	155.2	-174.2	0	0	0	0	0	113.9	A553 E559 S560 C561 E583	A553-G557 PolarHBondContact O-N 3.42Å; G557-E559 PolarHBondContact O-N 2.95Å; G557-S560 PolarHBondContact O-N 3.48Å; G557-C561 PolarHBondContact O-N 2.9Å; G557-E583 WeakPolarHBondContact CA-OE1 3.35Å
558	K	98.2	Very high	97.9	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-35.1	-179	-67.4	-172.9	-174	177.1	0	111.9	D352 V524 A553 C561 F562 E583 E584	D352-K558 VanDerWaalsContact CG-NZ 3.27Å; D352-K558 IonicContact OD1-NZ 3.44Å; D352-K558 IonicContact OD2-NZ 3.66Å; D352-K558 PolarHBondContact OD2-NZ 3.45Å; V524-K558 HydrophobicContact CG1-CB 4.25Å; V524-K558 HydrophobicContact CG1-CG 4.04Å; A553-K558 HydrophobicContact CB-CG 3.89Å; K558-C561 WeakPolarHBondContact O-CB 3.43Å; K558-C561 PolarHBondContact O-N 3.1Å; K558-F562 HydrophobicContact CB-CE1 4.24Å; K558-F562 HydrophobicContact CB-CZ 4.39Å; K558-F562 WeakPolarHBondContact O-CD1 3.48Å; K558-F562 WeakPolarHBondContact O-CG 3.32Å; K558-F562 PolarHBondContact O-N 2.74Å; K558-E583 HydrophobicContact CB-CG 4.17Å; K558-E583 HydrophobicContact CD-CB 4.23Å; K558-E583 HydrophobicContact CD-CG 4.28Å; K558-E583 HydrophobicContact CG-CG 4.22Å; K558-E583 PolarHBondContact N-OE1 3.32Å; K558-E584 HydrophobicContact CD-CB 3.84Å; K558-E584 IonicContact NZ-OE1 3.7Å; K558-E584 PolarHBondContact NZ-OE1 2.94Å; K558-E584 IonicContact NZ-OE2 3.93Å; K558-E584 PolarHBondContact NZ-OE2 2.7Å
559	E	97.8	Very high	97.8	Very high	64 Å²	64	39.5 Å²	39.5	30%	0.299	20%	0.196	S	C	.	.	H	α-helix	trans	-56	-52.6	176.2	-167.2	-164.3	121.4	0	0	112.5	G557 C561 F562 E563 A587 K590 H591	G557-E559 PolarHBondContact O-N 2.95Å; E559-C561 VanDerWaalsContact C-N 3.25Å; E559-C561 PolarHBondContact O-N 3.18Å; E559-F562 WeakPolarHBondContact O-CA 3.46Å; E559-F562 WeakPolarHBondContact O-CB 3.36Å; E559-F562 PolarHBondContact O-N 3.1Å; E559-E563 PolarHBondContact O-N 3.38Å; E559-A587 HydrophobicContact CB-CB 3.97Å; E559-A587 HydrophobicContact CG-CB 4.33Å; E559-K590 VanDerWaalsContact CD-CD 3.4Å; E559-K590 HydrophobicContact CG-CD 4.13Å; E559-K590 IonicContact OE1-NZ 2.62Å; E559-K590 PolarHBondContact OE1-NZ 3.37Å; E559-K590 WeakPolarHBondContact OE2-CD 3.49Å; E559-K590 WeakPolarHBondContact OE2-CE 3.37Å; E559-K590 IonicContact OE2-NZ 2.69Å; E559-K590 PolarHBondContact OE2-NZ 2.86Å; E559-H591 WeakPolarHBondContact CG-NE2 3.03Å
560	S	98.4	Very high	97.6	Very high	46 Å²	46	40.3 Å²	40.3	32%	0.322	21%	0.207	S	C	.	.	H	α-helix	trans	-65.1	-30.3	179.8	-51.2	0	0	0	0	112.3	I556 G557 R564	I556-S560 WeakPolarHBondContact O-CB 3.46Å; I556-S560 PolarHBondContact O-OG 3.42Å; G557-S560 PolarHBondContact O-N 3.48Å; S560-R564 WeakPolarHBondContact O-CG 3.43Å; S560-R564 PolarHBondContact O-N 3.29Å; S560-R564 VanDerWaalsContact O-N 3.17Å
561	C	98.7	Very high	97.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.4	-42.9	169.3	-72	0	0	0	0	111.7	V524 G557 K558 E559 E563 R564 I565	V524-C561 HydrophobicContact CG1-CB 3.52Å; V524-C561 HydrophobicContact CG2-CB 4.29Å; G557-C561 PolarHBondContact O-N 2.9Å; K558-C561 WeakPolarHBondContact O-CB 3.43Å; K558-C561 PolarHBondContact O-N 3.1Å; E559-C561 VanDerWaalsContact C-N 3.25Å; E559-C561 PolarHBondContact O-N 3.18Å; C561-E563 VanDerWaalsContact C-N 3.33Å; C561-E563 PolarHBondContact O-N 3.48Å; C561-R564 WeakPolarHBondContact O-CB 3.38Å; C561-R564 PolarHBondContact O-N 3.38Å; C561-I565 WeakPolarHBondContact O-CD1 3.5Å; C561-I565 VanDerWaalsContact O-CG1 3.26Å; C561-I565 WeakPolarHBondContact O-CG1 3.24Å; C561-I565 PolarHBondContact O-N 2.9Å
562	F	98.5	Very high	96.8	Very high	3 Å²	3	61.1 Å²	61.1	1%	0.013	29%	0.291	C	S	.	.	H	α-helix	trans	-62.4	-40.6	177.1	-66.7	5.9	0	0	0	110.8	V350 V524 K558 E559 R564 I565 M566 V577 E584 A587 A588 M593	V350-F562 HydrophobicContact CG1-CD1 3.91Å; V350-F562 HydrophobicContact CG1-CE1 3.53Å; V350-F562 HydrophobicContact CG1-CZ 4.2Å; V524-F562 HydrophobicContact CB-CE1 4.1Å; V524-F562 HydrophobicContact CG1-CD1 4.48Å; V524-F562 HydrophobicContact CG1-CE1 4.13Å; V524-F562 HydrophobicContact CG2-CD1 4.19Å; V524-F562 HydrophobicContact CG2-CE1 4.02Å; K558-F562 HydrophobicContact CB-CE1 4.24Å; K558-F562 HydrophobicContact CB-CZ 4.39Å; K558-F562 WeakPolarHBondContact O-CD1 3.48Å; K558-F562 WeakPolarHBondContact O-CG 3.32Å; K558-F562 PolarHBondContact O-N 2.74Å; E559-F562 WeakPolarHBondContact O-CA 3.46Å; E559-F562 WeakPolarHBondContact O-CB 3.36Å; E559-F562 PolarHBondContact O-N 3.1Å; F562-R564 PolarHBondContact O-N 3.26Å; F562-I565 PolarHBondContact O-N 3.21Å; F562-M566 WeakPolarHBondContact O-CG 3.37Å; F562-M566 PolarHBondContact O-N 3.26Å; F562-V577 HydrophobicContact CD2-CG2 4.34Å; F562-V577 HydrophobicContact CE2-CB 4.45Å; F562-V577 HydrophobicContact CE2-CG1 3.8Å; F562-V577 HydrophobicContact CE2-CG2 3.78Å; F562-V577 HydrophobicContact CZ-CG1 3.58Å; F562-V577 HydrophobicContact CZ-CG2 4.14Å; F562-E584 HydrophobicContact CZ-CB 4.04Å; F562-A587 HydrophobicContact CD2-CB 3.6Å; F562-A587 HydrophobicContact CE2-CB 3.55Å; F562-A587 HydrophobicContact CZ-CB 4.42Å; F562-A588 HydrophobicContact CE2-CB 4.42Å; F562-M593 HydrophobicContact CB-CE 4.32Å; F562-M593 HydrophobicContact CD2-SD 4.14Å
563	E	98.1	Very high	96.6	Very high	92 Å²	92	61.7 Å²	61.7	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-60.1	-43.8	172.5	-68.3	-151.9	146	0	0	112.8	E559 C561 I565 M566 Q567 H591	E559-E563 PolarHBondContact O-N 3.38Å; C561-E563 VanDerWaalsContact C-N 3.33Å; C561-E563 PolarHBondContact O-N 3.48Å; E563-I565 VanDerWaalsContact C-N 3.31Å; E563-I565 PolarHBondContact O-N 3.05Å; E563-M566 PolarHBondContact O-N 2.95Å; E563-Q567 WeakPolarHBondContact O-CB 3.3Å; E563-Q567 WeakPolarHBondContact O-CG 3.35Å; E563-Q567 PolarHBondContact O-N 2.9Å; E563-Q567 PolarHBondContact O-NE2 3.08Å; E563-H591 IonicContact OE1-CE1 3.23Å
564	R	98.1	Very high	96.5	Very high	90 Å²	90	64.8 Å²	64.8	34%	0.34	31%	0.312	S	S	.	.	H	α-helix	trans	-61.2	-39.3	175.3	-75.7	179.8	131.3	-146.4	-9.4	111.9	V409 D413 S560 C561 F562 Q567 R568	V409-R564 VanDerWaalsContact CG1-NH1 3.28Å; D413-R564 IonicContact OD1-CZ 3.48Å; D413-R564 IonicContact OD1-NH1 2.77Å; D413-R564 PolarHBondContact OD1-NH1 3.17Å; D413-R564 VanDerWaalsContact OD1-NH1 3.11Å; D413-R564 IonicContact OD1-NH2 3.57Å; D413-R564 PolarHBondContact OD1-NH2 3.18Å; D413-R564 IonicContact OD2-CZ 2.74Å; D413-R564 IonicContact OD2-NH1 3.54Å; D413-R564 PolarHBondContact OD2-NH1 3.44Å; D413-R564 IonicContact OD2-NH2 2.74Å; S560-R564 WeakPolarHBondContact O-CG 3.43Å; S560-R564 PolarHBondContact O-N 3.29Å; S560-R564 VanDerWaalsContact O-N 3.17Å; C561-R564 WeakPolarHBondContact O-CB 3.38Å; C561-R564 PolarHBondContact O-N 3.38Å; F562-R564 PolarHBondContact O-N 3.26Å; R564-Q567 PolarHBondContact O-N 2.83Å; R564-R568 PolarHBondContact O-N 2.81Å; R564-R568 VanDerWaalsContact O-N 3.09Å
565	I	98.4	Very high	96.5	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-66.5	-47.8	177.2	-70.2	160.5	0	0	0	110.6	V348 V350 V522 V524 Y551 C561 F562 E563 Q567 R568 F569 Y575	V348-I565 HydrophobicContact CG1-CG2 4.23Å; V350-I565 HydrophobicContact CG1-CD1 4.15Å; V350-I565 HydrophobicContact CG2-CG2 4.32Å; V522-I565 HydrophobicContact CG1-CD1 3.56Å; V522-I565 HydrophobicContact CG1-CG1 3.99Å; V522-I565 HydrophobicContact CG1-CG2 4.49Å; V524-I565 HydrophobicContact CG2-CD1 3.39Å; Y551-I565 HydrophobicContact CD2-CD1 3.9Å; Y551-I565 HydrophobicContact CD2-CG1 3.98Å; Y551-I565 HydrophobicContact CE1-CG1 4.4Å; Y551-I565 HydrophobicContact CE2-CD1 4.04Å; Y551-I565 HydrophobicContact CE2-CG1 3.63Å; Y551-I565 HydrophobicContact CG-CD1 4.41Å; C561-I565 WeakPolarHBondContact O-CD1 3.5Å; C561-I565 VanDerWaalsContact O-CG1 3.26Å; C561-I565 WeakPolarHBondContact O-CG1 3.24Å; C561-I565 PolarHBondContact O-N 2.9Å; F562-I565 PolarHBondContact O-N 3.21Å; E563-I565 VanDerWaalsContact C-N 3.31Å; E563-I565 PolarHBondContact O-N 3.05Å; I565-Q567 VanDerWaalsContact C-N 3.28Å; I565-Q567 PolarHBondContact O-N 3.04Å; I565-R568 PolarHBondContact O-N 1.8Å; I565-R568 VanDerWaalsContact O-N 3.08Å; I565-F569 HydrophobicContact CG2-CD2 3.91Å; I565-F569 HydrophobicContact CG2-CE2 4.23Å; I565-F569 WeakPolarHBondContact O-CD2 3.39Å; I565-F569 PolarHBondContact O-N 3.3Å; I565-Y575 HydrophobicContact CG2-CD1 4.19Å; I565-Y575 HydrophobicContact CG2-CE1 3.86Å
566	M	97.1	Very high	96.6	Very high	48 Å²	48	57.2 Å²	57.2	24%	0.236	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-35.6	175.2	-68.6	-179.3	92.6	0	0	113	F562 E563 G570 Y575 H591 M593	F562-M566 WeakPolarHBondContact O-CG 3.37Å; F562-M566 PolarHBondContact O-N 3.26Å; E563-M566 PolarHBondContact O-N 2.95Å; M566-G570 VanDerWaalsContact O-CA 3.27Å; M566-G570 WeakPolarHBondContact O-CA 3.25Å; M566-G570 PolarHBondContact O-N 2.95Å; M566-Y575 HydrophobicContact CG-CD2 4.48Å; M566-Y575 HydrophobicContact CG-CE1 4.47Å; M566-Y575 HydrophobicContact CG-CE2 4.22Å; M566-H591 HydrophobicContact SD-CB 4.09Å; M566-M593 HydrophobicContact CE-CE 4.06Å; M566-M593 HydrophobicContact CG-CE 3.44Å; M566-M593 VanDerWaalsContact CG-CE 3.44Å; M566-M593 HydrophobicContact SD-CE 3.4Å; M566-M593 WeakPolarHBondContact SD-CE 3.49Å
567	Q	96.4	Very high	96.7	Very high	146 Å²	146	54.2 Å²	54.2	68%	0.682	26%	0.259	S	S	*	.	H	α-helix	trans	-70.1	-31.4	175.5	-72.9	171.1	46.4	0	0	112.6	E563 R564 I565	E563-Q567 WeakPolarHBondContact O-CB 3.3Å; E563-Q567 WeakPolarHBondContact O-CG 3.35Å; E563-Q567 PolarHBondContact O-N 2.9Å; E563-Q567 PolarHBondContact O-NE2 3.08Å; R564-Q567 PolarHBondContact O-N 2.83Å; I565-Q567 VanDerWaalsContact C-N 3.28Å; I565-Q567 PolarHBondContact O-N 3.04Å
568	R	96	Very high	96.7	Very high	30 Å²	30	53.1 Å²	53.1	11%	0.113	25%	0.248	C	C	.	.	H	α-helix	trans	-77.1	-50.2	179.5	179.9	-178.6	175.9	-145.1	-7.9	112.9	N336 S338 E548 N549 Y551 R564 I565	N336-R568 WeakPolarHBondContact ND2-CD 3.12Å; N336-R568 PolarHBondContact ND2-NE 3.47Å; N336-R568 PolarHBondContact OD1-NE 3.33Å; S338-R568 WeakPolarHBondContact CB-O 3.47Å; S338-R568 PolarHBondContact OG-O 3.44Å; E548-R568 PolarHBondContact O-NH1 3.22Å; N549-R568 VanDerWaalsContact OD1-CZ 3.31Å; N549-R568 PolarHBondContact OD1-NH1 2.99Å; N549-R568 PolarHBondContact OD1-NH2 3Å; Y551-R568 VanDerWaalsContact OH-CD 3.27Å; Y551-R568 WeakPolarHBondContact OH-CD 3.35Å; Y551-R568 PolarHBondContact OH-NH1 3.34Å; R564-R568 PolarHBondContact O-N 2.81Å; R564-R568 VanDerWaalsContact O-N 3.09Å; I565-R568 PolarHBondContact O-N 1.8Å; I565-R568 VanDerWaalsContact O-N 3.08Å
569	F	95.8	Very high	96.8	Very high	22 Å²	22	52.9 Å²	52.9	10%	0.096	25%	0.247	C	C	.	.	H	α-helix	trans	-93.3	-19.6	-174	-64.3	-78.1	0	0	0	113.5	P339 L345 V348 V520 V522 I565 V573 Y575	P339-F569 HydrophobicContact CG-CD1 3.88Å; L345-F569 HydrophobicContact CD2-CB 4.24Å; L345-F569 HydrophobicContact CD2-CD1 3.56Å; L345-F569 HydrophobicContact CD2-CE1 4.34Å; L345-F569 HydrophobicContact CD2-CG 4.29Å; V348-F569 HydrophobicContact CG2-CB 4.23Å; V348-F569 HydrophobicContact CG2-CD1 4.16Å; V348-F569 HydrophobicContact CG2-CD2 4.21Å; V348-F569 HydrophobicContact CG2-CG 3.96Å; V520-F569 HydrophobicContact CG1-CE1 4.17Å; V520-F569 HydrophobicContact CG1-CZ 4.08Å; V522-F569 HydrophobicContact CG2-CE2 3.76Å; V522-F569 HydrophobicContact CG2-CZ 3.99Å; I565-F569 HydrophobicContact CG2-CD2 3.91Å; I565-F569 HydrophobicContact CG2-CE2 4.23Å; I565-F569 WeakPolarHBondContact O-CD2 3.39Å; I565-F569 PolarHBondContact O-N 3.3Å; F569-V573 HydrophobicContact CB-CG2 4.46Å; F569-V573 WeakPolarHBondContact O-CG2 3.36Å; F569-Y575 HydrophobicContact CB-CE1 4.35Å; F569-Y575 WeakPolarHBondContact CB-OH 3.13Å
570	G	94.1	Very high	96.8	Very high	27 Å²	27	52.4 Å²	52.4	28%	0.278	25%	0.246	S	C	.	.			trans	92.3	164.2	170.7	0	0	0	0	0	115.2	M566 K572 Y575	M566-G570 VanDerWaalsContact O-CA 3.27Å; M566-G570 WeakPolarHBondContact O-CA 3.25Å; M566-G570 PolarHBondContact O-N 2.95Å; G570-K572 VanDerWaalsContact C-N 3.32Å; G570-K572 PolarHBondContact O-N 2.84Å; G570-Y575 PolarHBondContact N-OH 3.04Å; G570-Y575 PolarHBondContact O-OH 3.46Å
571	R	90.3	Very high	96.7	Very high	238 Å²	238	51.1 Å²	51.1	90%	0.898	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	1.1	-169.2	-62.1	-177.8	-179.6	174.7	-1.8	115.9
572	K	90.9	Very high	96.6	Very high	205 Å²	205	55.4 Å²	55.4	89%	0.891	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-18.5	176.3	-70.2	-174	177.8	-178.9	0	113.2	G570	G570-K572 VanDerWaalsContact C-N 3.32Å; G570-K572 PolarHBondContact O-N 2.84Å
573	V	94.4	Very high	96.5	Very high	15 Å²	15	58.8 Å²	58.8	9%	0.091	28%	0.282	C	S	.	.	S	Bend	trans	-80.6	142.3	-176.4	-173.4	0	0	0	0	110	L345 V348 F569 Y575	L345-V573 HydrophobicContact CD2-CG1 4.49Å; L345-V573 HydrophobicContact CD2-CG2 4.07Å; L345-V573 HydrophobicContact CG-CG1 4.19Å; L345-V573 HydrophobicContact CG-CG2 4.11Å; V348-V573 HydrophobicContact CB-CG1 4.04Å; V348-V573 HydrophobicContact CG2-CG1 3.74Å; F569-V573 HydrophobicContact CB-CG2 4.46Å; F569-V573 WeakPolarHBondContact O-CG2 3.36Å; V573-Y575 HydrophobicContact CB-CE2 3.95Å; V573-Y575 VanDerWaalsContact O-CD2 3.27Å; V573-Y575 WeakPolarHBondContact O-CD2 3.39Å; V573-Y575 VanDerWaalsContact O-CE2 3.23Å; V573-Y575 WeakPolarHBondContact O-CE2 3.25Å
574	V	96.2	Very high	96.5	Very high	67 Å²	67	54.6 Å²	54.6	41%	0.406	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	121.9	169.1	-178.4	0	0	0	0	109	E346 R347 V348 V576	E346-V574 PolarHBondContact O-N 3.42Å; R347-V574 VanDerWaalsContact CA-O 3.32Å; R347-V574 WeakPolarHBondContact CA-O 3.23Å; R347-V574 HydrophobicContact CG-CB 4.38Å; V348-V574 PolarHBondContact N-O 2.99Å; V574-V576 HydrophobicContact CG1-CG2 4.38Å
575	Y	98.4	Very high	96.5	Very high	10 Å²	10	53.5 Å²	53.5	4%	0.039	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	119.6	177.4	-62.5	-91.3	0	0	0	109.4	V348 V350 I565 M566 F569 G570 V573 M593 P594	V348-Y575 HydrophobicContact CB-CD1 3.78Å; V348-Y575 HydrophobicContact CB-CE1 3.89Å; V348-Y575 HydrophobicContact CG1-CD1 3.78Å; V348-Y575 HydrophobicContact CG1-CE1 3.96Å; V348-Y575 HydrophobicContact CG2-CE1 4.31Å; V348-Y575 WeakPolarHBondContact O-CA 3.3Å; V350-Y575 HydrophobicContact CG2-CD1 4.38Å; I565-Y575 HydrophobicContact CG2-CD1 4.19Å; I565-Y575 HydrophobicContact CG2-CE1 3.86Å; M566-Y575 HydrophobicContact CG-CD2 4.48Å; M566-Y575 HydrophobicContact CG-CE1 4.47Å; M566-Y575 HydrophobicContact CG-CE2 4.22Å; F569-Y575 HydrophobicContact CB-CE1 4.35Å; F569-Y575 WeakPolarHBondContact CB-OH 3.13Å; G570-Y575 PolarHBondContact N-OH 3.04Å; G570-Y575 PolarHBondContact O-OH 3.46Å; V573-Y575 HydrophobicContact CB-CE2 3.95Å; V573-Y575 VanDerWaalsContact O-CD2 3.27Å; V573-Y575 WeakPolarHBondContact O-CD2 3.39Å; V573-Y575 VanDerWaalsContact O-CE2 3.23Å; V573-Y575 WeakPolarHBondContact O-CE2 3.25Å; Y575-M593 HydrophobicContact CD1-CE 4.35Å; Y575-M593 HydrophobicContact CD2-CE 4.29Å; Y575-M593 HydrophobicContact CG-CE 3.89Å; Y575-M593 HydrophobicContact CG-SD 4.34Å; Y575-P594 WeakPolarHBondContact O-CD 3.48Å
576	V	98.5	Very high	96.5	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.03	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.9	174.5	-178	0	0	0	0	107.5	V348 F349 V350 V574 I578	V348-V576 PolarHBondContact O-N 3.39Å; F349-V576 CarbonylContact C-O 3.47Å; F349-V576 WeakPolarHBondContact CA-O 3.4Å; F349-V576 HydrophobicContact CD1-CB 3.84Å; F349-V576 HydrophobicContact CD1-CG1 4.13Å; F349-V576 HydrophobicContact CD1-CG2 4.46Å; F349-V576 HydrophobicContact CE1-CB 4.04Å; F349-V576 HydrophobicContact CE1-CG1 4.24Å; F349-V576 HydrophobicContact CE1-CG2 4.2Å; V350-V576 PolarHBondContact N-O 3.11Å; V574-V576 HydrophobicContact CG1-CG2 4.38Å; V576-I578 HydrophobicContact CG1-CG1 4.34Å
577	V	98.8	Very high	96.6	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.1	179.8	-178.1	0	0	0	0	109	V350 F562 E584 A588 M593 P594 F595 W596	V350-V577 HydrophobicContact CB-CG2 4.25Å; V350-V577 CarbonylContact O-C 3.58Å; V350-V577 WeakPolarHBondContact O-CA 3.25Å; F562-V577 HydrophobicContact CD2-CG2 4.34Å; F562-V577 HydrophobicContact CE2-CB 4.45Å; F562-V577 HydrophobicContact CE2-CG1 3.8Å; F562-V577 HydrophobicContact CE2-CG2 3.78Å; F562-V577 HydrophobicContact CZ-CG1 3.58Å; F562-V577 HydrophobicContact CZ-CG2 4.14Å; V577-E584 HydrophobicContact CG1-CB 4.03Å; V577-A588 HydrophobicContact CB-CB 3.85Å; V577-A588 HydrophobicContact CG1-CB 4.17Å; V577-A588 HydrophobicContact CG2-CB 3.77Å; V577-M593 HydrophobicContact CG2-CB 3.91Å; V577-M593 HydrophobicContact CG2-CG 4.38Å; V577-M593 HydrophobicContact CG2-SD 3.53Å; V577-M593 VanDerWaalsContact CG2-SD 3.53Å; V577-P594 PolarHBondContact N-O 3.17Å; V577-F595 HydrophobicContact CB-CD2 3.95Å; V577-F595 HydrophobicContact CG1-CD2 3.78Å; V577-F595 HydrophobicContact CG1-CE2 4.01Å; V577-F595 CarbonylContact O-C 3.55Å; V577-F595 WeakPolarHBondContact O-CA 3.38Å; V577-F595 WeakPolarHBondContact O-CD2 3.36Å; V577-W596 PolarHBondContact O-N 3Å
578	I	98.9	Very high	96.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.7	-177.2	-55.7	162.5	0	0	0	108.4	F349 V350 W351 D352 T356 V576 W596 I598 L607	F349-I578 HydrophobicContact CB-CD1 4.37Å; F349-I578 HydrophobicContact CD1-CD1 3.92Å; V350-I578 PolarHBondContact O-N 3.45Å; W351-I578 CarbonylContact C-O 3.57Å; W351-I578 WeakPolarHBondContact CA-O 3.34Å; W351-I578 HydrophobicContact CD2-CB 4.14Å; W351-I578 HydrophobicContact CD2-CD1 3.77Å; W351-I578 HydrophobicContact CD2-CG2 4.33Å; W351-I578 HydrophobicContact CE3-CB 3.93Å; W351-I578 HydrophobicContact CE3-CD1 4.06Å; W351-I578 HydrophobicContact CE3-CG2 3.63Å; W351-I578 HydrophobicContact CG-CD1 4.43Å; W351-I578 HydrophobicContact CH2-CD1 3.98Å; W351-I578 HydrophobicContact CH2-CG2 4.49Å; W351-I578 HydrophobicContact CZ2-CD1 3.66Å; W351-I578 HydrophobicContact CZ3-CB 4.41Å; W351-I578 HydrophobicContact CZ3-CD1 4.16Å; W351-I578 HydrophobicContact CZ3-CG2 3.73Å; D352-I578 PolarHBondContact N-O 3.3Å; T356-I578 HydrophobicContact CG2-CG2 4.17Å; V576-I578 HydrophobicContact CG1-CG1 4.34Å; I578-W596 WeakPolarHBondContact CA-O 3.5Å; I578-W596 HydrophobicContact CG1-CB 4.21Å; I578-I598 HydrophobicContact CG2-CD1 4.26Å; I578-I598 HydrophobicContact CG2-CG1 3.77Å; I578-L607 HydrophobicContact CD1-CD1 4.3Å; I578-L607 HydrophobicContact CD1-CD2 4.02Å; I578-L607 HydrophobicContact CG2-CD2 4Å
579	G	98.7	Very high	96.7	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	167.9	-179.8	0	0	0	0	0	113.1	T356 F595 W596 R597 I598	T356-G579 VanDerWaalsContact OG1-CA 3.25Å; T356-G579 WeakPolarHBondContact OG1-CA 3.28Å; G579-F595 VanDerWaalsContact O-CZ 3.25Å; G579-F595 WeakPolarHBondContact O-CZ 3.34Å; G579-W596 PolarHBondContact N-O 3.48Å; G579-R597 CarbonylContact O-C 3.58Å; G579-R597 VanDerWaalsContact O-CA 3.31Å; G579-R597 WeakPolarHBondContact O-CA 3.49Å; G579-I598 PolarHBondContact O-N 3.14Å
580	D	98.3	Very high	96.8	Very high	54 Å²	54	61.9 Å²	61.9	29%	0.289	30%	0.297	S	S	.	.	S	Bend	trans	-95.6	-31.4	170.8	66.4	-74.6	0	0	0	112.5	T356 I598	T356-D580 PolarHBondContact OG1-N 3.38Å; T356-D580 PolarHBondContact OG1-OD1 3.3Å; D580-I598 WeakPolarHBondContact CA-O 3.47Å; D580-I598 WeakPolarHBondContact CB-O 3.42Å
581	G	96	Very high	96.9	Very high	19 Å²	19	62.2 Å²	62.2	20%	0.196	29%	0.292	C	S	.	.	S	Bend	trans	-70.4	169.1	-171.7	0	0	0	0	0	115.4	E584	G581-E584 VanDerWaalsContact C-CD 3.47Å; G581-E584 WeakPolarHBondContact CA-OE1 3.45Å; G581-E584 VanDerWaalsContact CA-OE2 3.26Å; G581-E584 WeakPolarHBondContact CA-OE2 3.45Å; G581-E584 PolarHBondContact N-OE1 2.78Å; G581-E584 VanDerWaalsContact N-OE1 3.09Å
582	V	96.9	Very high	97.3	Very high	91 Å²	91	58 Å²	58	55%	0.552	29%	0.287	S	S	*	.	H	α-helix	trans	-90.8	-16.5	178.6	-63.9	0	0	0	0	113.4	Q586	V582-Q586 WeakPolarHBondContact O-CB 3.31Å; V582-Q586 WeakPolarHBondContact O-CG 3.24Å; V582-Q586 PolarHBondContact O-N 3.02Å; V582-Q586 VanDerWaalsContact O-N 3.17Å; V582-Q586 PolarHBondContact O-NE2 2.99Å
583	E	97.3	Very high	97.6	Very high	74 Å²	74	49 Å²	49	35%	0.346	25%	0.248	S	C	.	.	H	α-helix	trans	-73.6	-47.7	-177.9	-170.1	-168.2	168.2	0	0	110.5	T526 G557 K558 Q586 A587	T526-E583 WeakPolarHBondContact CG2-OE2 3.14Å; G557-E583 WeakPolarHBondContact CA-OE1 3.35Å; K558-E583 HydrophobicContact CB-CG 4.17Å; K558-E583 HydrophobicContact CD-CB 4.23Å; K558-E583 HydrophobicContact CD-CG 4.28Å; K558-E583 HydrophobicContact CG-CG 4.22Å; K558-E583 PolarHBondContact N-OE1 3.32Å; E583-Q586 PolarHBondContact O-N 3.18Å; E583-A587 WeakPolarHBondContact O-CB 3.3Å; E583-A587 PolarHBondContact O-N 3.38Å
584	E	97.6	Very high	97.8	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.019	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-37.4	175.5	57	-91.8	-115	0	0	112.6	K558 F562 V577 G581 A588 F595	K558-E584 HydrophobicContact CD-CB 3.84Å; K558-E584 IonicContact NZ-OE1 3.7Å; K558-E584 PolarHBondContact NZ-OE1 2.94Å; K558-E584 IonicContact NZ-OE2 3.93Å; K558-E584 PolarHBondContact NZ-OE2 2.7Å; F562-E584 HydrophobicContact CZ-CB 4.04Å; V577-E584 HydrophobicContact CG1-CB 4.03Å; G581-E584 VanDerWaalsContact C-CD 3.47Å; G581-E584 WeakPolarHBondContact CA-OE1 3.45Å; G581-E584 VanDerWaalsContact CA-OE2 3.26Å; G581-E584 WeakPolarHBondContact CA-OE2 3.45Å; G581-E584 PolarHBondContact N-OE1 2.78Å; G581-E584 VanDerWaalsContact N-OE1 3.09Å; E584-A588 WeakPolarHBondContact O-CB 3.47Å; E584-A588 PolarHBondContact O-N 3.21Å; E584-F595 HydrophobicContact CB-CE2 4.2Å; E584-F595 HydrophobicContact CG-CE2 3.52Å; E584-F595 HydrophobicContact CG-CZ 3.82Å
585	E	98.4	Very high	97.9	Very high	67 Å²	67	51 Å²	51	31%	0.313	26%	0.258	S	S	.	.	H	α-helix	trans	-65.8	-43.4	175.4	-178	176.3	-132.2	0	0	110.7	K589 F595 R597	E585-K589 WeakPolarHBondContact O-CB 3.44Å; E585-K589 PolarHBondContact O-N 3.21Å; E585-F595 HydrophobicContact CB-CD1 3.81Å; E585-F595 HydrophobicContact CB-CD2 4.46Å; E585-F595 HydrophobicContact CB-CE1 3.65Å; E585-F595 HydrophobicContact CB-CE2 4.35Å; E585-F595 HydrophobicContact CB-CG 4.21Å; E585-F595 HydrophobicContact CB-CZ 3.94Å; E585-F595 HydrophobicContact CG-CD1 3.68Å; E585-F595 HydrophobicContact CG-CE1 3.95Å; E585-F595 HydrophobicContact CG-CG 4.21Å; E585-R597 VanDerWaalsContact CD-NH1 3.28Å; E585-R597 IonicContact OE1-CZ 2.72Å; E585-R597 IonicContact OE1-NH1 3.32Å; E585-R597 PolarHBondContact OE1-NH1 2.92Å; E585-R597 IonicContact OE1-NH2 3.52Å; E585-R597 IonicContact OE2-CZ 2.74Å; E585-R597 IonicContact OE2-NH1 3.71Å; E585-R597 PolarHBondContact OE2-NH1 2.97Å; E585-R597 IonicContact OE2-NH2 2.84Å; E585-R597 PolarHBondContact OE2-NH2 2.91Å
586	Q	98.2	Very high	97.9	Very high	128 Å²	128	53.9 Å²	53.9	60%	0.598	27%	0.269	S	S	*	.	H	α-helix	trans	-65.9	-43.4	178.1	-73	173	46.2	0	0	111.4	V582 E583 K590	V582-Q586 WeakPolarHBondContact O-CB 3.31Å; V582-Q586 WeakPolarHBondContact O-CG 3.24Å; V582-Q586 PolarHBondContact O-N 3.02Å; V582-Q586 VanDerWaalsContact O-N 3.17Å; V582-Q586 PolarHBondContact O-NE2 2.99Å; E583-Q586 PolarHBondContact O-N 3.18Å; Q586-K590 WeakPolarHBondContact O-CB 3.44Å; Q586-K590 PolarHBondContact O-N 3.12Å
587	A	97.8	Very high	97.9	Very high	3 Å²	3	57.7 Å²	57.7	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-47.7	174.3	0	0	0	0	0	112.2	E559 F562 E583 K589 K590 H591	E559-A587 HydrophobicContact CB-CB 3.97Å; E559-A587 HydrophobicContact CG-CB 4.33Å; F562-A587 HydrophobicContact CD2-CB 3.6Å; F562-A587 HydrophobicContact CE2-CB 3.55Å; F562-A587 HydrophobicContact CZ-CB 4.42Å; E583-A587 WeakPolarHBondContact O-CB 3.3Å; E583-A587 PolarHBondContact O-N 3.38Å; A587-K589 VanDerWaalsContact C-N 3.35Å; A587-K589 PolarHBondContact O-N 2.86Å; A587-K590 WeakPolarHBondContact O-CB 3.32Å; A587-K590 PolarHBondContact O-N 3.08Å; A587-H591 PolarHBondContact O-CD2 2.93Å; A587-H591 PolarHBondContact O-N 2.94Å; A587-H591 VanDerWaalsContact O-N 3.1Å
588	A	98.3	Very high	97.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.7	-49.3	176.7	0	0	0	0	0	110.9	F562 V577 E584 K590 H591 N592 M593 F595	F562-A588 HydrophobicContact CE2-CB 4.42Å; V577-A588 HydrophobicContact CB-CB 3.85Å; V577-A588 HydrophobicContact CG1-CB 4.17Å; V577-A588 HydrophobicContact CG2-CB 3.77Å; E584-A588 WeakPolarHBondContact O-CB 3.47Å; E584-A588 PolarHBondContact O-N 3.21Å; A588-K590 VanDerWaalsContact C-N 3.34Å; A588-K590 PolarHBondContact O-N 2.96Å; A588-H591 CarbonylContact O-C 3.55Å; A588-H591 PolarHBondContact O-N 3.37Å; A588-N592 PolarHBondContact O-N 3.33Å; A588-M593 HydrophobicContact CB-CB 4.1Å; A588-M593 PolarHBondContact O-N 3.03Å; A588-F595 HydrophobicContact CB-CB 4.16Å; A588-F595 HydrophobicContact CB-CD2 4.28Å
589	K	97.9	Very high	97.8	Very high	166 Å²	166	60.2 Å²	60.2	72%	0.722	30%	0.3	S	S	*	.	H	α-helix	trans	-59.8	-40.4	177.1	-174.4	175.3	-176.8	175.7	0	112.5	E585 A587 H591 N592	E585-K589 WeakPolarHBondContact O-CB 3.44Å; E585-K589 PolarHBondContact O-N 3.21Å; A587-K589 VanDerWaalsContact C-N 3.35Å; A587-K589 PolarHBondContact O-N 2.86Å; K589-H591 VanDerWaalsContact C-N 3.32Å; K589-H591 PolarHBondContact O-N 3.37Å; K589-N592 PolarHBondContact O-N 3.44Å
590	K	97.4	Very high	97.8	Very high	126 Å²	126	61.8 Å²	61.8	55%	0.548	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-37.4	176.9	-165.4	-174.8	-167.8	179.3	0	112.5	E559 Q586 A587 A588	E559-K590 VanDerWaalsContact CD-CD 3.4Å; E559-K590 HydrophobicContact CG-CD 4.13Å; E559-K590 IonicContact OE1-NZ 2.62Å; E559-K590 PolarHBondContact OE1-NZ 3.37Å; E559-K590 WeakPolarHBondContact OE2-CD 3.49Å; E559-K590 WeakPolarHBondContact OE2-CE 3.37Å; E559-K590 IonicContact OE2-NZ 2.69Å; E559-K590 PolarHBondContact OE2-NZ 2.86Å; Q586-K590 WeakPolarHBondContact O-CB 3.44Å; Q586-K590 PolarHBondContact O-N 3.12Å; A587-K590 WeakPolarHBondContact O-CB 3.32Å; A587-K590 PolarHBondContact O-N 3.08Å; A588-K590 VanDerWaalsContact C-N 3.34Å; A588-K590 PolarHBondContact O-N 2.96Å
591	H	96.4	Very high	97.8	Very high	34 Å²	34	60.6 Å²	60.6	16%	0.157	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	4.6	177.8	-60.1	-62.8	0	0	0	114.1	E559 E563 M566 A587 A588 K589 M593	E559-H591 WeakPolarHBondContact CG-NE2 3.03Å; E563-H591 IonicContact OE1-CE1 3.23Å; M566-H591 HydrophobicContact SD-CB 4.09Å; A587-H591 PolarHBondContact O-CD2 2.93Å; A587-H591 PolarHBondContact O-N 2.94Å; A587-H591 VanDerWaalsContact O-N 3.1Å; A588-H591 CarbonylContact O-C 3.55Å; A588-H591 PolarHBondContact O-N 3.37Å; K589-H591 VanDerWaalsContact C-N 3.32Å; K589-H591 PolarHBondContact O-N 3.37Å; H591-M593 VanDerWaalsContact C-N 3.26Å; H591-M593 HydrophobicContact CB-CE 3.91Å; H591-M593 HydrophobicContact CB-CG 4.01Å; H591-M593 HydrophobicContact CB-SD 4.36Å; H591-M593 PolarHBondContact O-N 3Å
592	N	97.3	Very high	97.9	Very high	148 Å²	148	63.4 Å²	63.4	79%	0.791	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	32.1	-175.9	-53.1	-89.1	0	0	0	114	A588 K589	A588-N592 PolarHBondContact O-N 3.33Å; K589-N592 PolarHBondContact O-N 3.44Å
593	M	97.9	Very high	97.9	Very high	16 Å²	16	61.3 Å²	61.3	8%	0.079	31%	0.306	C	S	.	.			trans	-83.2	133.3	173.4	-56.7	-178.1	175.5	0	0	110.2	F562 M566 Y575 V577 A588 H591 F595	F562-M593 HydrophobicContact CB-CE 4.32Å; F562-M593 HydrophobicContact CD2-SD 4.14Å; M566-M593 HydrophobicContact CE-CE 4.06Å; M566-M593 HydrophobicContact CG-CE 3.44Å; M566-M593 VanDerWaalsContact CG-CE 3.44Å; M566-M593 HydrophobicContact SD-CE 3.4Å; M566-M593 WeakPolarHBondContact SD-CE 3.49Å; Y575-M593 HydrophobicContact CD1-CE 4.35Å; Y575-M593 HydrophobicContact CD2-CE 4.29Å; Y575-M593 HydrophobicContact CG-CE 3.89Å; Y575-M593 HydrophobicContact CG-SD 4.34Å; V577-M593 HydrophobicContact CG2-CB 3.91Å; V577-M593 HydrophobicContact CG2-CG 4.38Å; V577-M593 HydrophobicContact CG2-SD 3.53Å; V577-M593 VanDerWaalsContact CG2-SD 3.53Å; A588-M593 HydrophobicContact CB-CB 4.1Å; A588-M593 PolarHBondContact O-N 3.03Å; H591-M593 VanDerWaalsContact C-N 3.26Å; H591-M593 HydrophobicContact CB-CE 3.91Å; H591-M593 HydrophobicContact CB-CG 4.01Å; H591-M593 HydrophobicContact CB-SD 4.36Å; H591-M593 PolarHBondContact O-N 3Å; M593-F595 PolarHBondContact O-N 3.49Å
594	P	98.1	Very high	98	Very high	75 Å²	75	57.8 Å²	57.8	49%	0.487	29%	0.29	S	S	.	.			trans	-51.9	131.3	164.2	-29	35.9	0	0	0	111.9	Y575 V577	Y575-P594 WeakPolarHBondContact O-CD 3.48Å; V577-P594 PolarHBondContact N-O 3.17Å
595	F	98.6	Very high	98	Very high	49 Å²	49	61.3 Å²	61.3	22%	0.215	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.5	177.8	-177	-112.6	0	0	0	110.4	V577 G579 E584 E585 A588 M593 R597	V577-F595 HydrophobicContact CB-CD2 3.95Å; V577-F595 HydrophobicContact CG1-CD2 3.78Å; V577-F595 HydrophobicContact CG1-CE2 4.01Å; V577-F595 CarbonylContact O-C 3.55Å; V577-F595 WeakPolarHBondContact O-CA 3.38Å; V577-F595 WeakPolarHBondContact O-CD2 3.36Å; G579-F595 VanDerWaalsContact O-CZ 3.25Å; G579-F595 WeakPolarHBondContact O-CZ 3.34Å; E584-F595 HydrophobicContact CB-CE2 4.2Å; E584-F595 HydrophobicContact CG-CE2 3.52Å; E584-F595 HydrophobicContact CG-CZ 3.82Å; E585-F595 HydrophobicContact CB-CD1 3.81Å; E585-F595 HydrophobicContact CB-CD2 4.46Å; E585-F595 HydrophobicContact CB-CE1 3.65Å; E585-F595 HydrophobicContact CB-CE2 4.35Å; E585-F595 HydrophobicContact CB-CG 4.21Å; E585-F595 HydrophobicContact CB-CZ 3.94Å; E585-F595 HydrophobicContact CG-CD1 3.68Å; E585-F595 HydrophobicContact CG-CE1 3.95Å; E585-F595 HydrophobicContact CG-CG 4.21Å; A588-F595 HydrophobicContact CB-CB 4.16Å; A588-F595 HydrophobicContact CB-CD2 4.28Å; M593-F595 PolarHBondContact O-N 3.49Å; F595-R597 HydrophobicContact CD1-CB 4.34Å; F595-R597 HydrophobicContact CE1-CB 3.78Å
596	W	98.6	Very high	98	Very high	71 Å²	71	59.9 Å²	59.9	27%	0.269	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	102.8	171.9	-168.4	-74.1	0	0	0	109.3	V577 I578 G579 I598 D603 A606 L607 A610 L616	V577-W596 PolarHBondContact O-N 3Å; I578-W596 WeakPolarHBondContact CA-O 3.5Å; I578-W596 HydrophobicContact CG1-CB 4.21Å; G579-W596 PolarHBondContact N-O 3.48Å; W596-I598 PolarHBondContact O-N 2.9Å; W596-D603 PolarHBondContact NE1-O 3.47Å; W596-A606 HydrophobicContact CZ2-CB 3.85Å; W596-L607 HydrophobicContact CD2-CD1 4.2Å; W596-L607 HydrophobicContact CG-CD1 4.28Å; W596-L607 HydrophobicContact CZ2-CB 4.1Å; W596-A610 HydrophobicContact CH2-CB 3.96Å; W596-A610 HydrophobicContact CZ3-CB 4.27Å; W596-L616 HydrophobicContact CD2-CD1 4.35Å; W596-L616 HydrophobicContact CE3-CD1 3.69Å; W596-L616 HydrophobicContact CH2-CD1 4.4Å; W596-L616 HydrophobicContact CZ3-CD1 3.71Å; W596-L616 HydrophobicContact CZ3-CG 4.44Å
597	R	98.5	Very high	98	Very high	86 Å²	86	53.8 Å²	53.8	33%	0.325	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	128.5	176.4	175.1	157.8	-83	112	-1	110.6	G579 E585 F595 S599	G579-R597 CarbonylContact O-C 3.58Å; G579-R597 VanDerWaalsContact O-CA 3.31Å; G579-R597 WeakPolarHBondContact O-CA 3.49Å; E585-R597 VanDerWaalsContact CD-NH1 3.28Å; E585-R597 IonicContact OE1-CZ 2.72Å; E585-R597 IonicContact OE1-NH1 3.32Å; E585-R597 PolarHBondContact OE1-NH1 2.92Å; E585-R597 IonicContact OE1-NH2 3.52Å; E585-R597 IonicContact OE2-CZ 2.74Å; E585-R597 IonicContact OE2-NH1 3.71Å; E585-R597 PolarHBondContact OE2-NH1 2.97Å; E585-R597 IonicContact OE2-NH2 2.84Å; E585-R597 PolarHBondContact OE2-NH2 2.91Å; F595-R597 HydrophobicContact CD1-CB 4.34Å; F595-R597 HydrophobicContact CE1-CB 3.78Å; R597-S599 WeakPolarHBondContact CD-OG 3.35Å; R597-S599 WeakPolarHBondContact CG-OG 3.35Å
598	I	98.6	Very high	98	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.285	C	S	.	.			trans	-95.9	133.4	160.5	-58.7	-56.1	0	0	0	108.2	T356 W502 I578 G579 D580 W596 D603 L604 L607	T356-I598 HydrophobicContact CG2-CG1 4.16Å; W502-I598 HydrophobicContact CH2-CG2 3.97Å; W502-I598 HydrophobicContact CZ2-CG2 3.67Å; I578-I598 HydrophobicContact CG2-CD1 4.26Å; I578-I598 HydrophobicContact CG2-CG1 3.77Å; G579-I598 PolarHBondContact O-N 3.14Å; D580-I598 WeakPolarHBondContact CA-O 3.47Å; D580-I598 WeakPolarHBondContact CB-O 3.42Å; W596-I598 PolarHBondContact O-N 2.9Å; I598-D603 HydrophobicContact CD1-CB 3.92Å; I598-L604 HydrophobicContact CD1-CD2 3.73Å; I598-L604 HydrophobicContact CD1-CG 4.1Å; I598-L604 HydrophobicContact CG1-CD2 4.1Å; I598-L604 HydrophobicContact CG2-CD2 4.22Å; I598-L604 HydrophobicContact CG2-CG 4.02Å; I598-L607 HydrophobicContact CD1-CD2 4.25Å
599	S	97.2	Very high	98	Very high	54 Å²	54	60.6 Å²	60.6	38%	0.378	31%	0.311	S	S	.	.			trans	-146.1	-6.9	173	-73	0	0	0	0	112.9	K371 R597 D603	K371-S599 PolarHBondContact NZ-O 2.7Å; R597-S599 WeakPolarHBondContact CD-OG 3.35Å; R597-S599 WeakPolarHBondContact CG-OG 3.35Å; S599-D603 WeakPolarHBondContact CA-OD2 3.43Å; S599-D603 PolarHBondContact N-OD2 3.01Å
600	S	97.9	Very high	97.9	Very high	32 Å²	32	53.2 Å²	53.2	22%	0.224	28%	0.28	C	S	.	.	S	Bend	trans	-160.2	166.4	-177.7	70.5	0	0	0	0	110.8	S602 D603	S600-S602 PolarHBondContact O-N 2.81Å; S600-S602 VanDerWaalsContact O-N 3.16Å; S600-S602 WeakPolarHBondContact OG-CB 3.23Å; S600-S602 PolarHBondContact OG-N 3.11Å; S600-D603 WeakPolarHBondContact CA-OD2 3.36Å; S600-D603 WeakPolarHBondContact CB-OD2 3.32Å; S600-D603 PolarHBondContact N-OD2 3.17Å; S600-D603 PolarHBondContact O-N 2.89Å; S600-D603 PolarHBondContact OG-OD2 3.45Å
601	H	98.3	Very high	97.9	Very high	29 Å²	29	47.2 Å²	47.2	13%	0.134	25%	0.254	C	S	.	.	H	α-helix	trans	-55.6	-29.2	169.6	-51.4	70.8	0	0	0	112.5	Y368 Y372 T499 W502 D603 L604 L605	Y368-H601 PolarHBondContact OH-CE1 3.15Å; Y368-H601 PolarHBondContact OH-NE2 2.56Å; Y368-H601 VanDerWaalsContact OH-NE2 3.16Å; Y372-H601 AromaticContact CE1-CE1 3.69Å; Y372-H601 AromaticContact CE1-ND1 3.65Å; Y372-H601 AromaticContact CZ-CE1 3.81Å; Y372-H601 AromaticContact CZ-ND1 3.86Å; T499-H601 PolarHBondContact O-NE2 3.22Å; W502-H601 AromaticContact CE3-CD2 3.8Å; W502-H601 AromaticContact CE3-CE1 3.62Å; W502-H601 AromaticContact CE3-CG 3.9Å; W502-H601 AromaticContact CE3-ND1 3.8Å; W502-H601 AromaticContact CE3-NE2 3.61Å; W502-H601 AromaticContact CZ3-CE1 3.94Å; W502-H601 AromaticContact CZ3-ND1 3.78Å; H601-D603 VanDerWaalsContact C-N 3.27Å; H601-D603 PolarHBondContact O-N 3.45Å; H601-L604 PolarHBondContact O-N 2.85Å; H601-L605 VanDerWaalsContact O-CG 3.28Å; H601-L605 WeakPolarHBondContact O-CG 3.39Å; H601-L605 PolarHBondContact O-N 3.28Å
602	S	98.2	Very high	97.8	Very high	79 Å²	79	51.4 Å²	51.4	55%	0.552	27%	0.274	S	S	*	.	H	α-helix	trans	-64.7	-32.4	178.7	-164.4	0	0	0	0	112.2	S600 L605 A606	S600-S602 PolarHBondContact O-N 2.81Å; S600-S602 VanDerWaalsContact O-N 3.16Å; S600-S602 WeakPolarHBondContact OG-CB 3.23Å; S600-S602 PolarHBondContact OG-N 3.11Å; S602-L605 PolarHBondContact O-N 3.47Å; S602-A606 VanDerWaalsContact O-CB 3.3Å; S602-A606 WeakPolarHBondContact O-CB 3.41Å; S602-A606 PolarHBondContact O-N 3.27Å
603	D	98.5	Very high	97.7	Very high	46 Å²	46	48.3 Å²	48.3	25%	0.246	26%	0.257	C	S	.	.	H	α-helix	trans	-78.2	-33.3	-178.1	-48	-55.6	0	0	0	111.3	W596 I598 S599 S600 H601 L607	W596-D603 PolarHBondContact NE1-O 3.47Å; I598-D603 HydrophobicContact CD1-CB 3.92Å; S599-D603 WeakPolarHBondContact CA-OD2 3.43Å; S599-D603 PolarHBondContact N-OD2 3.01Å; S600-D603 WeakPolarHBondContact CA-OD2 3.36Å; S600-D603 WeakPolarHBondContact CB-OD2 3.32Å; S600-D603 PolarHBondContact N-OD2 3.17Å; S600-D603 PolarHBondContact O-N 2.89Å; S600-D603 PolarHBondContact OG-OD2 3.45Å; H601-D603 VanDerWaalsContact C-N 3.27Å; H601-D603 PolarHBondContact O-N 3.45Å; D603-L607 VanDerWaalsContact O-CB 3.27Å; D603-L607 WeakPolarHBondContact O-CB 3.17Å; D603-L607 PolarHBondContact O-N 3.01Å
604	L	98	Very high	97.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.7	-39.9	169.9	-72.9	174.1	0	0	0	111.9	W502 N505 A506 I598 H601 L607 H608	W502-L604 HydrophobicContact CD2-CD1 3.86Å; W502-L604 HydrophobicContact CE3-CD1 4.46Å; W502-L604 HydrophobicContact CG-CD1 4.15Å; W502-L604 HydrophobicContact CH2-CD1 4.47Å; W502-L604 HydrophobicContact CZ2-CD1 3.88Å; N505-L604 HydrophobicContact CB-CB 4.46Å; A506-L604 HydrophobicContact CB-CD1 4.36Å; A506-L604 HydrophobicContact CB-CD2 4.09Å; I598-L604 HydrophobicContact CD1-CD2 3.73Å; I598-L604 HydrophobicContact CD1-CG 4.1Å; I598-L604 HydrophobicContact CG1-CD2 4.1Å; I598-L604 HydrophobicContact CG2-CD2 4.22Å; I598-L604 HydrophobicContact CG2-CG 4.02Å; H601-L604 PolarHBondContact O-N 2.85Å; L604-L607 PolarHBondContact O-N 3.34Å; L604-H608 WeakPolarHBondContact O-CB 3.45Å; L604-H608 PolarHBondContact O-N 2.99Å
605	L	97.8	Very high	96.9	Very high	79 Å²	79	59 Å²	59	41%	0.414	29%	0.294	S	S	.	.	H	α-helix	trans	-68.4	-40.3	175.7	-70.3	170.7	0	0	0	111.7	H601 S602 H608 Q609	H601-L605 VanDerWaalsContact O-CG 3.28Å; H601-L605 WeakPolarHBondContact O-CG 3.39Å; H601-L605 PolarHBondContact O-N 3.28Å; S602-L605 PolarHBondContact O-N 3.47Å; L605-H608 PolarHBondContact O-N 3.19Å; L605-Q609 WeakPolarHBondContact O-CB 3.31Å; L605-Q609 PolarHBondContact O-N 2.68Å
606	A	98.3	Very high	96.2	Very high	37 Å²	37	57.9 Å²	57.9	31%	0.306	29%	0.29	S	S	.	.	H	α-helix	trans	-65.5	-39.4	173.9	0	0	0	0	0	112.1	W596 S602 Q609 A610	W596-A606 HydrophobicContact CZ2-CB 3.85Å; S602-A606 VanDerWaalsContact O-CB 3.3Å; S602-A606 WeakPolarHBondContact O-CB 3.41Å; S602-A606 PolarHBondContact O-N 3.27Å; A606-Q609 PolarHBondContact O-N 3.35Å; A606-A610 VanDerWaalsContact O-CB 3.32Å; A606-A610 WeakPolarHBondContact O-CB 3.33Å; A606-A610 PolarHBondContact O-N 2.92Å
607	L	98.4	Very high	96	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-48	173.2	175.5	58.1	0	0	0	111.4	W351 I578 W596 I598 D603 L604 Q609 A610 L611 L616	W351-L607 HydrophobicContact CH2-CD2 3.55Å; W351-L607 HydrophobicContact CZ2-CD2 4.36Å; W351-L607 HydrophobicContact CZ3-CD2 3.93Å; I578-L607 HydrophobicContact CD1-CD1 4.3Å; I578-L607 HydrophobicContact CD1-CD2 4.02Å; I578-L607 HydrophobicContact CG2-CD2 4Å; W596-L607 HydrophobicContact CD2-CD1 4.2Å; W596-L607 HydrophobicContact CG-CD1 4.28Å; W596-L607 HydrophobicContact CZ2-CB 4.1Å; I598-L607 HydrophobicContact CD1-CD2 4.25Å; D603-L607 VanDerWaalsContact O-CB 3.27Å; D603-L607 WeakPolarHBondContact O-CB 3.17Å; D603-L607 PolarHBondContact O-N 3.01Å; L604-L607 PolarHBondContact O-N 3.34Å; L607-Q609 VanDerWaalsContact C-N 3.35Å; L607-Q609 PolarHBondContact O-N 2.95Å; L607-A610 PolarHBondContact O-N 3.34Å; L607-L611 HydrophobicContact CD1-CD1 4.07Å; L607-L611 HydrophobicContact CD1-CG 4.35Å; L607-L611 HydrophobicContact CG-CD1 4.11Å; L607-L611 WeakPolarHBondContact O-CG 3.25Å; L607-L611 PolarHBondContact O-N 3.35Å; L607-L616 HydrophobicContact CD1-CD1 3.5Å; L607-L616 VanDerWaalsContact CD1-CD1 3.5Å
608	H	97.8	Very high	95.9	Very high	30 Å²	30	55.7 Å²	55.7	14%	0.139	29%	0.29	C	S	.	.	H	α-helix	trans	-57.9	-45.7	176.7	172.4	19.3	0	0	0	111.7	K508 S509 I512 L604 L605 L611 E612	K508-H608 WeakPolarHBondContact CD-NE2 3.32Å; S509-H608 WeakPolarHBondContact OG-CA 3.33Å; S509-H608 WeakPolarHBondContact OG-CB 3.02Å; S509-H608 PolarHBondContact OG-N 3.25Å; I512-H608 WeakPolarHBondContact CD1-ND1 3.44Å; L604-H608 WeakPolarHBondContact O-CB 3.45Å; L604-H608 PolarHBondContact O-N 2.99Å; L605-H608 PolarHBondContact O-N 3.19Å; H608-L611 PolarHBondContact O-N 3.46Å; H608-E612 IonicContact CE1-OE1 3.66Å; H608-E612 PolarHBondContact CE1-OE1 2.66Å; H608-E612 IonicContact CE1-OE2 2.84Å; H608-E612 WeakPolarHBondContact O-CG 3.21Å; H608-E612 PolarHBondContact O-N 2.69Å
609	Q	97.7	Very high	95.8	Very high	116 Å²	116	58.8 Å²	58.8	54%	0.542	31%	0.306	S	S	.	.	H	α-helix	trans	-66.9	-39.8	177.5	-172.3	179.7	9.6	0	0	112.5	L605 A606 L607 L611 E612 L613	L605-Q609 WeakPolarHBondContact O-CB 3.31Å; L605-Q609 PolarHBondContact O-N 2.68Å; A606-Q609 PolarHBondContact O-N 3.35Å; L607-Q609 VanDerWaalsContact C-N 3.35Å; L607-Q609 PolarHBondContact O-N 2.95Å; Q609-L611 VanDerWaalsContact C-N 3.3Å; Q609-L611 PolarHBondContact O-N 2.95Å; Q609-E612 PolarHBondContact O-N 2.76Å; Q609-L613 HydrophobicContact CG-CD1 3.97Å; Q609-L613 HydrophobicContact CG-CG 4.46Å; Q609-L613 WeakPolarHBondContact O-CB 3.38Å; Q609-L613 WeakPolarHBondContact O-CG 3.32Å; Q609-L613 PolarHBondContact O-N 3.49Å
610	A	97.4	Very high	95.7	Very high	10 Å²	10	59.1 Å²	59.1	8%	0.083	30%	0.302	C	S	.	.	H	α-helix	trans	-66.4	-32.5	177.2	0	0	0	0	0	112.4	W596 A606 L607 E614 Y615 L616	W596-A610 HydrophobicContact CH2-CB 3.96Å; W596-A610 HydrophobicContact CZ3-CB 4.27Å; A606-A610 VanDerWaalsContact O-CB 3.32Å; A606-A610 WeakPolarHBondContact O-CB 3.33Å; A606-A610 PolarHBondContact O-N 2.92Å; L607-A610 PolarHBondContact O-N 3.34Å; A610-E614 PolarHBondContact O-N 3.5Å; A610-Y615 PolarHBondContact O-N 3.35Å; A610-L616 HydrophobicContact CB-CD1 3.78Å; A610-L616 HydrophobicContact CB-CG 3.99Å; A610-L616 PolarHBondContact O-N 3.34Å
611	L	96.9	Very high	95.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-69.3	-47.8	170.2	-71.9	164.1	0	0	0	111.6	F349 I512 I513 R516 L607 H608 Q609 L613 E614 L616	F349-L611 HydrophobicContact CE1-CD2 3.91Å; F349-L611 HydrophobicContact CZ-CD2 3.76Å; I512-L611 HydrophobicContact CD1-CB 4.37Å; I512-L611 HydrophobicContact CG2-CB 4.06Å; I513-L611 HydrophobicContact CD1-CD1 3.94Å; I513-L611 HydrophobicContact CD1-CD2 4.18Å; I513-L611 HydrophobicContact CG1-CD1 4.1Å; I513-L611 HydrophobicContact CG1-CD2 3.8Å; R516-L611 PolarHBondContact NH2-O 2.91Å; L607-L611 HydrophobicContact CD1-CD1 4.07Å; L607-L611 HydrophobicContact CD1-CG 4.35Å; L607-L611 HydrophobicContact CG-CD1 4.11Å; L607-L611 WeakPolarHBondContact O-CG 3.25Å; L607-L611 PolarHBondContact O-N 3.35Å; H608-L611 PolarHBondContact O-N 3.46Å; Q609-L611 VanDerWaalsContact C-N 3.3Å; Q609-L611 PolarHBondContact O-N 2.95Å; L611-L613 VanDerWaalsContact C-N 3.25Å; L611-L613 PolarHBondContact O-N 3Å; L611-E614 PolarHBondContact O-N 3.1Å; L611-E614 VanDerWaalsContact O-N 3.08Å; L611-L616 HydrophobicContact CD2-CB 3.8Å; L611-L616 HydrophobicContact CG-CB 4.21Å
612	E	94.9	Very high	95.3	Very high	122 Å²	122	62.9 Å²	62.9	57%	0.57	32%	0.318	S	S	*	.	H	α-helix	trans	-59.5	-33.2	177.7	-76.3	-168.4	147.8	0	0	113.5	I512 H608 Q609 E614	I512-E612 HydrophobicContact CD1-CG 3.61Å; H608-E612 IonicContact CE1-OE1 3.66Å; H608-E612 PolarHBondContact CE1-OE1 2.66Å; H608-E612 IonicContact CE1-OE2 2.84Å; H608-E612 WeakPolarHBondContact O-CG 3.21Å; H608-E612 PolarHBondContact O-N 2.69Å; Q609-E612 PolarHBondContact O-N 2.76Å; E612-E614 VanDerWaalsContact C-N 3.34Å
613	L	94.4	Very high	95.1	Very high	83 Å²	83	61.8 Å²	61.8	44%	0.435	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	6.7	178.2	-62.4	176.8	0	0	0	114	Q609 L611 Y615	Q609-L613 HydrophobicContact CG-CD1 3.97Å; Q609-L613 HydrophobicContact CG-CG 4.46Å; Q609-L613 WeakPolarHBondContact O-CB 3.38Å; Q609-L613 WeakPolarHBondContact O-CG 3.32Å; Q609-L613 PolarHBondContact O-N 3.49Å; L611-L613 VanDerWaalsContact C-N 3.25Å; L611-L613 PolarHBondContact O-N 3Å; L613-Y615 HydrophobicContact CB-CD1 4.16Å; L613-Y615 HydrophobicContact CB-CD2 4.03Å; L613-Y615 HydrophobicContact CB-CE1 3.96Å; L613-Y615 HydrophobicContact CB-CE2 3.83Å; L613-Y615 HydrophobicContact CB-CG 4.2Å; L613-Y615 HydrophobicContact CD1-CD2 4.44Å; L613-Y615 HydrophobicContact CD1-CE2 3.69Å; L613-Y615 HydrophobicContact CG-CE2 4.43Å; L613-Y615 VanDerWaalsContact O-CD1 3.28Å; L613-Y615 WeakPolarHBondContact O-CD1 3.43Å; L613-Y615 WeakPolarHBondContact O-CE1 3.42Å; L613-Y615 PolarHBondContact O-N 3.36Å; L613-Y615 VanDerWaalsContact O-N 3.16Å
614	E	89.6	Confident	94.9	Very high	145 Å²	145	63 Å²	63	68%	0.678	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	22.1	178.9	-37.8	-140.7	109	0	0	114.5	R516 A610 L611 E612 L616	R516-E614 IonicContact CZ-OE1 2.71Å; R516-E614 IonicContact NE-OE1 3.19Å; R516-E614 IonicContact NH2-OE1 3.79Å; R516-E614 PolarHBondContact NH2-OE1 3.35Å; A610-E614 PolarHBondContact O-N 3.5Å; L611-E614 PolarHBondContact O-N 3.1Å; L611-E614 VanDerWaalsContact O-N 3.08Å; E612-E614 VanDerWaalsContact C-N 3.34Å; E614-L616 VanDerWaalsContact C-N 3.27Å
615	Y	89.4	Confident	94.6	Very high	171 Å²	171	68.3 Å²	68.3	67%	0.671	33%	0.331	S	S	*	.			trans	-73	-26.5	170.6	-56.7	-20.1	0	0	0	111.1	A610 L613	A610-Y615 PolarHBondContact O-N 3.35Å; L613-Y615 HydrophobicContact CB-CD1 4.16Å; L613-Y615 HydrophobicContact CB-CD2 4.03Å; L613-Y615 HydrophobicContact CB-CE1 3.96Å; L613-Y615 HydrophobicContact CB-CE2 3.83Å; L613-Y615 HydrophobicContact CB-CG 4.2Å; L613-Y615 HydrophobicContact CD1-CD2 4.44Å; L613-Y615 HydrophobicContact CD1-CE2 3.69Å; L613-Y615 HydrophobicContact CG-CE2 4.43Å; L613-Y615 VanDerWaalsContact O-CD1 3.28Å; L613-Y615 WeakPolarHBondContact O-CD1 3.43Å; L613-Y615 WeakPolarHBondContact O-CE1 3.42Å; L613-Y615 PolarHBondContact O-N 3.36Å; L613-Y615 VanDerWaalsContact O-N 3.16Å
616	L	83.1	Confident	94.3	Very high	26 Å²	26	67.3 Å²	67.3	14%	0.136	32%	0.323	C	S	.	.			trans	-118.9	0	174.9	-68	179.7	0	0	0	112.2	R347 F349 R516 W596 L607 A610 L611 E614	R347-L616 WeakPolarHBondContact CD-OXT 3.31Å; R347-L616 VanDerWaalsContact CZ-OXT 3.26Å; R347-L616 PolarHBondContact NE-OXT 3.26Å; R347-L616 VanDerWaalsContact NH1-C 3.32Å; R347-L616 PolarHBondContact NH1-OXT 3.21Å; F349-L616 HydrophobicContact CE1-CB 4.37Å; F349-L616 WeakPolarHBondContact CZ-OXT 3.41Å; R516-L616 PolarHBondContact NH1-O 2.93Å; W596-L616 HydrophobicContact CD2-CD1 4.35Å; W596-L616 HydrophobicContact CE3-CD1 3.69Å; W596-L616 HydrophobicContact CH2-CD1 4.4Å; W596-L616 HydrophobicContact CZ3-CD1 3.71Å; W596-L616 HydrophobicContact CZ3-CG 4.44Å; L607-L616 HydrophobicContact CD1-CD1 3.5Å; L607-L616 VanDerWaalsContact CD1-CD1 3.5Å; A610-L616 HydrophobicContact CB-CD1 3.78Å; A610-L616 HydrophobicContact CB-CG 3.99Å; A610-L616 PolarHBondContact O-N 3.34Å; L611-L616 HydrophobicContact CD2-CB 3.8Å; L611-L616 HydrophobicContact CG-CB 4.21Å; E614-L616 VanDerWaalsContact C-N 3.27Å

Retrieved 616 of 616 residues in 359 ms (Link to these results)

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