A0A087YN98_POEFO Loading...

Androgen receptor

AlphaFold DB , UniProt , Accession A0A087YN98, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 755 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	27.4	Very low	31.2	Very low	235 Å²	235	143.5 Å²	143.5	100%	1.158	79%	0.79	S	S	*	*				0	126	0	-58.3	171.8	82.9	0	0	106.5
2	S	30	Very low	30.8	Very low	94 Å²	94	141.3 Å²	141.3	66%	0.657	79%	0.793	S	S	*	*			cis	-153.8	140.4	-8.2	-69.5	0	0	0	0	107.8
3	Q	35.4	Very low	30.6	Very low	184 Å²	184	140.5 Å²	140.5	86%	0.86	79%	0.793	S	S	*	*				49.8	139.7	105.2	-53	-174.7	-7.5	0	0	115.4
4	T	34.4	Very low	30.3	Very low	122 Å²	122	147.4 Å²	147.4	75%	0.748	80%	0.801	S	S	*	*			cis	-135.9	150.5	22.9	42.8	0	0	0	0	112.1
5	S	35.8	Very low	30.1	Very low	93 Å²	93	144.6 Å²	144.6	65%	0.65	80%	0.796	S	S	*	*				66.5	132.1	61.8	155.6	0	0	0	0	113.9
6	R	32	Very low	29.7	Very low	211 Å²	211	140.4 Å²	140.4	80%	0.796	80%	0.796	S	S	*	*			cis	-161.1	153.6	6.2	-108.7	172.3	178.6	162.2	0.1	109.4
7	Q	34.4	Very low	29.6	Very low	155 Å²	155	140 Å²	140	72%	0.724	80%	0.797	S	S	*	*				49.5	148.7	91.8	-75.7	-173.9	-34.2	0	0	116.5
8	L	28.6	Very low	29.5	Very low	144 Å²	144	142.9 Å²	142.9	75%	0.754	80%	0.8	S	S	*	*			cis	-158.9	-177.3	13.4	-127.6	164.9	0	0	0	112.1
9	S	29.2	Very low	29.4	Very low	100 Å²	100	144.5 Å²	144.5	70%	0.699	80%	0.797	S	S	*	*			trans	-97.3	162.4	177	56.7	0	0	0	0	114.3
10	C	26.5	Very low	29.3	Very low	130 Å²	130	143.8 Å²	143.8	88%	0.878	79%	0.79	S	S	*	*			trans	-161.5	172.2	141.8	-143.6	0	0	0	0	114.2
11	S	29.9	Very low	29.2	Very low	110 Å²	110	146 Å²	146	77%	0.769	79%	0.792	S	S	*	*			trans	-120.4	160.8	-178.3	56.2	0	0	0	0	112.3
12	S	26.2	Very low	29.2	Very low	118 Å²	118	139.9 Å²	139.9	83%	0.825	78%	0.779	S	S	*	*			trans	-159.4	154.7	163.4	64.6	0	0	0	0	113.2
13	V	28.3	Very low	28.9	Very low	131 Å²	131	138.6 Å²	138.6	79%	0.794	78%	0.781	S	S	*	*			trans	-147.4	122.2	175.9	167.3	0	0	0	0	108.2
14	W	26.1	Very low	28.5	Very low	237 Å²	237	137.9 Å²	137.9	90%	0.898	78%	0.783	S	S	*	*			trans	176.5	137	135	-108	-3.3	0	0	0	116.4
15	S	27.8	Very low	28.2	Very low	105 Å²	105	136.4 Å²	136.4	73%	0.734	78%	0.783	S	S	*	*				52.6	125.4	126.4	-52.6	0	0	0	0	123.1
16	G	23.7	Very low	28	Very low	77 Å²	77	138.7 Å²	138.7	79%	0.794	79%	0.793	S	S	*	*			trans	-152.1	119.5	155.9	0	0	0	0	0	112.2
17	V	27.6	Very low	27.8	Very low	134 Å²	134	139.5 Å²	139.5	81%	0.812	80%	0.795	S	S	*	*			trans	-144.8	129.1	-176.4	173.7	0	0	0	0	111.2
18	K	27.1	Very low	27.6	Very low	193 Å²	193	136 Å²	136	84%	0.839	79%	0.793	S	S	*	*			trans	169.3	155.4	161	-97.1	149.8	-176	179.4	0	110.1
19	K	29.1	Very low	27.6	Very low	173 Å²	173	136.2 Å²	136.2	75%	0.752	79%	0.794	S	S	*	*			cis	-174.5	152.3	-28.9	-123.4	-172.7	165.3	-174.4	0	110.2
20	I	27.3	Very low	27.8	Very low	129 Å²	129	134.7 Å²	134.7	66%	0.662	79%	0.794	S	S	*	*			trans	80.5	110	143.5	-72.8	175.1	0	0	0	122.1
21	K	26.1	Very low	28	Very low	192 Å²	192	137 Å²	137	84%	0.835	79%	0.794	S	S	*	*				65.7	147.5	127.5	-68	-168.8	171.3	-168.3	0	125.9
22	A	26.7	Very low	27.9	Very low	106 Å²	106	136.1 Å²	136.1	88%	0.876	79%	0.794	S	S	*	*			trans	83.1	132.8	149.1	0	0	0	0	0	117.7
23	G	25.6	Very low	28.2	Very low	67 Å²	67	138.7 Å²	138.7	69%	0.691	79%	0.793	S	S	*	*			cis	-175	176.2	-4.7	0	0	0	0	0	114
24	D	26	Very low	28.1	Very low	169 Å²	169	142.5 Å²	142.5	90%	0.904	80%	0.799	S	S	*	*			trans	13.3	136.7	153.2	-51.6	-28.1	0	0	0	119.6
25	A	29.2	Very low	28.4	Very low	91 Å²	91	135.6 Å²	135.6	75%	0.752	78%	0.783	S	S	*	*			cis	-157.7	-148.9	-1.5	0	0	0	0	0	108
26	V	29.7	Very low	28.4	Very low	141 Å²	141	139 Å²	139	86%	0.855	79%	0.787	S	S	*	*			cis	-146.2	176.2	15.6	-174.8	0	0	0	0	109.7
27	R	27.8	Very low	28.5	Very low	227 Å²	227	143.8 Å²	143.8	86%	0.857	79%	0.789	S	S	*	*			trans	-75.1	175.6	172.1	-67.7	171.5	179.6	158.2	-0.7	111.9
28	A	30.4	Very low	28.3	Very low	81 Å²	81	144.5 Å²	144.5	67%	0.669	79%	0.788	S	S	*	*			cis	-155.6	142.2	30.2	0	0	0	0	0	113.9
29	L	30.1	Very low	29.3	Very low	149 Å²	149	140.1 Å²	140.1	78%	0.78	78%	0.779	S	S	*	*				56.6	137.5	108.9	-72.8	106.3	0	0	0	117.8
30	G	32.5	Very low	29	Very low	68 Å²	68	138.9 Å²	138.9	70%	0.701	79%	0.786	S	S	*	*			cis	144.6	174.1	-12.6	0	0	0	0	0	116.2
31	M	29.8	Very low	28.9	Very low	178 Å²	178	136.1 Å²	136.1	88%	0.877	79%	0.79	S	S	*	*			trans	72.8	153.7	169.6	-59.3	-62.3	176.1	0	0	117.1
32	A	28.2	Very low	29.1	Very low	93 Å²	93	137.1 Å²	137.1	77%	0.769	79%	0.794	S	S	*	*			cis	-134.9	147.3	6.4	0	0	0	0	0	113.7
33	Q	32.5	Very low	29.1	Very low	172 Å²	172	138.8 Å²	138.8	80%	0.804	79%	0.794	S	S	*	*			trans	-97.5	162.9	159.8	-63.5	171.6	-68	0	0	110
34	K	27.2	Very low	29.1	Very low	211 Å²	211	145.4 Å²	145.4	92%	0.917	80%	0.804	S	S	*	*				-154.4	159.1	126.6	-115.8	173.4	-175.9	-175.8	0	112.3
35	T	31	Very low	29.1	Very low	92 Å²	92	143.1 Å²	143.1	56%	0.564	80%	0.801	S	S	*	*			trans	-138.9	151.6	-160.4	-24.1	0	0	0	0	109.4
36	E	28.2	Very low	28.9	Very low	175 Å²	175	144.7 Å²	144.7	82%	0.818	81%	0.805	S	S	*	*			trans	64.4	154.6	152.8	-83.9	157.3	159.6	0	0	117.2
37	E	26.8	Very low	28.9	Very low	178 Å²	178	143.1 Å²	143.1	83%	0.832	81%	0.807	S	S	*	*			cis	-133.3	171.4	6.5	-67.3	-175	107.2	0	0	113
38	N	23.8	Very low	28.9	Very low	150 Å²	150	135.5 Å²	135.5	80%	0.802	80%	0.799	S	S	*	*			trans	-21.4	174.6	145.5	-91	-24.8	0	0	0	119.1
39	P	47	Very low	28.8	Very low	100 Å²	100	140 Å²	140	65%	0.649	81%	0.812	S	S	*	*			cis	-143.4	-164.1	-37.5	40.5	-21.2	0	0	0	113.1
40	V	24.1	Very low	28.7	Very low	147 Å²	147	136.3 Å²	136.3	89%	0.891	81%	0.81	S	S	*	*			trans	71.6	139.8	158.2	174.6	0	0	0	0	118.8
41	G	24	Very low	28.4	Very low	72 Å²	72	143.6 Å²	143.6	74%	0.742	82%	0.816	S	S	*	*			trans	163.7	100.6	160.6	0	0	0	0	0	116.4
42	F	31.4	Very low	28.3	Very low	212 Å²	212	142.4 Å²	142.4	93%	0.93	81%	0.806	S	S	*	*			trans	-81.6	142.7	166.3	-93.8	-98	0	0	0	111.5
43	T	24.9	Very low	28.3	Very low	142 Å²	142	144.3 Å²	144.3	87%	0.871	80%	0.804	S	S	*	*			trans	-142.3	153	151.2	45.1	0	0	0	0	112.1
44	K	27.1	Very low	28.1	Very low	205 Å²	205	144 Å²	144	89%	0.891	80%	0.802	S	S	*	*			trans	-104.2	157	169.3	-62.4	174.7	176.3	178	0	109.1
45	S	24.6	Very low	28.3	Very low	122 Å²	122	137.9 Å²	137.9	85%	0.853	79%	0.786	S	S	*	*				164.8	175.3	112.5	-157.3	0	0	0	0	111.5
46	C	26.4	Very low	28.3	Very low	123 Å²	123	139.9 Å²	139.9	83%	0.831	79%	0.793	S	S	*	*			trans	-116.7	-179.2	-165.2	-55.7	0	0	0	0	114.3
47	A	29.7	Very low	28.5	Very low	109 Å²	109	137.3 Å²	137.3	90%	0.901	79%	0.785	S	S	*	*			trans	82.4	141	172.7	0	0	0	0	0	117.1
48	G	26.8	Very low	28.6	Very low	67 Å²	67	135.5 Å²	135.5	69%	0.691	78%	0.781	S	S	*	*			cis	176.4	165.4	-7.5	0	0	0	0	0	114.8
49	N	29.5	Very low	28.9	Very low	175 Å²	175	131.9 Å²	131.9	94%	0.936	77%	0.772	S	S	*	*			trans	35.1	119.8	164.6	-59	0.6	0	0	0	119.1
50	G	27.9	Very low	28.1	Very low	71 Å²	71	138.7 Å²	138.7	73%	0.732	79%	0.785	S	S	*	*			cis	120.7	159.1	45.3	0	0	0	0	0	110.6
51	R	26.1	Very low	28.4	Very low	221 Å²	221	136.7 Å²	136.7	83%	0.834	78%	0.777	S	S	*	*			trans	171.7	144.3	155.6	-99.4	179.4	-177.2	-116.7	-2.4	112.4
52	F	26.8	Very low	28.5	Very low	153 Å²	153	139.1 Å²	139.1	67%	0.671	78%	0.781	S	S	*	*			trans	23.5	148.3	148.8	-53.8	-63.4	0	0	0	120.7
53	D	27.9	Very low	28.3	Very low	134 Å²	134	132.7 Å²	132.7	72%	0.717	78%	0.775	S	S	*	*			cis	-168.5	-170.2	-4.2	-103.2	-16.4	0	0	0	108.2
54	E	29	Very low	28.6	Very low	165 Å²	165	132 Å²	132	77%	0.771	78%	0.776	S	S	*	*			cis	-155.7	174.3	12	-144	-164.5	95.4	0	0	113.2
55	S	31.8	Very low	28.6	Very low	82 Å²	82	125.8 Å²	125.8	57%	0.573	77%	0.77	S	S	*	*			trans	21.3	144.2	152.1	61.5	0	0	0	0	127.8
56	D	30.3	Very low	28.8	Very low	134 Å²	134	125.6 Å²	125.6	72%	0.717	77%	0.767	S	S	*	*			trans	90	101.7	130.1	-87.3	39.2	0	0	0	127.7
57	N	32.8	Very low	28.8	Very low	122 Å²	122	126.5 Å²	126.5	65%	0.652	77%	0.769	S	S	*	*				81.1	128.8	113.5	-89.9	-41.1	0	0	0	126.1
58	N	29.5	Very low	28.8	Very low	140 Å²	140	128.3 Å²	128.3	75%	0.749	76%	0.763	S	S	*	*			trans	72.1	102.8	141.3	-83.9	-37.3	0	0	0	125.2
59	A	30.1	Very low	30.3	Very low	74 Å²	74	130.6 Å²	130.6	61%	0.612	77%	0.766	S	S	*	*				77.9	123.7	104.6	0	0	0	0	0	124.7
60	R	30.5	Very low	31.1	Very low	242 Å²	242	128.4 Å²	128.4	91%	0.913	76%	0.762	S	S	*	*			trans	61.4	135.7	136.8	-59.4	174.7	177.9	-170	0.1	118.6
61	S	29.3	Very low	31.1	Very low	105 Å²	105	129.2 Å²	129.2	73%	0.734	76%	0.761	S	S	*	*				174.3	171.5	52.9	-161.7	0	0	0	0	112.2
62	C	26.3	Very low	31.2	Very low	123 Å²	123	130.8 Å²	130.8	83%	0.831	77%	0.767	S	S	*	*			trans	67.5	142.2	166.1	-57.6	0	0	0	0	116.9
63	G	27.5	Very low	31.3	Very low	77 Å²	77	130.8 Å²	130.8	79%	0.794	77%	0.774	S	S	*	*			cis	112	143.6	10	0	0	0	0	0	110.9
64	S	31.3	Very low	31.4	Very low	127 Å²	127	131.4 Å²	131.4	89%	0.888	78%	0.775	S	S	*	*			cis	-161.6	166.4	3	-176.4	0	0	0	0	109.2
65	G	26.6	Very low	31.3	Very low	75 Å²	75	131.2 Å²	131.2	77%	0.773	77%	0.774	S	S	*	*			trans	165.7	116.5	170.1	0	0	0	0	0	116
66	C	28.1	Very low	31.3	Very low	118 Å²	118	131.3 Å²	131.3	80%	0.797	78%	0.78	S	S	*	*			trans	-115	146.7	-179.2	-48.1	0	0	0	0	112.1
67	V	27.9	Very low	31.3	Very low	142 Å²	142	136.2 Å²	136.2	86%	0.861	79%	0.788	S	S	*	*			trans	-151.1	141.7	145.5	-178.5	0	0	0	0	108.9
68	N	27.9	Very low	31	Very low	147 Å²	147	135.4 Å²	135.4	79%	0.786	79%	0.791	S	S	*	*			trans	-110.6	-155.2	175	-71.7	-42.2	0	0	0	111.6
69	P	58.8	Low	31.1	Very low	116 Å²	116	133.3 Å²	133.3	75%	0.753	79%	0.786	S	S	*	*				-108.6	-163.6	-109.5	36.8	-17.8	0	0	0	112.5
70	P	45.7	Very low	31.3	Very low	129 Å²	129	137.6 Å²	137.6	84%	0.838	79%	0.793	S	S	*	*				-143.2	165.4	91.4	38.9	-24.6	0	0	0	115
71	A	28.6	Very low	31.2	Very low	88 Å²	88	131.9 Å²	131.9	73%	0.727	79%	0.786	S	S	*	*			trans	-102.8	164.4	175.3	0	0	0	0	0	112.7
72	R	29.5	Very low	31.2	Very low	253 Å²	253	131.1 Å²	131.1	96%	0.955	79%	0.786	S	S	*	*			trans	-135	153.7	148.5	-88.8	-165.6	168.2	-164.7	-4.4	109
73	D	28.6	Very low	31.2	Very low	154 Å²	154	130 Å²	130	82%	0.824	79%	0.785	S	S	*	*			trans	-149.4	178.7	-155.9	-157.5	-13.6	0	0	0	110.3
74	M	29.4	Very low	31.5	Very low	147 Å²	147	130.6 Å²	130.6	72%	0.724	78%	0.783	S	S	*	*			trans	75.7	133.3	-179.4	-56.4	-177.3	76.7	0	0	114.6
75	E	26.8	Very low	32	Very low	160 Å²	160	130.1 Å²	130.1	75%	0.748	78%	0.777	S	S	*	*			cis	-146.8	144.1	-2.7	-99.7	161.5	138	0	0	107.5
76	A	31.2	Very low	32.1	Very low	85 Å²	85	134.2 Å²	134.2	70%	0.702	78%	0.776	S	S	*	*				61.9	128.5	65	0	0	0	0	0	113.1
77	R	31	Very low	32.1	Very low	237 Å²	237	136.2 Å²	136.2	89%	0.894	77%	0.773	S	S	*	*			cis	-140.4	-177.4	4.8	-60.7	-179.6	175.7	159.3	-0.6	107.7
78	C	27.1	Very low	32.2	Very low	104 Å²	104	137.3 Å²	137.3	70%	0.703	77%	0.769	S	S	*	*			cis	-162.5	137.4	23.6	-156	0	0	0	0	111.9
79	C	31.2	Very low	32.2	Very low	96 Å²	96	136.6 Å²	136.6	65%	0.649	77%	0.765	S	S	*	*			trans	35.3	150.2	141.5	-59.2	0	0	0	0	122.7
80	Q	34.5	Very low	30.8	Very low	164 Å²	164	137.7 Å²	137.7	77%	0.766	76%	0.763	S	S	*	*			cis	-170.8	-178.1	-7.5	-110.5	161.3	-26.8	0	0	106.5
81	T	28.8	Very low	29.9	Very low	122 Å²	122	138.5 Å²	138.5	75%	0.748	76%	0.761	S	S	*	*			cis	-156.2	169.9	14.7	-15.7	0	0	0	0	111.8
82	A	28.9	Very low	29.8	Very low	89 Å²	89	138.8 Å²	138.8	74%	0.736	76%	0.763	S	S	*	*			trans	-1.1	158.6	141.9	0	0	0	0	0	122.6
83	A	26.8	Very low	29.7	Very low	99 Å²	99	134 Å²	134	82%	0.818	76%	0.756	S	S	*	*			cis	-172.9	170.8	-14.9	0	0	0	0	0	111
84	A	32.3	Very low	29.7	Very low	91 Å²	91	132 Å²	132	75%	0.752	75%	0.75	S	S	*	*			trans	-99.8	163.8	161.8	0	0	0	0	0	110.8
85	P	41.7	Very low	29.7	Very low	116 Å²	116	136.2 Å²	136.2	75%	0.753	76%	0.758	S	S	*	*				-154.5	163.3	108.3	39.2	-21.2	0	0	0	118.5
86	Q	29.3	Very low	29.6	Very low	162 Å²	162	133.8 Å²	133.8	76%	0.757	76%	0.758	S	S	*	*			trans	60.5	111.8	141.7	-72.8	-171.7	-82.2	0	0	125.4
87	E	28.5	Very low	29.4	Very low	160 Å²	160	140 Å²	140	75%	0.748	77%	0.77	S	S	*	*				68.2	154.5	107.3	-70.7	-177.8	131.5	0	0	126.4
88	E	29.5	Very low	29.4	Very low	165 Å²	165	134 Å²	134	77%	0.771	77%	0.765	S	S	*	*			trans	83	98.7	159.9	-62.3	-133.6	116.8	0	0	123
89	L	27.9	Very low	29.5	Very low	132 Å²	132	133.7 Å²	133.7	69%	0.691	77%	0.769	S	S	*	*				91.2	126.4	122	-103.5	69.5	0	0	0	125
90	L	29.2	Very low	29.6	Very low	138 Å²	138	134.9 Å²	134.9	72%	0.723	78%	0.777	S	S	*	*			trans	93.4	113.2	145.8	-63.3	175.2	0	0	0	123.1
91	N	26.6	Very low	29.7	Very low	147 Å²	147	131.3 Å²	131.3	79%	0.786	78%	0.776	S	S	*	*			trans	77.6	121.9	138	-64.5	-10.2	0	0	0	122.8
92	A	27.7	Very low	30.7	Very low	94 Å²	94	132.1 Å²	132.1	78%	0.777	78%	0.781	S	S	*	*			trans	-2.5	142.8	151.9	0	0	0	0	0	119
93	D	26.4	Very low	31.7	Very low	152 Å²	152	133.5 Å²	133.5	81%	0.813	78%	0.775	S	S	*	*				-157.8	-171.3	55.4	-143.4	-41.7	0	0	0	115.1
94	T	29.5	Very low	33.7	Very low	113 Å²	113	131.7 Å²	131.7	69%	0.693	76%	0.756	S	S	*	*			trans	-74.8	128.9	-163.9	-44.6	0	0	0	0	115
95	R	28	Very low	34.7	Very low	234 Å²	234	133.4 Å²	133.4	88%	0.883	75%	0.748	S	S	*	*				162.9	148.9	125.3	-89.9	163.9	-174.6	175.4	3.4	116.2
96	S	26.6	Very low	35.6	Very low	109 Å²	109	132.3 Å²	132.3	76%	0.762	74%	0.74	S	S	*	*			trans	55.9	98.4	146.7	-166.1	0	0	0	0	119.6
97	F	25.5	Very low	36.6	Very low	215 Å²	215	126.1 Å²	126.1	94%	0.943	72%	0.716	S	S	*	*			trans	-77.3	131.4	151.6	-85.9	-88	0	0	0	110.4
98	S	31.3	Very low	38.1	Very low	113 Å²	113	123.7 Å²	123.7	79%	0.79	70%	0.7	S	S	*	*			trans	-126.7	117.7	161.1	-176.9	0	0	0	0	108.2
99	A	28.9	Very low	39.8	Very low	96 Å²	96	121.5 Å²	121.5	79%	0.793	69%	0.69	S	S	*	*			trans	-132	97.1	176.9	0	0	0	0	0	108.1	A101	A99-A101 PolarHBondContact O-N 3.49Å
100	C	33.2	Very low	41.3	Very low	121 Å²	121	120.5 Å²	120.5	82%	0.818	69%	0.685	S	S	*	*			trans	-77.3	114.8	177.9	-171	0	0	0	0	109.4	T102	C100-T102 PolarHBondContact O-N 3.35Å
101	A	36.6	Very low	42.6	Very low	89 Å²	89	117.8 Å²	117.8	74%	0.736	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-74.1	120.6	171.9	0	0	0	0	0	109.7	A99 I103	A99-A101 PolarHBondContact O-N 3.49Å; A101-I103 PolarHBondContact O-N 3.28Å
102	T	50.4	Low	44.1	Very low	140 Å²	140	118.5 Å²	118.5	86%	0.859	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-71.6	122.7	178.8	35.9	0	0	0	0	111.3	C100	C100-T102 PolarHBondContact O-N 3.35Å
103	I	50.4	Low	45.5	Very low	117 Å²	117	116.6 Å²	116.6	60%	0.6	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-71.2	130.6	178.7	-62.1	174.2	0	0	0	109.6	A101 A107 R108	A101-I103 PolarHBondContact O-N 3.28Å; I103-A107 HydrophobicContact CG2-CB 3.51Å; I103-R108 PolarHBondContact O-NH2 2.79Å
104	S	68.1	Low	47.1	Very low	61 Å²	61	113.2 Å²	113.2	43%	0.427	64%	0.637	S	S	.	*	P	Polyproline II helix	trans	-58.9	155.9	-177.4	70.8	0	0	0	0	112.8	T106 A107 R108	S104-T106 VanDerWaalsContact C-N 3.26Å; S104-T106 PolarHBondContact O-N 3.23Å; S104-T106 PolarHBondContact OG-OG1 3.45Å; S104-A107 PolarHBondContact O-N 3.19Å; S104-A107 WeakPolarHBondContact OG-CB 3.43Å; S104-A107 PolarHBondContact OG-N 3.03Å; S104-R108 PolarHBondContact O-N 3.01Å; S104-R108 VanDerWaalsContact O-N 3.07Å
105	E	53.1	Low	48.9	Very low	127 Å²	127	110.2 Å²	110.2	59%	0.593	62%	0.621	S	S	*	*	H	α-helix	trans	-49.7	-50.1	173.3	-141.7	86.7	-90.8	0	0	111	A107 R108 E109	E105-A107 PolarHBondContact O-N 3.25Å; E105-R108 WeakPolarHBondContact O-CA 3.35Å; E105-R108 VanDerWaalsContact O-CB 3.29Å; E105-R108 WeakPolarHBondContact O-CB 3.3Å; E105-R108 PolarHBondContact O-N 3.24Å; E105-R108 IonicContact OE1-CZ 3.34Å; E105-R108 IonicContact OE1-NH1 2.63Å; E105-R108 PolarHBondContact OE1-NH1 3.17Å; E105-R108 IonicContact OE1-NH2 3.27Å; E105-R108 PolarHBondContact OE1-NH2 2.72Å; E105-E109 PolarHBondContact O-N 2.92Å
106	T	60.1	Low	50.7	Low	94 Å²	94	103.7 Å²	103.7	58%	0.577	61%	0.607	S	S	*	*	H	α-helix	trans	-59.4	-43.4	179.8	41.1	0	0	0	0	113.4	S104 R108 E109 L110	S104-T106 VanDerWaalsContact C-N 3.26Å; S104-T106 PolarHBondContact O-N 3.23Å; S104-T106 PolarHBondContact OG-OG1 3.45Å; T106-R108 VanDerWaalsContact C-N 3.28Å; T106-R108 PolarHBondContact O-N 2.94Å; T106-E109 PolarHBondContact O-N 3.43Å; T106-L110 WeakPolarHBondContact O-CB 3.4Å; T106-L110 VanDerWaalsContact O-CG 3.3Å; T106-L110 WeakPolarHBondContact O-CG 3.47Å; T106-L110 PolarHBondContact O-N 3.18Å
107	A	50.3	Low	51.9	Low	31 Å²	31	103.5 Å²	103.5	26%	0.256	61%	0.606	S	S	.	*	H	α-helix	trans	-67.2	-32	176.3	0	0	0	0	0	111.7	I103 S104 E105 C111	I103-A107 HydrophobicContact CG2-CB 3.51Å; S104-A107 PolarHBondContact O-N 3.19Å; S104-A107 WeakPolarHBondContact OG-CB 3.43Å; S104-A107 PolarHBondContact OG-N 3.03Å; E105-A107 PolarHBondContact O-N 3.25Å; A107-C111 PolarHBondContact O-N 3.02Å; A107-C111 PolarHBondContact O-SG 2.86Å
108	R	60	Low	53.6	Low	110 Å²	110	98.9 Å²	98.9	42%	0.415	59%	0.59	S	S	.	*	H	α-helix	trans	-69.3	-38.9	175	-145.1	179.1	-50.2	123.3	17.8	112.2	I103 S104 E105 T106 R112	I103-R108 PolarHBondContact O-NH2 2.79Å; S104-R108 PolarHBondContact O-N 3.01Å; S104-R108 VanDerWaalsContact O-N 3.07Å; E105-R108 WeakPolarHBondContact O-CA 3.35Å; E105-R108 VanDerWaalsContact O-CB 3.29Å; E105-R108 WeakPolarHBondContact O-CB 3.3Å; E105-R108 PolarHBondContact O-N 3.24Å; E105-R108 IonicContact OE1-CZ 3.34Å; E105-R108 IonicContact OE1-NH1 2.63Å; E105-R108 PolarHBondContact OE1-NH1 3.17Å; E105-R108 IonicContact OE1-NH2 3.27Å; E105-R108 PolarHBondContact OE1-NH2 2.72Å; T106-R108 VanDerWaalsContact C-N 3.28Å; T106-R108 PolarHBondContact O-N 2.94Å; R108-R112 WeakPolarHBondContact O-CG 3.43Å; R108-R112 PolarHBondContact O-N 2.96Å; R108-R112 VanDerWaalsContact O-N 3.13Å
109	E	65.4	Low	54.3	Low	119 Å²	119	96.4 Å²	96.4	56%	0.556	58%	0.582	S	S	*	*	H	α-helix	trans	-71.1	-39.2	174.2	-66.6	-162.9	140.3	0	0	112.6	E105 T106 C111 R112 A113	E105-E109 PolarHBondContact O-N 2.92Å; T106-E109 PolarHBondContact O-N 3.43Å; E109-C111 PolarHBondContact O-N 3.08Å; E109-R112 WeakPolarHBondContact O-CB 3.27Å; E109-R112 PolarHBondContact O-N 3.21Å; E109-R112 VanDerWaalsContact O-N 3.15Å; E109-A113 WeakPolarHBondContact O-CB 3.44Å; E109-A113 PolarHBondContact O-N 3.13Å
110	L	60.5	Low	55.5	Low	110 Å²	110	97.7 Å²	97.7	58%	0.576	58%	0.575	S	S	*	*	H	α-helix	trans	-59.4	-45.4	171.4	-73.8	168.4	0	0	0	111.2	T106 R112 A113 V114	T106-L110 WeakPolarHBondContact O-CB 3.4Å; T106-L110 VanDerWaalsContact O-CG 3.3Å; T106-L110 WeakPolarHBondContact O-CG 3.47Å; T106-L110 PolarHBondContact O-N 3.18Å; L110-R112 VanDerWaalsContact C-N 3.31Å; L110-R112 PolarHBondContact O-N 3.41Å; L110-A113 PolarHBondContact O-N 2.97Å; L110-V114 WeakPolarHBondContact O-CB 3.45Å; L110-V114 VanDerWaalsContact O-CG2 3.31Å; L110-V114 WeakPolarHBondContact O-CG2 3.32Å; L110-V114 PolarHBondContact O-N 3.01Å
111	C	55.5	Low	56	Low	82 Å²	82	96.8 Å²	96.8	55%	0.554	57%	0.566	S	S	*	*	H	α-helix	trans	-59.1	-38.5	173.8	-72.7	0	0	0	0	112.8	A107 E109 S115	A107-C111 PolarHBondContact O-N 3.02Å; A107-C111 PolarHBondContact O-SG 2.86Å; E109-C111 PolarHBondContact O-N 3.08Å; C111-S115 WeakPolarHBondContact O-CB 3.45Å; C111-S115 PolarHBondContact O-N 3.27Å; C111-S115 PolarHBondContact O-OG 3.1Å
112	R	59.5	Low	56.2	Low	161 Å²	161	101.1 Å²	101.1	61%	0.608	57%	0.573	S	S	*	*	H	α-helix	trans	-65.8	-49.6	174.3	-74.2	171.2	172.1	168.2	-5	111.4	R108 E109 L110 V114 S115 V116	R108-R112 WeakPolarHBondContact O-CG 3.43Å; R108-R112 PolarHBondContact O-N 2.96Å; R108-R112 VanDerWaalsContact O-N 3.13Å; E109-R112 WeakPolarHBondContact O-CB 3.27Å; E109-R112 PolarHBondContact O-N 3.21Å; E109-R112 VanDerWaalsContact O-N 3.15Å; L110-R112 VanDerWaalsContact C-N 3.31Å; L110-R112 PolarHBondContact O-N 3.41Å; R112-V114 VanDerWaalsContact C-N 3.33Å; R112-V114 PolarHBondContact O-N 2.84Å; R112-S115 PolarHBondContact O-N 2.87Å; R112-S115 VanDerWaalsContact O-N 3.13Å; R112-V116 WeakPolarHBondContact O-CG2 3.29Å; R112-V116 PolarHBondContact O-N 3.15Å
113	A	55.4	Low	55.5	Low	55 Å²	55	103.4 Å²	103.4	46%	0.455	57%	0.574	S	S	.	*	H	α-helix	trans	-61	-40.9	-179.6	0	0	0	0	0	112.3	E109 L110 S117	E109-A113 WeakPolarHBondContact O-CB 3.44Å; E109-A113 PolarHBondContact O-N 3.13Å; L110-A113 PolarHBondContact O-N 2.97Å; A113-S117 VanDerWaalsContact O-CB 3.3Å; A113-S117 WeakPolarHBondContact O-CB 3.46Å; A113-S117 PolarHBondContact O-N 2.7Å; A113-S117 PolarHBondContact O-OG 3.49Å
114	V	60.1	Low	54.7	Low	80 Å²	80	102.4 Å²	102.4	49%	0.485	58%	0.578	S	S	.	*	H	α-helix	trans	-64.7	-43.7	172.6	169.9	0	0	0	0	111.3	L110 R112 V116 S117 L118	L110-V114 WeakPolarHBondContact O-CB 3.45Å; L110-V114 VanDerWaalsContact O-CG2 3.31Å; L110-V114 WeakPolarHBondContact O-CG2 3.32Å; L110-V114 PolarHBondContact O-N 3.01Å; R112-V114 VanDerWaalsContact C-N 3.33Å; R112-V114 PolarHBondContact O-N 2.84Å; V114-V116 PolarHBondContact O-N 3.36Å; V114-S117 CarbonylContact O-C 3.19Å; V114-S117 PolarHBondContact O-N 3.49Å; V114-L118 HydrophobicContact CG1-CD1 3.71Å; V114-L118 HydrophobicContact CG1-CG 4.32Å; V114-L118 WeakPolarHBondContact O-CB 3.24Å; V114-L118 VanDerWaalsContact O-CG 3.27Å; V114-L118 WeakPolarHBondContact O-CG 3.47Å; V114-L118 PolarHBondContact O-N 3.38Å
115	S	66.9	Low	52.8	Low	51 Å²	51	105.3 Å²	105.3	36%	0.357	60%	0.598	S	S	.	*	H	α-helix	trans	-64.5	-38.9	179.5	-57.9	0	0	0	0	112.8	C111 R112 L118 G119 L120	C111-S115 WeakPolarHBondContact O-CB 3.45Å; C111-S115 PolarHBondContact O-N 3.27Å; C111-S115 PolarHBondContact O-OG 3.1Å; R112-S115 PolarHBondContact O-N 2.87Å; R112-S115 VanDerWaalsContact O-N 3.13Å; S115-L118 PolarHBondContact O-N 3.24Å; S115-G119 PolarHBondContact O-N 3.28Å; S115-L120 PolarHBondContact O-N 3.21Å
116	V	66.1	Low	52	Low	97 Å²	97	106.4 Å²	106.4	59%	0.588	61%	0.608	S	S	*	*	H	α-helix	trans	-65.4	-45.3	172.2	172.9	0	0	0	0	110.6	R112 V114 L118 G119 T121	R112-V116 WeakPolarHBondContact O-CG2 3.29Å; R112-V116 PolarHBondContact O-N 3.15Å; V114-V116 PolarHBondContact O-N 3.36Å; V116-L118 PolarHBondContact O-N 3.13Å; V116-G119 PolarHBondContact O-N 3.47Å; V116-T121 HydrophobicContact CG2-CG2 3.97Å
117	S	51.8	Low	50.5	Low	105 Å²	105	110.3 Å²	110.3	73%	0.734	62%	0.622	S	S	*	*	H	α-helix	trans	-65.3	-21.1	178.5	-58.2	0	0	0	0	113.9	A113 V114	A113-S117 VanDerWaalsContact O-CB 3.3Å; A113-S117 WeakPolarHBondContact O-CB 3.46Å; A113-S117 PolarHBondContact O-N 2.7Å; A113-S117 PolarHBondContact O-OG 3.49Å; V114-S117 CarbonylContact O-C 3.19Å; V114-S117 PolarHBondContact O-N 3.49Å
118	L	61.5	Low	49.6	Very low	117 Å²	117	112.9 Å²	112.9	61%	0.613	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-4.1	174	-68.5	172.5	0	0	0	113.5	V114 S115 V116 L120	V114-L118 HydrophobicContact CG1-CD1 3.71Å; V114-L118 HydrophobicContact CG1-CG 4.32Å; V114-L118 WeakPolarHBondContact O-CB 3.24Å; V114-L118 VanDerWaalsContact O-CG 3.27Å; V114-L118 WeakPolarHBondContact O-CG 3.47Å; V114-L118 PolarHBondContact O-N 3.38Å; S115-L118 PolarHBondContact O-N 3.24Å; V116-L118 PolarHBondContact O-N 3.13Å; L118-L120 HydrophobicContact CB-CD1 3.89Å; L118-L120 HydrophobicContact CB-CG 3.9Å; L118-L120 HydrophobicContact CD1-CD1 4.21Å
119	G	47.6	Very low	48.1	Very low	61 Å²	61	114.5 Å²	114.5	63%	0.629	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.5	28.4	-179.9	0	0	0	0	0	114.5	S115 V116	S115-G119 PolarHBondContact O-N 3.28Å; V116-G119 PolarHBondContact O-N 3.47Å
120	L	53.1	Low	46.6	Very low	124 Å²	124	114.5 Å²	114.5	65%	0.649	66%	0.663	S	S	*	*			trans	-98.2	20.6	-172.9	-60.4	177	0	0	0	113.9	S115 L118 M122	S115-L120 PolarHBondContact O-N 3.21Å; L118-L120 HydrophobicContact CB-CD1 3.89Å; L118-L120 HydrophobicContact CB-CG 3.9Å; L118-L120 HydrophobicContact CD1-CD1 4.21Å; L120-M122 PolarHBondContact O-N 3.35Å
121	T	42.8	Very low	45	Very low	101 Å²	101	116.4 Å²	116.4	62%	0.62	67%	0.673	S	S	*	*			trans	-75.3	103.7	-178.7	49.5	0	0	0	0	111.5	V116	V116-T121 HydrophobicContact CG2-CG2 3.97Å
122	M	41.1	Very low	43.8	Very low	180 Å²	180	116.5 Å²	116.5	89%	0.887	68%	0.68	S	S	*	*			trans	-89.4	129.9	162.7	-157.7	174.6	86.8	0	0	108.4	L120 S124	L120-M122 PolarHBondContact O-N 3.35Å; M122-S124 PolarHBondContact O-N 2.94Å
123	E	35.9	Very low	42.3	Very low	188 Å²	188	113.9 Å²	113.9	88%	0.879	69%	0.693	S	S	*	*			trans	-69.6	121.1	179.5	-65	179.6	129.7	0	0	110.4
124	S	33.5	Very low	41	Very low	97 Å²	97	119.5 Å²	119.5	68%	0.678	71%	0.714	S	S	*	*			trans	-90.8	105.8	175.4	53.4	0	0	0	0	110.5	M122 D126	M122-S124 PolarHBondContact O-N 2.94Å; S124-D126 PolarHBondContact O-N 3.27Å
125	S	29.7	Very low	40.2	Very low	121 Å²	121	120.7 Å²	120.7	85%	0.846	72%	0.724	S	S	*	*			trans	-76.8	100.2	169.4	56.7	0	0	0	0	110.3
126	D	34.3	Very low	38.7	Very low	150 Å²	150	124 Å²	124	80%	0.802	74%	0.744	S	S	*	*			trans	-79.2	121.1	-179	-72.2	-37.1	0	0	0	112.6	S124	S124-D126 PolarHBondContact O-N 3.27Å
127	M	30.5	Very low	36.7	Very low	177 Å²	177	125.2 Å²	125.2	87%	0.872	76%	0.755	S	S	*	*			trans	-164.7	132.8	171.6	-164.6	-177.3	88.7	0	0	108
128	S	31.1	Very low	35.5	Very low	84 Å²	84	125.1 Å²	125.1	59%	0.587	76%	0.761	S	S	*	*			cis	-165.7	158	-13.2	51.5	0	0	0	0	108.5
129	D	28.1	Very low	33.9	Very low	145 Å²	145	124.1 Å²	124.1	78%	0.775	77%	0.769	S	S	*	*			trans	-179.1	123.5	140.8	-88.1	-19.9	0	0	0	107.4
130	V	32.8	Very low	33	Very low	119 Å²	119	127.9 Å²	127.9	72%	0.721	78%	0.775	S	S	*	*				74.4	121.2	65	175.9	0	0	0	0	110.1
131	D	28.1	Very low	31.9	Very low	149 Å²	149	129.8 Å²	129.8	80%	0.797	79%	0.786	S	S	*	*			cis	-151	169.7	29	-151.1	-6.5	0	0	0	116.1
132	A	29.6	Very low	31.2	Very low	84 Å²	84	132.3 Å²	132.3	69%	0.694	79%	0.791	S	S	*	*			trans	55.5	106.7	146.4	0	0	0	0	0	123.5
133	A	28.1	Very low	30.6	Very low	107 Å²	107	130.8 Å²	130.8	88%	0.884	79%	0.785	S	S	*	*				-168.1	160.9	124.2	0	0	0	0	0	112.2
134	L	29.3	Very low	30.1	Very low	172 Å²	172	127 Å²	127	90%	0.901	78%	0.779	S	S	*	*			trans	-100.6	159.2	-172.8	-77.7	167.9	0	0	0	114.4
135	P	42.8	Very low	29.8	Very low	106 Å²	106	125.6 Å²	125.6	69%	0.688	78%	0.78	S	S	*	*			trans	-88.6	177.4	-173.7	38.4	-38.8	0	0	0	114
136	P	35.9	Very low	29.8	Very low	120 Å²	120	128.5 Å²	128.5	78%	0.779	78%	0.78	S	S	*	*				-146.2	140.9	104.4	37.8	-22.8	0	0	0	117.8
137	C	23.1	Very low	29.5	Very low	122 Å²	122	130.4 Å²	130.4	82%	0.824	78%	0.778	S	S	*	*			trans	25.1	125.4	137.1	-54.9	0	0	0	0	124
138	A	27.5	Very low	29.4	Very low	103 Å²	103	131 Å²	131	85%	0.851	78%	0.775	S	S	*	*				75.1	109	119.6	0	0	0	0	0	123.2
139	A	28	Very low	29.2	Very low	96 Å²	96	135 Å²	135	79%	0.793	78%	0.783	S	S	*	*				-153.1	124	127.7	0	0	0	0	0	105.3
140	N	28.5	Very low	29.2	Very low	141 Å²	141	131 Å²	131	75%	0.754	78%	0.775	S	S	*	*			cis	63.2	95.6	48.9	-137.2	63.1	0	0	0	113
141	D	28.5	Very low	29	Very low	164 Å²	164	131.7 Å²	131.7	88%	0.877	78%	0.78	S	S	*	*			trans	-150.4	165.8	133.5	-121	-28.2	0	0	0	111
142	Q	28.9	Very low	28.8	Very low	153 Å²	153	132.4 Å²	132.4	72%	0.715	78%	0.783	S	S	*	*			trans	-141.5	176.3	-149.5	-154.1	177.1	32.6	0	0	113.4
143	I	28.1	Very low	29	Very low	148 Å²	148	133 Å²	133	76%	0.759	79%	0.788	S	S	*	*			trans	77.7	137.7	166.1	-52.8	149.5	0	0	0	113.6
144	S	26.5	Very low	28.9	Very low	110 Å²	110	133.1 Å²	133.1	77%	0.769	79%	0.789	S	S	*	*			cis	-133.4	160.8	0.2	-123.7	0	0	0	0	108.7
145	G	27.4	Very low	28.9	Very low	67 Å²	67	129.4 Å²	129.4	69%	0.691	78%	0.783	S	S	*	*				98.8	132	57	0	0	0	0	0	109.7
146	E	28	Very low	28.1	Very low	181 Å²	181	130.9 Å²	130.9	85%	0.846	79%	0.79	S	S	*	*			cis	-149.8	172.2	5.8	-70	-168.8	106	0	0	113.5
147	Y	28.5	Very low	27.6	Very low	191 Å²	191	130.2 Å²	130.2	75%	0.749	79%	0.788	S	S	*	*			trans	-39.8	153.4	176.4	-56.7	-91.5	0	0	0	117.8
148	F	27.6	Very low	27.9	Very low	188 Å²	188	129.9 Å²	129.9	83%	0.825	79%	0.786	S	S	*	*				-165.5	159.8	81.9	-115.7	-96.4	0	0	0	117
149	F	28.1	Very low	28.8	Very low	170 Å²	170	131.1 Å²	131.1	75%	0.746	79%	0.786	S	S	*	*			trans	-38.4	165.5	176.9	-77	-108	0	0	0	119.7
150	G	27.6	Very low	28.9	Very low	60 Å²	60	134.1 Å²	134.1	62%	0.619	79%	0.788	S	S	*	*			cis	-167.8	148.3	2.2	0	0	0	0	0	111.4
151	V	29.2	Very low	29	Very low	134 Å²	134	132.4 Å²	132.4	81%	0.812	79%	0.794	S	S	*	*				61.2	108.7	89.4	-177.4	0	0	0	0	114.3
152	D	24.6	Very low	29.1	Very low	164 Å²	164	133.1 Å²	133.1	88%	0.877	79%	0.792	S	S	*	*			trans	-150.9	155.4	134.4	-142.4	-22	0	0	0	110.2
153	A	33	Very low	28.9	Very low	95 Å²	95	133.1 Å²	133.1	79%	0.785	80%	0.802	S	S	*	*			trans	-154.7	140.3	-173.4	0	0	0	0	0	114.4
154	A	25.5	Very low	28.9	Very low	110 Å²	110	134.4 Å²	134.4	91%	0.909	81%	0.805	S	S	*	*			trans	-146.8	150.4	171.4	0	0	0	0	0	111.6
155	A	28.9	Very low	28.9	Very low	95 Å²	95	136.2 Å²	136.2	79%	0.785	81%	0.805	S	S	*	*			trans	-124.7	-149.9	-178.7	0	0	0	0	0	110.8
156	V	27.1	Very low	28.7	Very low	136 Å²	136	137.6 Å²	137.6	82%	0.824	80%	0.8	S	S	*	*			trans	82.7	131.5	177.3	-178.2	0	0	0	0	114.1
157	S	24.5	Very low	28.5	Very low	106 Å²	106	138.4 Å²	138.4	74%	0.741	80%	0.797	S	S	*	*			cis	-165.2	166.1	-16.3	-98.3	0	0	0	0	111
158	C	29.4	Very low	28.3	Very low	116 Å²	116	139.5 Å²	139.5	78%	0.784	80%	0.799	S	S	*	*			trans	-80.6	168.5	164.5	-57.8	0	0	0	0	112.5
159	P	46.6	Very low	28.6	Very low	129 Å²	129	136.3 Å²	136.3	84%	0.838	80%	0.799	S	S	*	*				-139.9	162.5	116.4	39.1	-28.4	0	0	0	115.3
160	D	31.5	Very low	28.9	Very low	158 Å²	158	133.5 Å²	133.5	85%	0.845	80%	0.798	S	S	*	*			trans	-87.9	160.2	-178.1	-64.3	-79.8	0	0	0	115.7
161	A	29.6	Very low	28.8	Very low	106 Å²	106	137.5 Å²	137.5	88%	0.876	81%	0.805	S	S	*	*			trans	-152	149.5	145	0	0	0	0	0	110.7
162	Q	30.1	Very low	28.7	Very low	179 Å²	179	140.5 Å²	140.5	84%	0.836	80%	0.802	S	S	*	*			trans	-111.6	153.7	-164.7	-60.2	165.7	-27.5	0	0	114
163	T	25.8	Very low	28.8	Very low	152 Å²	152	138.7 Å²	138.7	93%	0.933	79%	0.788	S	S	*	*				-163.2	153.1	127.1	4.9	0	0	0	0	112.1
164	Q	27.3	Very low	28.4	Very low	176 Å²	176	142.6 Å²	142.6	82%	0.822	79%	0.79	S	S	*	*			trans	-107.9	156.7	177.5	-63.8	175.1	-25.7	0	0	111
165	I	25.9	Very low	28.5	Very low	147 Å²	147	148.3 Å²	148.3	75%	0.754	79%	0.788	S	S	*	*				164.7	119.6	123.4	-85.6	159.8	0	0	0	111.9
166	T	23.8	Very low	29.3	Very low	97 Å²	97	149 Å²	149	60%	0.595	79%	0.785	S	S	*	*			trans	18.7	138.8	136	-9.6	0	0	0	0	119.1
167	Y	25.1	Very low	29.3	Very low	198 Å²	198	148.1 Å²	148.1	78%	0.776	78%	0.779	S	S	*	*			cis	-146.7	134.3	36.1	-80.9	-95.5	0	0	0	111.8
168	R	23.5	Very low	29.6	Very low	214 Å²	214	152.2 Å²	152.2	81%	0.808	79%	0.786	S	S	*	*				59.4	107.7	89.9	-176	-173.4	-77.7	-170.9	-4.3	115.6
169	C	34	Very low	29.5	Very low	121 Å²	121	150.1 Å²	150.1	82%	0.818	78%	0.784	S	S	*	*			trans	-77.3	153.1	154.3	-60.4	0	0	0	0	111.4
170	P	33.9	Very low	28.6	Very low	111 Å²	111	153.7 Å²	153.7	72%	0.721	79%	0.79	S	S	*	*			trans	-123.5	118.1	156.2	34.4	-21.3	0	0	0	112.9
171	D	26.5	Very low	28.6	Very low	143 Å²	143	155.7 Å²	155.7	77%	0.765	79%	0.791	S	S	*	*				14.3	129.1	126.8	-81.3	-61.1	0	0	0	121.5
172	R	26.5	Very low	29.5	Very low	197 Å²	197	156.3 Å²	156.3	74%	0.743	79%	0.786	S	S	*	*				86.8	149.4	112.1	-169.6	175.5	163	160.3	0.7	121.6
173	E	25.5	Very low	29.5	Very low	126 Å²	126	152.2 Å²	152.2	59%	0.589	78%	0.783	S	S	*	*			trans	80.7	126.9	155.8	-94.8	151.2	-172.2	0	0	124.3
174	E	24.9	Very low	29.5	Very low	178 Å²	178	151 Å²	151	83%	0.832	78%	0.775	S	S	*	*			trans	77.3	153.1	134.7	-83	176	-173.9	0	0	125.9
175	R	27.8	Very low	29.6	Very low	229 Å²	229	151.8 Å²	151.8	86%	0.864	78%	0.776	S	S	*	*			trans	-96	-168.5	167.1	-50.1	172.9	167.5	170.7	-3.8	108.2
176	P	45.6	Very low	29.8	Very low	111 Å²	111	151.6 Å²	151.6	72%	0.721	77%	0.773	S	S	*	*			cis	-134.4	-161.1	-16.2	21	6.7	0	0	0	113.5
177	V	27.6	Very low	29.9	Very low	116 Å²	116	155.4 Å²	155.4	70%	0.703	78%	0.778	S	S	*	*			trans	95.6	104.6	148.4	-170.7	0	0	0	0	121.8
178	H	30.6	Very low	30	Very low	192 Å²	192	154.4 Å²	154.4	89%	0.889	78%	0.778	S	S	*	*			trans	52.8	138.4	136.7	-66	-3.3	0	0	0	126.6
179	G	26.8	Very low	30.1	Very low	72 Å²	72	148.5 Å²	148.5	74%	0.742	77%	0.769	S	S	*	*			trans	123.5	141.7	139.5	0	0	0	0	0	115.8
180	Q	27.6	Very low	29.8	Very low	204 Å²	204	146.8 Å²	146.8	95%	0.953	76%	0.758	S	S	*	*			cis	-148.3	-178	-14.4	-88.5	-159.5	4.5	0	0	110.7
181	K	33	Very low	29.5	Very low	200 Å²	200	149 Å²	149	87%	0.87	76%	0.759	S	S	*	*			trans	-87	178.3	-174.3	-93.4	176.4	-177.4	175.6	0	112.9
182	P	47.7	Very low	29.6	Very low	120 Å²	120	148.4 Å²	148.4	78%	0.779	76%	0.761	S	S	*	*			cis	-152.7	-156	36.7	45.6	-22	0	0	0	118.7
183	A	29.1	Very low	30.7	Very low	93 Å²	93	144.4 Å²	144.4	77%	0.769	76%	0.76	S	S	*	*			trans	78	110.6	-178.7	0	0	0	0	0	115.8
184	V	26.7	Very low	30.8	Very low	127 Å²	127	142.2 Å²	142.2	77%	0.77	76%	0.764	S	S	*	*			cis	99.6	90.1	20.4	-173.8	0	0	0	0	115.7
185	K	28.8	Very low	31	Very low	192 Å²	192	141.5 Å²	141.5	84%	0.835	76%	0.76	S	S	*	*				-173.2	116.2	129.1	-96.9	163.7	-176	179.3	0	107
186	M	30.4	Very low	30.9	Very low	142 Å²	142	138.2 Å²	138.2	70%	0.7	75%	0.753	S	S	*	*				67.6	127.6	76.9	-80.7	-179.3	160.8	0	0	113.1
187	Y	27.1	Very low	30.1	Very low	178 Å²	178	140 Å²	140	70%	0.698	75%	0.751	S	S	*	*			cis	-144.6	140.6	14.7	-119.7	-81.5	0	0	0	112.8
188	K	25.7	Very low	30	Very low	177 Å²	177	141.7 Å²	141.7	77%	0.77	75%	0.751	S	S	*	*			trans	19.9	162.5	148.3	-68.7	-170.7	179.6	-170.4	0	122.6
189	S	26.5	Very low	29.8	Very low	90 Å²	90	140 Å²	140	63%	0.629	75%	0.748	S	S	*	*			cis	-179.5	152.2	-22	-91.9	0	0	0	0	105.9
190	S	27.4	Very low	29.8	Very low	84 Å²	84	140.4 Å²	140.4	59%	0.587	74%	0.744	S	S	*	*				66.8	136.2	55.6	118.1	0	0	0	0	112.6
191	E	27.4	Very low	29.8	Very low	158 Å²	158	136.2 Å²	136.2	74%	0.738	74%	0.737	S	S	*	*			cis	-164.3	136.2	2.8	-112.5	150.1	143.2	0	0	112.5
192	T	28.8	Very low	29.6	Very low	130 Å²	130	131.7 Å²	131.7	80%	0.798	73%	0.731	S	S	*	*			trans	51.3	-163	143.7	68.7	0	0	0	0	118.7
193	P	48.8	Very low	28.6	Very low	113 Å²	113	136.9 Å²	136.9	73%	0.734	74%	0.735	S	S	*	*				-132.8	166.1	-117.4	37.4	-14.8	0	0	0	119.3
194	A	28.7	Very low	28.5	Very low	80 Å²	80	138.1 Å²	138.1	66%	0.661	73%	0.733	S	S	*	*			trans	58.3	122.9	152.4	0	0	0	0	0	121.4
195	H	29.1	Very low	28.6	Very low	163 Å²	163	136.9 Å²	136.9	76%	0.755	73%	0.73	S	S	*	*				178.7	157.5	101.5	-107.5	-82.9	0	0	0	115.7
196	F	26.1	Very low	28.6	Very low	161 Å²	161	133.4 Å²	133.4	71%	0.706	72%	0.724	S	S	*	*			trans	59.3	112.4	156	-79.4	-71.1	0	0	0	124.1
197	H	28.3	Very low	28.5	Very low	148 Å²	148	133.8 Å²	133.8	69%	0.685	73%	0.729	S	S	*	*				39.6	137.2	128.4	-69.8	-138.6	0	0	0	121.1
198	H	25.7	Very low	28.7	Very low	151 Å²	151	128.8 Å²	128.8	70%	0.699	73%	0.725	S	S	*	*				178.8	148.9	65.1	-116.2	-75.3	0	0	0	111.6
199	L	25.9	Very low	28.9	Very low	157 Å²	157	129.3 Å²	129.3	82%	0.822	73%	0.73	S	S	*	*			trans	57.1	159.1	148.7	-63.3	163	0	0	0	120.7
200	A	26.4	Very low	29.1	Very low	80 Å²	80	131.5 Å²	131.5	66%	0.661	74%	0.735	S	S	*	*			cis	-171	160.2	-27.4	0	0	0	0	0	114.5
201	S	27.5	Very low	29.1	Very low	116 Å²	116	136.6 Å²	136.6	81%	0.811	75%	0.747	S	S	*	*			trans	85.3	164	138	-152.4	0	0	0	0	122.4
202	S	28.7	Very low	29	Very low	106 Å²	106	134.8 Å²	134.8	74%	0.741	75%	0.747	S	S	*	*			trans	75.6	137.6	177	73.6	0	0	0	0	117.3
203	R	27.9	Very low	29.1	Very low	229 Å²	229	134.7 Å²	134.7	86%	0.864	75%	0.748	S	S	*	*			cis	-160	142.5	1.4	-123.8	173.3	-174.6	171.9	0.4	112.6
204	T	27.5	Very low	27.8	Very low	119 Å²	119	134.5 Å²	134.5	73%	0.73	75%	0.748	S	S	*	*			trans	23.4	149.4	136.2	57	0	0	0	0	122.8
205	S	27.3	Very low	27.6	Very low	100 Å²	100	139.9 Å²	139.9	70%	0.699	76%	0.76	S	S	*	*			cis	176.2	-178.3	-6.2	54.4	0	0	0	0	113
206	V	28.8	Very low	27.6	Very low	119 Å²	119	135.8 Å²	135.8	72%	0.721	75%	0.754	S	S	*	*			trans	91.6	114.1	146.5	163.2	0	0	0	0	122
207	N	30	Very low	27.7	Very low	150 Å²	150	136.7 Å²	136.7	80%	0.802	76%	0.761	S	S	*	*			trans	60.1	156.2	140	-65.3	9	0	0	0	124.5
208	A	31.1	Very low	27.7	Very low	74 Å²	74	136 Å²	136	61%	0.612	76%	0.762	S	S	*	*			cis	-174.6	171.7	-27.1	0	0	0	0	0	112.1
209	Q	30	Very low	28	Very low	187 Å²	187	133.9 Å²	133.9	87%	0.874	76%	0.76	S	S	*	*			trans	71.3	168.3	160.7	-63	170.5	-10.3	0	0	119.2
210	N	29.6	Very low	28.2	Very low	136 Å²	136	132.3 Å²	132.3	73%	0.727	75%	0.752	S	S	*	*				-175.9	162	-69.3	-115.5	27.7	0	0	0	111.5
211	F	26.8	Very low	28.5	Very low	192 Å²	192	135.9 Å²	135.9	84%	0.842	76%	0.755	S	S	*	*			trans	80.7	140.7	161.8	-72.6	-66.9	0	0	0	121.9
212	T	26.5	Very low	28.8	Very low	120 Å²	120	137.1 Å²	137.1	74%	0.736	75%	0.752	S	S	*	*			trans	-99	173.7	170.3	46.3	0	0	0	0	111.1
213	P	31.2	Very low	28.9	Very low	127 Å²	127	139 Å²	139	83%	0.825	75%	0.753	S	S	*	*				-140.7	-167.6	113.3	39.4	-26.3	0	0	0	114
214	C	21.7	Very low	29	Very low	110 Å²	110	133.1 Å²	133.1	74%	0.743	75%	0.754	S	S	*	*			trans	-115.7	-167.3	-171.7	-59.6	0	0	0	0	112.8
215	E	24.4	Very low	29.1	Very low	193 Å²	193	131.8 Å²	131.8	90%	0.902	76%	0.755	S	S	*	*			trans	76.9	157.5	163.4	-62.2	171.5	-177.3	0	0	117.2
216	A	27.5	Very low	29.2	Very low	77 Å²	77	137.9 Å²	137.9	64%	0.636	76%	0.763	S	S	*	*			cis	-171.1	179.2	-31.9	0	0	0	0	0	109.2
217	E	28.3	Very low	29.1	Very low	180 Å²	180	138.4 Å²	138.4	84%	0.841	77%	0.767	S	S	*	*			trans	67.8	153.3	158.9	-60.4	-175.8	175.1	0	0	117.6
218	D	28.5	Very low	29	Very low	134 Å²	134	138.5 Å²	138.5	72%	0.717	77%	0.772	S	S	*	*			cis	-154.8	163.7	-11.9	-130	37.4	0	0	0	117
219	T	32.3	Very low	28.9	Very low	106 Å²	106	140.5 Å²	140.5	65%	0.65	78%	0.782	S	S	*	*			trans	-25.6	175.9	160.7	-8.8	0	0	0	0	120.9
220	D	30.4	Very low	28.6	Very low	123 Å²	123	137.7 Å²	137.7	66%	0.658	78%	0.781	S	S	*	*			cis	-150.5	-172.6	-0.8	-156.7	21.4	0	0	0	108.1
221	H	33.2	Very low	29.1	Very low	155 Å²	155	136.3 Å²	136.3	72%	0.718	78%	0.779	S	S	*	*			cis	-136.9	-174.2	18.1	-59.9	-68	0	0	0	110.4
222	L	32.3	Very low	29.1	Very low	142 Å²	142	138 Å²	138	74%	0.743	78%	0.782	S	S	*	*			cis	-157.1	172.9	15	-158.1	125.5	0	0	0	113.3
223	N	30.8	Very low	29.2	Very low	145 Å²	145	136.5 Å²	136.5	78%	0.775	78%	0.782	S	S	*	*			trans	-50.4	135.6	-178.3	-53	-46.1	0	0	0	118.7
224	A	30.3	Very low	29.8	Very low	107 Å²	107	136.5 Å²	136.5	88%	0.884	78%	0.782	S	S	*	*				-179.3	152.9	103.1	0	0	0	0	0	112.8
225	A	30	Very low	30.1	Very low	91 Å²	91	137.8 Å²	137.8	75%	0.752	78%	0.781	S	S	*	*			trans	-93.9	146.2	-158.8	0	0	0	0	0	118.2
226	R	30.1	Very low	30.5	Very low	227 Å²	227	136.1 Å²	136.1	86%	0.857	77%	0.773	S	S	*	*			trans	56.3	101.1	140.7	-70.8	179.4	178.2	166.4	0.5	119.4
227	T	26.8	Very low	30.6	Very low	131 Å²	131	139.5 Å²	139.5	80%	0.804	78%	0.779	S	S	*	*				73.1	101.7	79	62.2	0	0	0	0	117
228	V	26.8	Very low	30.6	Very low	152 Å²	152	135.7 Å²	135.7	92%	0.921	78%	0.779	S	S	*	*			trans	-143	143.9	154.2	179.1	0	0	0	0	108.3
229	S	29.1	Very low	30.8	Very low	116 Å²	116	137.1 Å²	137.1	81%	0.811	78%	0.781	S	S	*	*			trans	-93.6	156.2	-177.4	-49	0	0	0	0	113.1
230	C	24.5	Very low	30.6	Very low	128 Å²	128	142.2 Å²	142.2	87%	0.865	79%	0.794	S	S	*	*			trans	-154.6	137.8	164.4	-135.1	0	0	0	0	113.6
231	P	38.7	Very low	30.5	Very low	106 Å²	106	139.7 Å²	139.7	69%	0.688	79%	0.791	S	S	*	*			trans	-119.7	-175.6	174.2	42.3	-32.9	0	0	0	114.4
232	Y	27.9	Very low	30.2	Very low	229 Å²	229	141 Å²	141	90%	0.898	80%	0.797	S	S	*	*			trans	80.3	152.3	156.1	-98.8	-82.1	0	0	0	122.1
233	A	28.8	Very low	29.9	Very low	88 Å²	88	140.3 Å²	140.3	73%	0.727	80%	0.799	S	S	*	*			trans	69.6	174.4	163.4	0	0	0	0	0	115.3
234	P	42.7	Very low	29.6	Very low	127 Å²	127	138.6 Å²	138.6	83%	0.825	80%	0.798	S	S	*	*			cis	-116.2	168.3	32.5	41.8	-32.9	0	0	0	116.1
235	D	27.9	Very low	29.3	Very low	137 Å²	137	140.1 Å²	140.1	73%	0.733	80%	0.796	S	S	*	*			trans	-144.8	155.4	154.4	-155.7	2.2	0	0	0	110.6
236	H	33.5	Very low	29.7	Very low	158 Å²	158	141 Å²	141	73%	0.731	80%	0.804	S	S	*	*			trans	10.5	129.1	174.4	-69.8	-69.8	0	0	0	122.7
237	L	29.6	Very low	29.5	Very low	147 Å²	147	134.8 Å²	134.8	77%	0.77	80%	0.801	S	S	*	*				168.9	140	107	-103.9	148.5	0	0	0	116
238	A	28.3	Very low	29.4	Very low	101 Å²	101	133.5 Å²	133.5	84%	0.835	80%	0.804	S	S	*	*			trans	-168.1	144.2	142.6	0	0	0	0	0	111.1
239	H	32.7	Very low	29.7	Very low	163 Å²	163	130.5 Å²	130.5	76%	0.755	80%	0.795	S	S	*	*			trans	-115.9	153.1	174.8	-75.4	-91.1	0	0	0	111.3
240	F	28.1	Very low	29.6	Very low	213 Å²	213	132 Å²	132	93%	0.934	79%	0.794	S	S	*	*			trans	168.4	156	142.3	-91	-67.8	0	0	0	108.9
241	A	27.6	Very low	29.8	Very low	70 Å²	70	132 Å²	132	58%	0.579	78%	0.781	S	S	*	*				-161.6	169.5	-54.6	0	0	0	0	0	111.4
242	H	28.3	Very low	29.5	Very low	183 Å²	183	136.8 Å²	136.8	85%	0.847	79%	0.785	S	S	*	*			trans	75.7	168.5	159.8	-68.8	-62.3	0	0	0	121.8
243	T	25.7	Very low	30.4	Very low	128 Å²	128	131.6 Å²	131.6	79%	0.785	78%	0.78	S	S	*	*			trans	-149.5	131.6	-150.1	49.9	0	0	0	0	113.2
244	S	24.6	Very low	30.2	Very low	108 Å²	108	133.2 Å²	133.2	76%	0.755	78%	0.784	S	S	*	*			trans	-176.5	121.3	159.4	39.6	0	0	0	0	109.4
245	T	24.3	Very low	29.7	Very low	139 Å²	139	139 Å²	139	85%	0.853	79%	0.79	S	S	*	*				79.2	77.4	64.6	64.2	0	0	0	0	117.1
246	A	38.1	Very low	29.6	Very low	111 Å²	111	137.2 Å²	137.2	92%	0.917	79%	0.794	S	S	*	*			trans	50.3	122.5	133.4	0	0	0	0	0	124.1
247	A	24.7	Very low	29.5	Very low	95 Å²	95	134.1 Å²	134.1	79%	0.785	80%	0.796	S	S	*	*			trans	-158.2	125.7	149.7	0	0	0	0	0	107.7
248	A	25.8	Very low	29.8	Very low	104 Å²	104	137.5 Å²	137.5	86%	0.86	80%	0.8	S	S	*	*				58.8	134.6	86	0	0	0	0	0	115.3
249	A	31.9	Very low	30	Very low	89 Å²	89	138.5 Å²	138.5	74%	0.736	79%	0.791	S	S	*	*			cis	-166.5	-162.6	-10.8	0	0	0	0	0	109.9
250	N	27.3	Very low	31.3	Very low	148 Å²	148	135.3 Å²	135.3	79%	0.791	79%	0.785	S	S	*	*			trans	80.9	146.5	170.7	-74.6	6.8	0	0	0	119
251	E	29.8	Very low	31.3	Very low	129 Å²	129	132.6 Å²	132.6	60%	0.603	78%	0.775	S	S	*	*			cis	-142.5	153.3	-10.3	-69.2	-150.2	156.9	0	0	112.5
252	R	31.6	Very low	31.5	Very low	206 Å²	206	137.5 Å²	137.5	78%	0.777	79%	0.786	S	S	*	*			trans	46.6	163.6	137	-71.7	-177.6	179.7	136.9	-8.6	123.7
253	P	46.5	Very low	31.7	Very low	119 Å²	119	132.1 Å²	132.1	77%	0.773	78%	0.78	S	S	*	*			cis	-127.5	-172	-19.4	32.5	-11.7	0	0	0	114
254	C	25.1	Very low	31.8	Very low	122 Å²	122	132.2 Å²	132.2	82%	0.824	78%	0.78	S	S	*	*			trans	-113.7	-171.4	-171.3	-41.2	0	0	0	0	114.1
255	R	32.1	Very low	32	Very low	250 Å²	250	137.3 Å²	137.3	94%	0.943	78%	0.783	S	S	*	*			trans	84.7	148.7	168.8	-70.6	-179.3	170.5	176.3	-3.5	116.6
256	A	27.2	Very low	32.2	Very low	99 Å²	99	136.1 Å²	136.1	82%	0.818	77%	0.771	S	S	*	*			cis	-154.1	172	-8.7	0	0	0	0	0	111.2
257	A	31.4	Very low	31.7	Very low	93 Å²	93	139.9 Å²	139.9	77%	0.769	77%	0.767	S	S	*	*			trans	-102.2	170.8	177.9	0	0	0	0	0	113.1
258	Y	34.5	Very low	31.9	Very low	217 Å²	217	141.2 Å²	141.2	85%	0.851	77%	0.765	S	S	*	*			trans	173.7	154.2	152.3	-103.9	-145.5	0	0	0	107.3
259	N	32.3	Very low	31.9	Very low	122 Å²	122	143.5 Å²	143.5	65%	0.652	76%	0.763	S	S	*	*			cis	-147.3	-173.7	7.8	-134.8	3.7	0	0	0	111
260	P	59.6	Low	31.9	Very low	96 Å²	96	143.6 Å²	143.6	62%	0.623	76%	0.764	S	S	*	*				-139.4	-171.8	-122.9	45.1	-23.9	0	0	0	116.4
261	Q	29.2	Very low	33.4	Very low	156 Å²	156	142 Å²	142	73%	0.729	76%	0.761	S	S	*	*				-171.4	129.6	106	-96.4	-168.8	-77	0	0	112.4
262	E	30.9	Very low	33.2	Very low	174 Å²	174	144.7 Å²	144.7	81%	0.813	77%	0.774	S	S	*	*			trans	43.6	144.3	144.7	-65.7	155.7	-127.8	0	0	121.6
263	G	32.7	Very low	32.9	Very low	70 Å²	70	139.9 Å²	139.9	72%	0.722	77%	0.772	S	S	*	*			cis	152	139	1.9	0	0	0	0	0	108.1
264	V	28	Very low	32.2	Very low	129 Å²	129	141.5 Å²	141.5	78%	0.782	77%	0.774	S	S	*	*				174.3	136.3	57.8	148.5	0	0	0	0	109.2
265	R	30.1	Very low	32.2	Very low	215 Å²	215	141 Å²	141	81%	0.811	77%	0.772	S	S	*	*			trans	48.5	158.1	147	-63.8	179.2	-156.3	-146.1	8	122.2
266	D	28.3	Very low	31.8	Very low	115 Å²	115	132.9 Å²	132.9	62%	0.615	77%	0.766	S	S	*	*			cis	-164.8	152.8	-9.2	-101.7	-17.4	0	0	0	112.6
267	F	27.1	Very low	31.6	Very low	189 Å²	189	131.6 Å²	131.6	83%	0.829	76%	0.763	S	S	*	*			trans	63	143.7	144.6	-86.8	-66.3	0	0	0	129
268	V	28.4	Very low	31.3	Very low	124 Å²	124	137.5 Å²	137.5	75%	0.752	77%	0.767	S	S	*	*			trans	83.7	149.8	148.6	173.1	0	0	0	0	122.4
269	D	27.1	Very low	31.1	Very low	152 Å²	152	133 Å²	133	81%	0.813	75%	0.753	S	S	*	*			trans	-58.8	-179.1	-165.3	-57	-70.9	0	0	0	121.5
270	A	29.8	Very low	31.4	Very low	91 Å²	91	132.6 Å²	132.6	75%	0.752	76%	0.757	S	S	*	*			trans	-74.6	173.2	171.8	0	0	0	0	0	112.5
271	P	59.9	Low	29.9	Very low	113 Å²	113	134.9 Å²	134.9	73%	0.734	76%	0.764	S	S	*	*			cis	-149.1	-153.3	29.3	44	-20.6	0	0	0	116.6
272	E	25.8	Very low	29.9	Very low	186 Å²	186	134.8 Å²	134.8	87%	0.869	76%	0.764	S	S	*	*			trans	88.7	-174.2	151.1	-91.5	178.5	-176.4	0	0	121.8
273	S	26	Very low	29.7	Very low	105 Å²	105	137.6 Å²	137.6	73%	0.734	77%	0.768	S	S	*	*			trans	-86.5	166.8	-133.7	53.2	0	0	0	0	120.1
274	D	30.1	Very low	29.3	Very low	153 Å²	153	139.1 Å²	139.1	82%	0.818	77%	0.768	S	S	*	*			trans	-7.6	162.4	147.8	-155.3	6.3	0	0	0	121.7
275	S	25.2	Very low	29.1	Very low	113 Å²	113	138.7 Å²	138.7	79%	0.79	77%	0.765	S	S	*	*			trans	93.8	131.2	162.6	79.4	0	0	0	0	121.7
276	G	23.6	Very low	28.9	Very low	78 Å²	78	137.6 Å²	137.6	80%	0.804	77%	0.766	S	S	*	*				107.4	62.9	114.4	0	0	0	0	0	124.7
277	G	23.4	Very low	28.8	Very low	73 Å²	73	139.5 Å²	139.5	75%	0.753	78%	0.775	S	S	*	*			trans	73.9	-176.1	151.9	0	0	0	0	0	118.7
278	Y	24.8	Very low	28.6	Very low	217 Å²	217	139.5 Å²	139.5	85%	0.851	78%	0.775	S	S	*	*			cis	-162.7	137.8	-16.4	-145.2	-99.1	0	0	0	112.1
279	Q	30.7	Very low	28.6	Very low	123 Å²	123	137 Å²	137	58%	0.575	76%	0.763	S	S	*	*			trans	57.5	-178.6	166	-118.1	-171.4	-36.5	0	0	118.8	D281	Q279-D281 VanDerWaalsContact NE2-CA 3.34Å
280	P	39.6	Very low	28.5	Very low	113 Å²	113	138.5 Å²	138.5	73%	0.734	77%	0.765	S	S	*	*			cis	-108.6	179.1	27.1	43.5	-34.9	0	0	0	114.8
281	D	27	Very low	28.3	Very low	143 Å²	143	137.3 Å²	137.3	77%	0.765	76%	0.762	S	S	*	*			cis	-151.6	-179.5	-9.9	-124.4	-40.8	0	0	0	110.3	Q279	Q279-D281 VanDerWaalsContact NE2-CA 3.34Å
282	Q	29.6	Very low	26.8	Very low	154 Å²	154	139.1 Å²	139.1	72%	0.72	77%	0.765	S	S	*	*			trans	-131.5	151	178	-85.9	-164.2	7.7	0	0	115.9
283	Y	26.5	Very low	27	Very low	233 Å²	233	136.5 Å²	136.5	91%	0.914	76%	0.757	S	S	*	*			trans	175.5	165.5	135.2	-78.5	-42.8	0	0	0	111.3
284	S	24.6	Very low	27	Very low	103 Å²	103	134.1 Å²	134.1	72%	0.72	75%	0.75	S	S	*	*			cis	-166.7	179.5	-46.1	-162.1	0	0	0	0	112.5
285	V	23.4	Very low	26.7	Very low	119 Å²	119	139 Å²	139	72%	0.721	76%	0.757	S	S	*	*			trans	70.2	89.6	162.3	-160.8	0	0	0	0	122.1
286	K	25.4	Very low	26.6	Very low	192 Å²	192	136.9 Å²	136.9	84%	0.835	75%	0.753	S	S	*	*				57.1	146	108.3	-146.2	-174.4	-174.2	178.2	0	124
287	I	26.7	Very low	26.7	Very low	156 Å²	156	139 Å²	139	80%	0.8	76%	0.756	S	S	*	*			trans	125.5	175.2	153	-61.8	-179.6	0	0	0	115.5
288	K	23.7	Very low	26.6	Very low	189 Å²	189	144.6 Å²	144.6	82%	0.822	76%	0.76	S	S	*	*			trans	-153.8	155.2	-133.1	179.6	-156.5	176.1	-154.8	0	114.1
289	S	27.8	Very low	26.6	Very low	71 Å²	71	145 Å²	145	50%	0.497	76%	0.76	S	S	.	*			trans	131.1	146.9	134	-131.2	0	0	0	0	120.4
290	E	25.1	Very low	26.3	Very low	183 Å²	183	143 Å²	143	86%	0.855	77%	0.772	S	S	*	*			trans	43.2	159.3	158.5	-74.3	120	-178.6	0	0	123.7
291	G	26.2	Very low	25.5	Very low	67 Å²	67	141.6 Å²	141.6	69%	0.691	78%	0.778	S	S	*	*			cis	165	142	-10.8	0	0	0	0	0	115.6
292	N	27.8	Very low	25.4	Very low	151 Å²	151	138.1 Å²	138.1	81%	0.807	78%	0.776	S	S	*	*			trans	52.1	152.5	172.6	-78.1	35.2	0	0	0	120.2
293	D	29.1	Very low	25.2	Very low	130 Å²	130	141.3 Å²	141.3	70%	0.695	78%	0.783	S	S	*	*			cis	-139.5	-158	-0.6	-128.6	-51.7	0	0	0	108.5
294	G	26.9	Very low	25.2	Very low	56 Å²	56	137.5 Å²	137.5	58%	0.577	78%	0.784	S	S	*	*			cis	119.5	124.9	6.5	0	0	0	0	0	111.8
295	W	22.8	Very low	25.4	Very low	254 Å²	254	142.5 Å²	142.5	96%	0.962	79%	0.793	S	S	*	*			cis	-123.7	-155.1	-0.6	-42.2	-46.2	0	0	0	109.6
296	G	23.9	Very low	25.4	Very low	70 Å²	70	142.1 Å²	142.1	72%	0.722	79%	0.787	S	S	*	*			cis	175.3	178.7	2.1	0	0	0	0	0	113
297	S	25.8	Very low	25.6	Very low	123 Å²	123	141.1 Å²	141.1	86%	0.86	78%	0.782	S	S	*	*			trans	35	96.5	166.7	-62.2	0	0	0	0	122.1
298	F	22.2	Very low	25.7	Very low	189 Å²	189	143 Å²	143	83%	0.829	78%	0.779	S	S	*	*				-171.3	-167.2	94	-150	-111.5	0	0	0	111.1
299	W	23.5	Very low	25.8	Very low	227 Å²	227	144.5 Å²	144.5	86%	0.86	78%	0.781	S	S	*	*			trans	-88.7	148.3	-157.9	-76.4	68.1	0	0	0	117.6
300	G	24.6	Very low	25.8	Very low	80 Å²	80	147 Å²	147	83%	0.825	79%	0.79	S	S	*	*			trans	108	136	166.6	0	0	0	0	0	114.1
301	G	22.9	Very low	25.7	Very low	84 Å²	84	142.8 Å²	142.8	87%	0.866	78%	0.776	S	S	*	*			cis	157.2	69.5	-2.2	0	0	0	0	0	112.5
302	G	24.3	Very low	25.6	Very low	69 Å²	69	147.6 Å²	147.6	71%	0.711	78%	0.781	S	S	*	*			trans	-149	110.3	-171.1	0	0	0	0	0	116.6
303	Y	26.8	Very low	25.4	Very low	222 Å²	222	148.6 Å²	148.6	87%	0.871	78%	0.778	S	S	*	*			trans	21.3	112.2	152.4	-53.9	-84	0	0	0	120.9
304	T	26.1	Very low	25.1	Very low	152 Å²	152	154.3 Å²	154.3	93%	0.933	79%	0.79	S	S	*	*				-177.8	168	107.2	27.5	0	0	0	0	112.2
305	F	27.6	Very low	24.9	Very low	209 Å²	209	155.1 Å²	155.1	92%	0.917	80%	0.798	S	S	*	*			trans	-99.4	136.7	-163.3	-159.7	-98	0	0	0	113.8
306	N	25.1	Very low	24.9	Very low	110 Å²	110	148.5 Å²	148.5	59%	0.588	79%	0.791	S	S	*	*			trans	-163	145.5	-177.8	-147.1	-11.9	0	0	0	104.7	R308	N306-R308 PolarHBondContact OD1-NE 3.04Å
307	K	29.3	Very low	25	Very low	171 Å²	171	155.2 Å²	155.2	74%	0.743	79%	0.794	S	S	*	*			cis	-147.7	-176	21.9	-82.8	-178.7	175.3	174.7	0	108.5
308	R	28.3	Very low	25.1	Very low	195 Å²	195	156 Å²	156	74%	0.736	79%	0.785	S	S	*	*			cis	-168	172.5	-39.4	-92.9	177.7	-165.5	-169.1	-2.3	107	N306	N306-R308 PolarHBondContact OD1-NE 3.04Å
309	Y	26.1	Very low	25.3	Very low	221 Å²	221	152 Å²	152	87%	0.867	78%	0.779	S	S	*	*			trans	-51	163.1	169.1	-75.2	-100.6	0	0	0	113.4
310	N	26.4	Very low	25.4	Very low	125 Å²	125	149.5 Å²	149.5	67%	0.668	78%	0.779	S	S	*	*			cis	-165.5	166.4	41.8	-155.8	15.5	0	0	0	117.5
311	T	23.8	Very low	25.6	Very low	94 Å²	94	151.9 Å²	151.9	58%	0.577	77%	0.773	S	S	*	*			trans	66.6	116.6	148.1	36.5	0	0	0	0	124.2
312	Q	25.2	Very low	25.7	Very low	167 Å²	167	152.4 Å²	152.4	78%	0.78	77%	0.769	S	S	*	*				91.6	129.8	124.4	-78	177	-1.7	0	0	124.7
313	F	22.8	Very low	26	Very low	173 Å²	173	155.4 Å²	155.4	76%	0.759	76%	0.764	S	S	*	*			trans	72.3	132.3	146	-93.3	-98.7	0	0	0	123
314	W	23	Very low	26	Very low	250 Å²	250	152.8 Å²	152.8	95%	0.947	76%	0.76	S	S	*	*			trans	59.1	154.7	173.7	-63.5	-12.1	0	0	0	116.1
315	G	23.2	Very low	26.1	Very low	72 Å²	72	150.5 Å²	150.5	74%	0.742	75%	0.75	S	S	*	*			cis	-164.6	167.1	-4.2	0	0	0	0	0	111.6
316	S	22.7	Very low	26.2	Very low	116 Å²	116	143.6 Å²	143.6	81%	0.811	74%	0.738	S	S	*	*			trans	-72.4	153.7	-173.2	-42.7	0	0	0	0	114.5
317	R	25.9	Very low	27.2	Very low	210 Å²	210	143.6 Å²	143.6	79%	0.792	74%	0.744	S	S	*	*				174.7	121.5	121.2	-91.9	177.2	-160.5	-90	6.7	111.1
318	Q	27.6	Very low	27.3	Very low	140 Å²	140	143 Å²	143	65%	0.654	75%	0.749	S	S	*	*				74.9	109.6	94.2	-70.7	-174.5	-55.3	0	0	114.1
319	C	25.4	Very low	27.4	Very low	105 Å²	105	138.4 Å²	138.4	71%	0.709	75%	0.753	S	S	*	*				88	154.6	94.8	-64.2	0	0	0	0	112.3
320	M	26.4	Very low	27.4	Very low	175 Å²	175	131.9 Å²	131.9	86%	0.862	74%	0.744	S	S	*	*			cis	-132.1	172	24.3	-54.8	-139.9	66.5	0	0	115.1
321	N	28.6	Very low	27.3	Very low	129 Å²	129	135.8 Å²	135.8	69%	0.69	76%	0.756	S	S	*	*			trans	-108.9	168.7	174.9	-55.6	-10.3	0	0	0	111.9	H323	N321-H323 VanDerWaalsContact CB-CD2 3.41Å; N321-H323 WeakPolarHBondContact CB-CD2 3.36Å; N321-H323 PolarHBondContact ND2-NE2 2.63Å
322	A	25.7	Very low	27.4	Very low	96 Å²	96	138 Å²	138	79%	0.793	76%	0.763	S	S	*	*			trans	-148.3	126.8	133.2	0	0	0	0	0	106.5
323	H	29.9	Very low	27.3	Very low	132 Å²	132	136 Å²	136	61%	0.611	77%	0.766	S	S	*	*			cis	66.3	132.6	42.7	-66.9	-93.4	0	0	0	113.6	N321	N321-H323 VanDerWaalsContact CB-CD2 3.41Å; N321-H323 WeakPolarHBondContact CB-CD2 3.36Å; N321-H323 PolarHBondContact ND2-NE2 2.63Å
324	E	27.3	Very low	27.4	Very low	167 Å²	167	134.8 Å²	134.8	78%	0.78	77%	0.767	S	S	*	*			cis	-154.1	178	-3.5	-131.3	174.8	-105	0	0	108.9
325	S	28.6	Very low	28.3	Very low	103 Å²	103	128.5 Å²	128.5	72%	0.72	76%	0.759	S	S	*	*			cis	-151.2	-173.5	9.2	64.7	0	0	0	0	109.7
326	G	29.5	Very low	28.4	Very low	65 Å²	65	135.2 Å²	135.2	67%	0.67	76%	0.763	S	S	*	*			cis	115.6	151.1	3.7	0	0	0	0	0	112.8
327	P	46.1	Very low	28.6	Very low	109 Å²	109	139 Å²	139	71%	0.708	77%	0.768	S	S	*	*			cis	-137.2	174.6	-4.8	43.6	-27.3	0	0	0	116.3
328	N	31.1	Very low	28.7	Very low	159 Å²	159	132 Å²	132	85%	0.85	76%	0.762	S	S	*	*			trans	68.9	143.4	151.7	-65	-17	0	0	0	120.3
329	A	29.3	Very low	28.6	Very low	99 Å²	99	131.3 Å²	131.3	82%	0.818	77%	0.772	S	S	*	*			cis	-149.3	169.4	-7.9	0	0	0	0	0	111.5
330	A	26.4	Very low	28.6	Very low	83 Å²	83	132.8 Å²	132.8	69%	0.686	78%	0.777	S	S	*	*			trans	-86.4	165.2	-172.2	0	0	0	0	0	114.8
331	F	25.6	Very low	28.4	Very low	208 Å²	208	130.3 Å²	130.3	91%	0.912	77%	0.772	S	S	*	*				-157.2	175.1	125.9	-108.7	-67.9	0	0	0	112.3
332	I	25	Very low	28.1	Very low	141 Å²	141	135.3 Å²	135.3	72%	0.723	78%	0.781	S	S	*	*			trans	-117.8	147.2	-147.7	-72.7	169.1	0	0	0	113.1
333	C	23.3	Very low	29.2	Very low	124 Å²	124	135.6 Å²	135.6	84%	0.838	78%	0.775	S	S	*	*			trans	81.9	144.3	156.5	-85.4	0	0	0	0	124
334	N	25.8	Very low	28.8	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	78%	0.779	S	S	*	*			trans	-69.9	179.5	157.1	-115.4	-10.2	0	0	0	110.7
335	P	40.2	Very low	28.6	Very low	119 Å²	119	135.7 Å²	135.7	77%	0.773	78%	0.776	S	S	*	*			cis	-141.7	-129.1	24.1	42.5	-19.3	0	0	0	115.4
336	Y	26.6	Very low	28.5	Very low	212 Å²	212	141.5 Å²	141.5	83%	0.831	78%	0.782	S	S	*	*			trans	-108.3	178.3	-162	-109.9	-107.8	0	0	0	114
337	E	26.3	Very low	28.3	Very low	196 Å²	196	148.8 Å²	148.8	92%	0.916	79%	0.791	S	S	*	*			trans	72.4	153.7	168.6	-64	175.1	141.9	0	0	117.3
338	G	27.6	Very low	27.7	Very low	64 Å²	64	149.3 Å²	149.3	66%	0.66	79%	0.794	S	S	*	*			cis	154.4	138.9	-10.8	0	0	0	0	0	113.9
339	S	25.2	Very low	27.5	Very low	125 Å²	125	145.6 Å²	145.6	87%	0.874	79%	0.794	S	S	*	*			trans	77.1	156.8	172.9	-58.1	0	0	0	0	118.1
340	V	25.3	Very low	27.4	Very low	135 Å²	135	144.8 Å²	144.8	82%	0.818	79%	0.794	S	S	*	*			cis	-168.1	167.4	-35.3	114.2	0	0	0	0	110.7
341	V	23.6	Very low	27.3	Very low	124 Å²	124	149.2 Å²	149.2	75%	0.752	80%	0.803	S	S	*	*			trans	92.5	103	171.2	-162	0	0	0	0	121.3
342	R	22	Very low	27.3	Very low	233 Å²	233	146.7 Å²	146.7	88%	0.879	80%	0.798	S	S	*	*				29.2	170.3	114	-102.9	-173.8	171	-171	-1.7	123.6
343	P	47.5	Very low	27.3	Very low	103 Å²	103	151.1 Å²	151.1	67%	0.669	81%	0.806	S	S	*	*			cis	-142.1	-161.2	-10.4	39.8	-17.8	0	0	0	117.2
344	E	22.9	Very low	27.7	Very low	147 Å²	147	151.4 Å²	151.4	69%	0.687	80%	0.804	S	S	*	*			trans	97.4	147.5	171.3	-59.7	-98.6	123.3	0	0	115.5
345	Q	23.5	Very low	28	Very low	154 Å²	154	150 Å²	150	72%	0.72	80%	0.803	S	S	*	*			cis	-154.5	133.6	20.6	-154.7	153.6	63.5	0	0	115.6
346	W	25.4	Very low	27.6	Very low	225 Å²	225	155.1 Å²	155.1	85%	0.852	81%	0.808	S	S	*	*			trans	68.7	157.2	147.8	-74.7	39.6	0	0	0	124.7
347	Y	24.8	Very low	28.2	Very low	218 Å²	218	150.1 Å²	150.1	86%	0.855	80%	0.802	S	S	*	*			trans	-158.4	151.3	-178.1	-121.2	-64.5	0	0	0	112.3
348	P	34.3	Very low	28.1	Very low	119 Å²	119	147.8 Å²	147.8	77%	0.773	80%	0.796	S	S	*	*			trans	-141.2	169.7	133.6	38.2	-25.2	0	0	0	113
349	G	27.6	Very low	28.2	Very low	82 Å²	82	150 Å²	150	85%	0.845	80%	0.801	S	S	*	*			cis	146	99.2	-6.5	0	0	0	0	0	113.2
350	G	26.1	Very low	28.2	Very low	81 Å²	81	147.6 Å²	147.6	84%	0.835	80%	0.796	S	S	*	*			trans	172.7	160	177.9	0	0	0	0	0	113.6
351	M	25.5	Very low	28.3	Very low	176 Å²	176	147.6 Å²	147.6	87%	0.867	79%	0.792	S	S	*	*			trans	-132.9	164.4	-169.3	-68.7	173.1	65.1	0	0	114.7
352	L	25.6	Very low	28.5	Very low	155 Å²	155	150.2 Å²	150.2	81%	0.812	80%	0.798	S	S	*	*			trans	90.8	133.2	154	-75.8	157.1	0	0	0	122.1
353	R	23.8	Very low	28.6	Very low	235 Å²	235	147.4 Å²	147.4	89%	0.887	79%	0.792	S	S	*	*			trans	70.5	129.6	154.9	-88.6	-169.7	178.3	-174	0.3	122.2
354	T	32.1	Very low	27.6	Very low	129 Å²	129	146.2 Å²	146.2	79%	0.791	79%	0.786	S	S	*	*			trans	-74.2	151.2	145.8	46.6	0	0	0	0	110.3
355	P	31.8	Very low	27.7	Very low	119 Å²	119	147.5 Å²	147.5	77%	0.773	79%	0.792	S	S	*	*				-144.1	169.5	88.2	39.7	-24.3	0	0	0	115.5
356	Y	31.5	Very low	28.7	Very low	225 Å²	225	147.1 Å²	147.1	88%	0.882	80%	0.8	S	S	*	*			trans	-78.2	154.3	161.6	-87.8	-85.8	0	0	0	110.7
357	P	39.9	Very low	28.7	Very low	107 Å²	107	139.1 Å²	139.1	70%	0.695	79%	0.787	S	S	*	*				-149.3	170.4	100	39.9	-23.8	0	0	0	116.3
358	N	24.8	Very low	28.8	Very low	148 Å²	148	137 Å²	137	79%	0.791	79%	0.785	S	S	*	*			trans	36.5	124.8	150	-66.4	15.9	0	0	0	120.8
359	S	28.6	Very low	28.4	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	79%	0.787	S	S	*	*			cis	93.5	120	37.2	77.5	0	0	0	0	114.9
360	G	25.6	Very low	28.4	Very low	74 Å²	74	144.5 Å²	144.5	76%	0.763	78%	0.783	S	S	*	*			trans	133.3	133.9	168.3	0	0	0	0	0	113.1
361	D	27.2	Very low	28.4	Very low	136 Å²	136	147.1 Å²	147.1	73%	0.727	78%	0.777	S	S	*	*			cis	-156.6	135.8	-21.2	-144.9	-37.1	0	0	0	111.2
362	M	27.1	Very low	28.5	Very low	178 Å²	178	145.2 Å²	145.2	88%	0.877	78%	0.775	S	S	*	*			trans	-172.8	94.6	150.2	-107.6	-61	111.2	0	0	109.9
363	K	25.3	Very low	28.6	Very low	174 Å²	174	142.6 Å²	142.6	76%	0.757	77%	0.765	S	S	*	*			trans	-71	167.4	156.2	-81.4	179.3	178	174.3	0	109.7
364	S	25.6	Very low	28.7	Very low	79 Å²	79	142.1 Å²	142.1	55%	0.552	77%	0.765	S	S	*	*			cis	-157	160.8	26.7	-146.4	0	0	0	0	116
365	Q	25.1	Very low	28.3	Very low	173 Å²	173	142.1 Å²	142.1	81%	0.808	76%	0.761	S	S	*	*			trans	52.3	119.7	140.9	-81.6	158.6	-50.8	0	0	121.8
366	V	44.7	Very low	27.9	Very low	147 Å²	147	142.7 Å²	142.7	89%	0.891	76%	0.757	S	S	*	*			trans	-51.9	130.8	137.5	177.5	0	0	0	0	110.7
367	G	25.4	Very low	28	Very low	56 Å²	56	137.9 Å²	137.9	58%	0.577	75%	0.751	S	S	*	*			trans	-142.1	145.5	152.5	0	0	0	0	0	106.5
368	E	27.9	Very low	27.6	Very low	174 Å²	174	142.3 Å²	142.3	81%	0.813	75%	0.754	S	S	*	*			cis	72.2	153.3	42	-161.1	167.6	-129.4	0	0	112.9
369	W	26.2	Very low	27.9	Very low	216 Å²	216	145.1 Å²	145.1	82%	0.818	76%	0.759	S	S	*	*			trans	74	122.4	-167.4	-53.2	77.6	0	0	0	112.4
370	L	27.5	Very low	27.8	Very low	143 Å²	143	149 Å²	149	75%	0.749	77%	0.766	S	S	*	*			cis	-148.3	149.1	11	-115.5	161.4	0	0	0	113.2
371	D	26.2	Very low	28.1	Very low	136 Å²	136	150.2 Å²	150.2	73%	0.727	77%	0.768	S	S	*	*			trans	-64.6	148.3	162.7	-71.7	-75.1	0	0	0	112.5
372	V	26	Very low	28.3	Very low	136 Å²	136	147.5 Å²	147.5	82%	0.824	77%	0.772	S	S	*	*			trans	-129	110.8	144.4	178.1	0	0	0	0	107.7
373	V	27.5	Very low	28.7	Very low	99 Å²	99	150.2 Å²	150.2	60%	0.6	77%	0.773	S	S	*	*			trans	-69.8	129.2	176.2	175.2	0	0	0	0	109.9
374	Y	26.1	Very low	29.1	Very low	226 Å²	226	149.8 Å²	149.8	89%	0.886	77%	0.773	S	S	*	*			trans	-133.8	121.1	150.2	-121.9	-88.6	0	0	0	109.5
375	N	24.7	Very low	29.8	Very low	129 Å²	129	154 Å²	154	69%	0.69	78%	0.784	S	S	*	*			trans	-80.9	134.2	179.4	-68.2	-37.3	0	0	0	110.7
376	D	23.5	Very low	30.4	Very low	130 Å²	130	154.1 Å²	154.1	70%	0.695	79%	0.787	S	S	*	*			trans	-132.8	97.7	138.1	-168.2	1.1	0	0	0	109.6	R378	D376-R378 PolarHBondContact O-N 3.04Å; D376-R378 VanDerWaalsContact O-N 3.08Å
377	T	32.2	Very low	29.9	Very low	124 Å²	124	156.2 Å²	156.2	76%	0.761	78%	0.784	S	S	*	*			trans	-80.7	81.2	-178.3	49.5	0	0	0	0	110.4
378	R	32.1	Very low	30.6	Very low	200 Å²	200	158.2 Å²	158.2	76%	0.755	79%	0.787	S	S	*	*			trans	-149.9	22.3	177.6	-138.6	-178.5	-62.5	-158.3	-0.4	119.8	D376	D376-R378 PolarHBondContact O-N 3.04Å; D376-R378 VanDerWaalsContact O-N 3.08Å
379	F	30.7	Very low	31.3	Very low	207 Å²	207	154.3 Å²	154.3	91%	0.908	77%	0.77	S	S	*	*			trans	-142.4	33.7	174.4	-110.8	-70.7	0	0	0	118.1
380	E	28	Very low	32	Very low	193 Å²	193	151.7 Å²	151.7	90%	0.902	77%	0.767	S	S	*	*			trans	-107.2	82	163.7	-75.4	-130.5	115.7	0	0	112.2
381	A	31.1	Very low	32.5	Very low	98 Å²	98	154 Å²	154	81%	0.81	77%	0.771	S	S	*	*			trans	-155.4	106.5	162.1	0	0	0	0	0	109
382	G	31.3	Very low	33.2	Very low	79 Å²	79	155.4 Å²	155.4	81%	0.814	77%	0.771	S	S	*	*			trans	152.3	3.4	179	0	0	0	0	0	118.4
383	R	36.7	Very low	33.6	Very low	235 Å²	235	156.8 Å²	156.8	89%	0.887	77%	0.766	S	S	*	*			trans	-101.8	54	176.8	-160.8	-156.1	-71.2	-110.6	1.8	113
384	E	32.1	Very low	34.3	Very low	165 Å²	165	157 Å²	157	77%	0.771	77%	0.77	S	S	*	*			trans	-123.5	158.6	165.2	-65.2	-158.9	132.5	0	0	111
385	H	40	Very low	35.3	Very low	168 Å²	168	151.8 Å²	151.8	78%	0.778	76%	0.764	S	S	*	*	S	Bend	trans	68.1	29.6	-179.6	-47.5	-51.6	0	0	0	118.3
386	M	38	Very low	36.8	Very low	175 Å²	175	153.2 Å²	153.2	86%	0.862	77%	0.766	S	S	*	*			trans	-111.9	98.5	150.2	-93.8	-172.9	62.8	0	0	110.4	P388	M386-P388 WeakPolarHBondContact O-CD 3.5Å
387	F	34.9	Very low	39.4	Very low	191 Å²	191	154.6 Å²	154.6	84%	0.838	76%	0.761	S	S	*	*			trans	-74.7	124.5	169.2	-77.7	-81	0	0	0	110.3	M389	F387-M389 PolarHBondContact O-N 2.97Å; F387-M389 VanDerWaalsContact O-N 3.16Å
388	P	40.9	Very low	42.2	Very low	99 Å²	99	151.3 Å²	151.3	64%	0.643	74%	0.742	S	S	*	*			trans	-76.7	100.2	177	-14.2	30.4	0	0	0	111.5	M386 E390	M386-P388 WeakPolarHBondContact O-CD 3.5Å; P388-E390 PolarHBondContact O-N 3.08Å
389	M	40.8	Very low	45.2	Very low	92 Å²	92	141.9 Å²	141.9	45%	0.453	71%	0.706	S	S	.	*	G	3₁₀ helix	trans	-81.2	-0.1	174.1	-155.5	-167.2	-72.8	0	0	113.1	F387 F391 F392 L633	F387-M389 PolarHBondContact O-N 2.97Å; F387-M389 VanDerWaalsContact O-N 3.16Å; M389-F391 PolarHBondContact O-N 3.41Å; M389-F392 PolarHBondContact O-N 3.23Å; M389-L633 HydrophobicContact CE-CD1 3.72Å; M389-L633 HydrophobicContact SD-CD1 4.18Å
390	E	42.5	Very low	48.2	Very low	160 Å²	160	136.3 Å²	136.3	75%	0.748	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-63.4	-14.8	-171	-63.6	179.1	129.6	0	0	114.2	P388	P388-E390 PolarHBondContact O-N 3.08Å
391	F	37.8	Very low	51.5	Low	192 Å²	192	127.1 Å²	127.1	84%	0.842	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-81.6	-13.7	178.3	-87.9	-91.4	0	0	0	115.8	M389	M389-F391 PolarHBondContact O-N 3.41Å
392	F	40.1	Very low	54.6	Low	165 Å²	165	122.4 Å²	122.4	72%	0.724	60%	0.604	S	S	*	*	S	Bend	trans	-92.8	-10.8	-169.4	-86.1	-78.6	0	0	0	116.6	M389	M389-F392 PolarHBondContact O-N 3.23Å
393	F	34.7	Very low	57.5	Low	166 Å²	166	122.9 Å²	122.9	73%	0.728	59%	0.594	S	S	*	*			trans	-139.8	89.1	-179.1	-70.1	-72.8	0	0	0	114.1
394	P	41.7	Very low	60.3	Low	103 Å²	103	112.7 Å²	112.7	67%	0.669	56%	0.557	S	S	*	*			trans	-57.5	131.9	160.2	-20	32.5	0	0	0	109.7	Q396	P394-Q396 PolarHBondContact O-N 2.88Å
395	P	48.7	Very low	63.2	Low	117 Å²	117	112.4 Å²	112.4	76%	0.76	56%	0.556	S	S	*	*			trans	-78.7	66	-171.3	32	-37.1	0	0	0	112.7	R397	P395-R397 PolarHBondContact O-N 3.23Å
396	Q	54.5	Low	65.7	Low	159 Å²	159	104.8 Å²	104.8	74%	0.743	52%	0.522	S	S	*	.			trans	-62.2	102.5	166.7	-68	-167.2	10.1	0	0	109.1	P394 T398	P394-Q396 PolarHBondContact O-N 2.88Å; Q396-T398 HydrophobicContact CB-CG2 4.46Å; Q396-T398 PolarHBondContact O-N 3.28Å
397	R	78.4	Confident	68.2	Low	158 Å²	158	100.1 Å²	100.1	60%	0.596	51%	0.507	S	S	*	.			trans	-72.7	89.4	179.8	-65.5	-176.7	177	-169.5	-2.7	108.8	P395 A406	P395-R397 PolarHBondContact O-N 3.23Å; R397-A406 HydrophobicContact CB-CB 4.35Å; R397-A406 WeakPolarHBondContact O-CA 3.39Å; R397-A406 VanDerWaalsContact O-CB 3.26Å; R397-A406 WeakPolarHBondContact O-CB 3.38Å; R397-A406 PolarHBondContact O-N 3.17Å
398	T	92.3	Very high	70.5	Confident	56 Å²	56	91.9 Å²	91.9	34%	0.344	48%	0.476	S	S	.	.	B	Isolated β-bridge	trans	-95.3	144.4	179.7	50.2	0	0	0	0	112.4	Q396 L400 L414	Q396-T398 HydrophobicContact CB-CG2 4.46Å; Q396-T398 PolarHBondContact O-N 3.28Å; T398-L400 PolarHBondContact O-N 3.21Å; T398-L414 WeakPolarHBondContact O-CD2 3.44Å
399	C	94.9	Very high	72.8	Confident	2 Å²	2	91 Å²	91	1%	0.014	47%	0.471	C	S	.	.			trans	-76.3	118.6	-177.6	173.9	0	0	0	0	110.9	I401 C402 S403 D404 A406 C416	C399-I401 PolarHBondContact O-N 3.17Å; C399-C402 PolarHBondContact O-N 2.82Å; C399-S403 WeakPolarHBondContact O-CA 3.31Å; C399-S403 PolarHBondContact O-N 2.97Å; C399-D404 WeakPolarHBondContact CB-O 3.49Å; C399-D404 PolarHBondContact N-O 2.83Å; C399-A406 HydrophobicContact CB-CB 4.37Å; C399-C416 HydrophobicContact CB-CB 3.98Å; C399-C416 PolarHBondContact SG-N 2.72Å
400	L	93.8	Very high	75.2	Confident	89 Å²	89	87.9 Å²	87.9	47%	0.466	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.1	-178.6	-58.8	177.7	0	0	0	113.2	T398 A413 L414 K458 A462	T398-L400 PolarHBondContact O-N 3.21Å; L400-A413 HydrophobicContact CD1-CB 4.49Å; L400-L414 HydrophobicContact CD1-CB 4.33Å; L400-L414 HydrophobicContact CG-CB 4.27Å; L400-L414 PolarHBondContact N-O 3.36Å; L400-K458 VanDerWaalsContact O-CE 3.24Å; L400-K458 WeakPolarHBondContact O-CE 3.43Å; L400-K458 PolarHBondContact O-NZ 3.25Å; L400-A462 HydrophobicContact CB-CB 4.43Å
401	I	96.3	Very high	77.4	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-42.6	-177.9	-44.3	-51.3	0	0	0	112.2	C399 T415 C419 I443 R455 K458 C459 A462 M464	C399-I401 PolarHBondContact O-N 3.17Å; I401-T415 HydrophobicContact CG1-CG2 3.91Å; I401-C419 HydrophobicContact CB-CB 4.28Å; I401-C419 HydrophobicContact CG1-CB 4.12Å; I401-I443 HydrophobicContact CG2-CG2 4.26Å; I401-I443 VanDerWaalsContact O-CG2 3.28Å; I401-I443 WeakPolarHBondContact O-CG2 3.35Å; I401-R455 HydrophobicContact CG2-CG 4.11Å; I401-K458 WeakPolarHBondContact O-CD 3.46Å; I401-K458 VanDerWaalsContact O-CE 3.29Å; I401-K458 WeakPolarHBondContact O-CE 3.22Å; I401-K458 PolarHBondContact O-NZ 3.43Å; I401-C459 HydrophobicContact CD1-CB 4.4Å; I401-A462 HydrophobicContact CD1-CB 3.48Å; I401-A462 VanDerWaalsContact CD1-CB 3.48Å; I401-M464 HydrophobicContact CD1-SD 3.95Å; I401-M464 HydrophobicContact CG1-SD 4.14Å
402	C	95.5	Very high	79.5	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.6	14.1	-166.8	76.6	0	0	0	0	115.5	C399 D404 C416 C419 I443 D444 K445 R448	C399-C402 PolarHBondContact O-N 2.82Å; C402-D404 PolarHBondContact O-N 3.19Å; C402-C416 VanDerWaalsContact SG-SG 3.65Å; C402-C419 VanDerWaalsContact SG-SG 3.65Å; C402-I443 HydrophobicContact CB-CG2 3.95Å; C402-D444 CarbonylContact O-C 3.29Å; C402-D444 VanDerWaalsContact O-C 3.29Å; C402-D444 WeakPolarHBondContact O-CA 3.5Å; C402-K445 PolarHBondContact O-N 3.25Å; C402-R448 HydrophobicContact CB-CB 4.25Å; C402-R448 PolarHBondContact SG-NH1 3.35Å
403	S	93.6	Very high	81.7	Confident	88 Å²	88	70 Å²	70	62%	0.615	39%	0.393	S	S	*	.	S	Bend	trans	56.8	4.5	178.3	-48.1	0	0	0	0	116.9	C399	C399-S403 WeakPolarHBondContact O-CA 3.31Å; C399-S403 PolarHBondContact O-N 2.97Å
404	D	94.4	Very high	84.2	Confident	21 Å²	21	63.5 Å²	63.5	11%	0.112	37%	0.366	C	S	.	.	S	Bend	trans	-69.7	165.1	170.3	-164.4	12.1	0	0	0	111.3	C399 C402 A406 C416 K445 R448	C399-D404 WeakPolarHBondContact CB-O 3.49Å; C399-D404 PolarHBondContact N-O 2.83Å; C402-D404 PolarHBondContact O-N 3.19Å; D404-A406 PolarHBondContact O-N 3.36Å; D404-C416 HydrophobicContact CB-CB 4.1Å; D404-K445 HydrophobicContact CB-CB 4.21Å; D404-K445 HydrophobicContact CB-CD 4.2Å; D404-K445 HydrophobicContact CB-CG 4.09Å; D404-K445 VanDerWaalsContact OD1-CD 3.23Å; D404-K445 WeakPolarHBondContact OD1-CD 3.45Å; D404-K445 WeakPolarHBondContact OD1-CE 3.32Å; D404-K445 IonicContact OD1-NZ 2.74Å; D404-K445 PolarHBondContact OD1-NZ 3.05Å; D404-R448 IonicContact OD2-CZ 3.48Å; D404-R448 IonicContact OD2-NH1 3.34Å; D404-R448 PolarHBondContact OD2-NH1 2.89Å; D404-R448 IonicContact OD2-NH2 3.52Å; D404-R448 PolarHBondContact OD2-NH2 3.42Å
405	E	94.1	Very high	86.7	Confident	160 Å²	160	58.6 Å²	58.6	75%	0.748	33%	0.334	S	S	*	.	B	Isolated β-bridge	trans	-61.6	128.7	-178.6	-168.8	178.9	179.3	0	0	111.9	C416	E405-C416 VanDerWaalsContact O-CA 3.26Å; E405-C416 WeakPolarHBondContact O-CA 3.46Å; E405-C416 WeakPolarHBondContact O-CB 3.33Å
406	A	92.1	Very high	89	Confident	8 Å²	8	53.1 Å²	53.1	7%	0.066	30%	0.299	C	S	.	.			trans	-96	112.8	-173.1	0	0	0	0	0	112.2	R397 C399 D404 G408 L414 T415	R397-A406 HydrophobicContact CB-CB 4.35Å; R397-A406 WeakPolarHBondContact O-CA 3.39Å; R397-A406 VanDerWaalsContact O-CB 3.26Å; R397-A406 WeakPolarHBondContact O-CB 3.38Å; R397-A406 PolarHBondContact O-N 3.17Å; C399-A406 HydrophobicContact CB-CB 4.37Å; D404-A406 PolarHBondContact O-N 3.36Å; A406-G408 PolarHBondContact O-N 2.94Å; A406-L414 HydrophobicContact CB-CD1 3.6Å; A406-L414 HydrophobicContact CB-CD2 4.44Å; A406-L414 HydrophobicContact CB-CG 3.67Å; A406-T415 WeakPolarHBondContact CA-O 3.47Å
407	S	89.6	Confident	90.9	Very high	76 Å²	76	47.1 Å²	47.1	53%	0.531	28%	0.28	S	S	.	.			trans	-76	29.2	176.2	59.2	0	0	0	0	113.4	H410 T415 G417	S407-H410 PolarHBondContact O-NE2 3.07Å; S407-T415 PolarHBondContact N-O 2.9Å; S407-G417 PolarHBondContact OG-N 2.86Å
408	G	84.6	Confident	91.8	Very high	19 Å²	19	41.9 Å²	41.9	20%	0.196	27%	0.267	C	S	.	.	S	Bend	trans	106.9	-173.3	179.5	0	0	0	0	0	115.4	A406 H410 T415	A406-G408 PolarHBondContact O-N 2.94Å; G408-H410 PolarHBondContact O-CD2 3.09Å; G408-H410 PolarHBondContact O-NE2 3.3Å; G408-T415 PolarHBondContact O-N 2.96Å
409	C	88.6	Confident	92	Very high	79 Å²	79	39.2 Å²	39.2	53%	0.534	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.4	177.6	-62.5	0	0	0	0	110.6	A413	C409-A413 CarbonylContact C-O 3.37Å; C409-A413 VanDerWaalsContact CA-O 3.3Å; C409-A413 WeakPolarHBondContact CA-O 3.36Å
410	H	90.2	Very high	92	Very high	28 Å²	28	43 Å²	43	13%	0.13	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.3	178.6	-53.3	-80.3	0	0	0	108.6	S407 G408 G412 A413 T415 K420	S407-H410 PolarHBondContact O-NE2 3.07Å; G408-H410 PolarHBondContact O-CD2 3.09Å; G408-H410 PolarHBondContact O-NE2 3.3Å; H410-G412 PolarHBondContact O-N 2.93Å; H410-G412 VanDerWaalsContact O-N 3.07Å; H410-A413 PolarHBondContact N-O 2.83Å; H410-A413 PolarHBondContact O-N 3.29Å; H410-A413 VanDerWaalsContact O-N 3.14Å; H410-T415 PolarHBondContact CD2-OG1 2.66Å; H410-K420 HydrophobicContact CB-CB 4.01Å; H410-K420 HydrophobicContact CB-CD 4.3Å; H410-K420 HydrophobicContact CB-CG 3.89Å; H410-K420 PolarHBondContact CE1-NZ 3.17Å; H410-K420 VanDerWaalsContact ND1-CD 3.33Å; H410-K420 WeakPolarHBondContact ND1-CD 3.3Å; H410-K420 WeakPolarHBondContact ND1-CE 3.45Å; H410-K420 PolarHBondContact ND1-NZ 3.23Å
411	Y	89.8	Confident	92.1	Very high	68 Å²	68	42 Å²	42	27%	0.267	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	15.5	-179.5	-56.7	-75.1	0	0	0	116	K420 F423 K424 M464 T465 L466	Y411-K420 HydrophobicContact CE2-CG 3.91Å; Y411-F423 HydrophobicContact CD1-CD1 4.13Å; Y411-F423 HydrophobicContact CD1-CE1 4.13Å; Y411-F423 AromaticContact CD2-CD1 3.69Å; Y411-F423 HydrophobicContact CD2-CD1 3.69Å; Y411-F423 HydrophobicContact CD2-CE1 4.42Å; Y411-F423 HydrophobicContact CE2-CD1 4.3Å; Y411-F423 AromaticContact CG-CD1 3.6Å; Y411-F423 HydrophobicContact CG-CD1 3.6Å; Y411-F423 AromaticContact CG-CE1 3.87Å; Y411-F423 HydrophobicContact CG-CE1 3.87Å; Y411-K424 HydrophobicContact CE2-CB 4.31Å; Y411-K424 WeakPolarHBondContact OH-CB 3.49Å; Y411-K424 WeakPolarHBondContact OH-CD 3.45Å; Y411-K424 WeakPolarHBondContact OH-CG 3.43Å; Y411-M464 HydrophobicContact CD2-CE 3.88Å; Y411-M464 HydrophobicContact CG-CE 4.36Å; Y411-M464 CarbonylContact O-C 3.48Å; Y411-M464 VanDerWaalsContact O-CA 3.32Å; Y411-M464 WeakPolarHBondContact O-CA 3.43Å; Y411-T465 WeakPolarHBondContact CB-O 3.41Å; Y411-T465 WeakPolarHBondContact CD1-O 3.3Å; Y411-T465 PolarHBondContact O-N 3.4Å; Y411-L466 HydrophobicContact CD1-CD2 4.19Å; Y411-L466 HydrophobicContact CE1-CD2 3.95Å
412	G	81.3	Confident	92.1	Very high	69 Å²	69	43.5 Å²	43.5	71%	0.711	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.3	-18	-177.6	0	0	0	0	0	114.8	H410	H410-G412 PolarHBondContact O-N 2.93Å; H410-G412 VanDerWaalsContact O-N 3.07Å
413	A	85.8	Confident	92.1	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.025	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	151.3	-175	0	0	0	0	0	113.3	L400 C409 H410 T415 A462 M464	L400-A413 HydrophobicContact CD1-CB 4.49Å; C409-A413 CarbonylContact C-O 3.37Å; C409-A413 VanDerWaalsContact CA-O 3.3Å; C409-A413 WeakPolarHBondContact CA-O 3.36Å; H410-A413 PolarHBondContact N-O 2.83Å; H410-A413 PolarHBondContact O-N 3.29Å; H410-A413 VanDerWaalsContact O-N 3.14Å; A413-T415 HydrophobicContact CB-CG2 3.92Å; A413-T415 PolarHBondContact O-N 2.98Å; A413-A462 HydrophobicContact CB-CB 4.33Å; A413-A462 WeakPolarHBondContact CB-O 3.39Å; A413-M464 HydrophobicContact CB-CG 3.47Å; A413-M464 VanDerWaalsContact CB-CG 3.47Å; A413-M464 HydrophobicContact CB-SD 4.26Å
414	L	89.1	Confident	92.1	Very high	30 Å²	30	43.8 Å²	43.8	16%	0.157	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	111.1	171.1	179.7	63.8	0	0	0	109.9	T398 L400 A406	T398-L414 WeakPolarHBondContact O-CD2 3.44Å; L400-L414 HydrophobicContact CD1-CB 4.33Å; L400-L414 HydrophobicContact CG-CB 4.27Å; L400-L414 PolarHBondContact N-O 3.36Å; A406-L414 HydrophobicContact CB-CD1 3.6Å; A406-L414 HydrophobicContact CB-CD2 4.44Å; A406-L414 HydrophobicContact CB-CG 3.67Å
415	T	94.1	Very high	92.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.289	C	S	.	.			trans	-140.7	152.9	-173.1	75.1	0	0	0	0	115	I401 A406 S407 G408 H410 A413 C419 M464	I401-T415 HydrophobicContact CG1-CG2 3.91Å; A406-T415 WeakPolarHBondContact CA-O 3.47Å; S407-T415 PolarHBondContact N-O 2.9Å; G408-T415 PolarHBondContact O-N 2.96Å; H410-T415 PolarHBondContact CD2-OG1 2.66Å; A413-T415 HydrophobicContact CB-CG2 3.92Å; A413-T415 PolarHBondContact O-N 2.98Å; T415-C419 HydrophobicContact CG2-CB 4.45Å; T415-M464 HydrophobicContact CG2-CE 3.88Å; T415-M464 HydrophobicContact CG2-SD 3.82Å
416	C	96.5	Very high	91.9	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.02	26%	0.255	C	S	.	.			trans	-69	155.1	165.9	73	0	0	0	0	111.3	C399 C402 D404 E405 S418 C419 K420 R448	C399-C416 HydrophobicContact CB-CB 3.98Å; C399-C416 PolarHBondContact SG-N 2.72Å; C402-C416 VanDerWaalsContact SG-SG 3.65Å; D404-C416 HydrophobicContact CB-CB 4.1Å; E405-C416 VanDerWaalsContact O-CA 3.26Å; E405-C416 WeakPolarHBondContact O-CA 3.46Å; E405-C416 WeakPolarHBondContact O-CB 3.33Å; C416-S418 PolarHBondContact O-N 3.11Å; C416-S418 VanDerWaalsContact O-N 3.08Å; C416-S418 PolarHBondContact SG-OG 2.57Å; C416-S418 VanDerWaalsContact SG-OG 3.41Å; C416-C419 PolarHBondContact O-N 3.19Å; C416-K420 PolarHBondContact O-N 3.05Å; C416-K420 VanDerWaalsContact O-N 3.16Å; C416-R448 PolarHBondContact SG-NH1 2.87Å
417	G	95.3	Very high	91.6	Very high	33 Å²	33	45.3 Å²	45.3	34%	0.34	27%	0.265	S	S	.	.	H	α-helix	trans	-54.1	-32.3	179.6	0	0	0	0	0	114.5	S407 C419 K420 V421	S407-G417 PolarHBondContact OG-N 2.86Å; G417-C419 PolarHBondContact O-N 3.31Å; G417-K420 WeakPolarHBondContact O-CB 3.48Å; G417-V421 WeakPolarHBondContact O-CG2 3.49Å; G417-V421 PolarHBondContact O-N 3.43Å; G417-V421 VanDerWaalsContact O-N 3.14Å
418	S	95.9	Very high	91.3	Very high	47 Å²	47	47.1 Å²	47.1	33%	0.329	27%	0.265	S	S	.	.	H	α-helix	trans	-69.8	-31.4	177	90.2	0	0	0	0	113.1	C416 F422 R448 R455	C416-S418 PolarHBondContact O-N 3.11Å; C416-S418 VanDerWaalsContact O-N 3.08Å; C416-S418 PolarHBondContact SG-OG 2.57Å; C416-S418 VanDerWaalsContact SG-OG 3.41Å; S418-F422 WeakPolarHBondContact O-CB 3.25Å; S418-F422 PolarHBondContact O-N 3.34Å; S418-R448 PolarHBondContact OG-NH1 2.76Å; S418-R455 PolarHBondContact O-NH2 3.34Å; S418-R455 PolarHBondContact OG-NH2 2.88Å
419	C	97.1	Very high	90.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-79.3	-35.4	177.6	-71.7	0	0	0	0	111.8	I401 C402 T415 C416 G417 F423 R455	I401-C419 HydrophobicContact CB-CB 4.28Å; I401-C419 HydrophobicContact CG1-CB 4.12Å; C402-C419 VanDerWaalsContact SG-SG 3.65Å; T415-C419 HydrophobicContact CG2-CB 4.45Å; C416-C419 PolarHBondContact O-N 3.19Å; G417-C419 PolarHBondContact O-N 3.31Å; C419-F423 VanDerWaalsContact O-CB 3.3Å; C419-F423 WeakPolarHBondContact O-CB 3.12Å; C419-F423 PolarHBondContact O-N 3.07Å; C419-R455 PolarHBondContact SG-NH2 3.5Å
420	K	95.8	Very high	89.8	Confident	81 Å²	81	54.2 Å²	54.2	35%	0.352	29%	0.291	S	S	.	.	H	α-helix	trans	-51.3	-57.6	165.8	175.8	-170.9	-167.3	148.5	0	111.5	H410 Y411 C416 G417 F423 K424	H410-K420 HydrophobicContact CB-CB 4.01Å; H410-K420 HydrophobicContact CB-CD 4.3Å; H410-K420 HydrophobicContact CB-CG 3.89Å; H410-K420 PolarHBondContact CE1-NZ 3.17Å; H410-K420 VanDerWaalsContact ND1-CD 3.33Å; H410-K420 WeakPolarHBondContact ND1-CD 3.3Å; H410-K420 WeakPolarHBondContact ND1-CE 3.45Å; H410-K420 PolarHBondContact ND1-NZ 3.23Å; Y411-K420 HydrophobicContact CE2-CG 3.91Å; C416-K420 PolarHBondContact O-N 3.05Å; C416-K420 VanDerWaalsContact O-N 3.16Å; G417-K420 WeakPolarHBondContact O-CB 3.48Å; K420-F423 PolarHBondContact O-N 3.43Å; K420-K424 PolarHBondContact O-N 3.28Å; K420-K424 VanDerWaalsContact O-N 3.15Å
421	V	95.4	Very high	89.2	Confident	69 Å²	69	59.6 Å²	59.6	42%	0.418	32%	0.316	S	S	.	.	H	α-helix	trans	-69.8	-36.8	-175	176.5	0	0	0	0	111.7	G417 R425	G417-V421 WeakPolarHBondContact O-CG2 3.49Å; G417-V421 PolarHBondContact O-N 3.43Å; G417-V421 VanDerWaalsContact O-N 3.14Å; V421-R425 WeakPolarHBondContact O-CG 3.19Å; V421-R425 PolarHBondContact O-N 3.42Å
422	F	96.6	Very high	88.8	Confident	32 Å²	32	65.7 Å²	65.7	14%	0.14	34%	0.344	C	S	.	.	H	α-helix	trans	-59.6	-54.4	172.3	172.2	-97.3	0	0	0	111.4	S418 K424 R425 A426 P452 R455 L456	S418-F422 WeakPolarHBondContact O-CB 3.25Å; S418-F422 PolarHBondContact O-N 3.34Å; F422-K424 VanDerWaalsContact C-N 3.34Å; F422-K424 PolarHBondContact O-N 3.05Å; F422-R425 PolarHBondContact O-N 3.45Å; F422-A426 HydrophobicContact CD1-CB 4.4Å; F422-A426 HydrophobicContact CD2-CB 4.47Å; F422-A426 HydrophobicContact CE1-CB 3.99Å; F422-A426 HydrophobicContact CE2-CB 4.07Å; F422-A426 HydrophobicContact CZ-CB 3.81Å; F422-A426 WeakPolarHBondContact O-CB 3.42Å; F422-A426 PolarHBondContact O-N 3.16Å; F422-P452 HydrophobicContact CE2-CB 4.18Å; F422-P452 HydrophobicContact CZ-CB 4.33Å; F422-P452 WeakPolarHBondContact CZ-O 3.27Å; F422-R455 HydrophobicContact CD1-CG 3.83Å; F422-R455 HydrophobicContact CE1-CB 3.92Å; F422-R455 HydrophobicContact CE1-CG 3.54Å; F422-R455 HydrophobicContact CZ-CB 4.01Å; F422-R455 HydrophobicContact CZ-CG 4.02Å; F422-L456 HydrophobicContact CE1-CB 4.04Å; F422-L456 HydrophobicContact CZ-CB 4.09Å
423	F	95.4	Very high	89.3	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59.1	-44.4	-176.2	179.8	-103	0	0	0	112	Y411 C419 K420 R425 A426 A427 L456 C459 F460 M464 L466	Y411-F423 HydrophobicContact CD1-CD1 4.13Å; Y411-F423 HydrophobicContact CD1-CE1 4.13Å; Y411-F423 AromaticContact CD2-CD1 3.69Å; Y411-F423 HydrophobicContact CD2-CD1 3.69Å; Y411-F423 HydrophobicContact CD2-CE1 4.42Å; Y411-F423 HydrophobicContact CE2-CD1 4.3Å; Y411-F423 AromaticContact CG-CD1 3.6Å; Y411-F423 HydrophobicContact CG-CD1 3.6Å; Y411-F423 AromaticContact CG-CE1 3.87Å; Y411-F423 HydrophobicContact CG-CE1 3.87Å; C419-F423 VanDerWaalsContact O-CB 3.3Å; C419-F423 WeakPolarHBondContact O-CB 3.12Å; C419-F423 PolarHBondContact O-N 3.07Å; K420-F423 PolarHBondContact O-N 3.43Å; F423-R425 PolarHBondContact O-N 3.38Å; F423-A426 PolarHBondContact O-N 3.44Å; F423-A427 HydrophobicContact CD2-CB 4.39Å; F423-A427 HydrophobicContact CE1-CB 4.34Å; F423-A427 HydrophobicContact CE2-CB 3.97Å; F423-A427 HydrophobicContact CZ-CB 3.94Å; F423-A427 WeakPolarHBondContact O-CB 3.21Å; F423-A427 PolarHBondContact O-N 3.16Å; F423-L456 HydrophobicContact CD2-CD1 4.03Å; F423-L456 HydrophobicContact CE2-CD1 4.23Å; F423-C459 HydrophobicContact CD2-CB 3.45Å; F423-C459 VanDerWaalsContact CD2-CB 3.45Å; F423-C459 HydrophobicContact CE2-CB 4Å; F423-C459 HydrophobicContact CG-CB 4.34Å; F423-F460 AromaticContact CE2-CD1 3.87Å; F423-F460 HydrophobicContact CE2-CD1 3.87Å; F423-F460 AromaticContact CE2-CE1 3.58Å; F423-F460 HydrophobicContact CE2-CE1 3.58Å; F423-F460 HydrophobicContact CE2-CZ 4.05Å; F423-F460 HydrophobicContact CZ-CD1 4.24Å; F423-F460 AromaticContact CZ-CE1 3.82Å; F423-F460 HydrophobicContact CZ-CE1 3.82Å; F423-M464 HydrophobicContact CB-CE 3.54Å; F423-M464 HydrophobicContact CB-SD 4.18Å; F423-M464 HydrophobicContact CD1-CB 4.05Å; F423-M464 HydrophobicContact CD1-CE 3.84Å; F423-M464 HydrophobicContact CD2-CB 3.9Å; F423-M464 HydrophobicContact CD2-CE 4.42Å; F423-M464 HydrophobicContact CD2-SD 4.31Å; F423-M464 HydrophobicContact CE1-CB 3.83Å; F423-M464 HydrophobicContact CE2-CB 3.67Å; F423-M464 HydrophobicContact CG-CB 4.07Å; F423-M464 HydrophobicContact CG-CE 3.66Å; F423-M464 HydrophobicContact CG-SD 4.12Å; F423-M464 VanDerWaalsContact CZ-C 3.41Å; F423-M464 HydrophobicContact CZ-CB 3.64Å; F423-M464 WeakPolarHBondContact CZ-O 3.47Å; F423-L466 HydrophobicContact CD1-CD2 4.24Å; F423-L466 HydrophobicContact CE1-CD2 3.83Å; F423-L466 HydrophobicContact CE1-CG 4.05Å; F423-L466 HydrophobicContact CZ-CG 4.46Å
424	K	93	Very high	89.6	Confident	94 Å²	94	73.2 Å²	73.2	41%	0.409	36%	0.361	S	S	.	.	H	α-helix	trans	-51.5	-58.3	175.2	-168.9	-175.8	178.5	-177.5	0	111.1	Y411 K420 F422 A426 E428	Y411-K424 HydrophobicContact CE2-CB 4.31Å; Y411-K424 WeakPolarHBondContact OH-CB 3.49Å; Y411-K424 WeakPolarHBondContact OH-CD 3.45Å; Y411-K424 WeakPolarHBondContact OH-CG 3.43Å; K420-K424 PolarHBondContact O-N 3.28Å; K420-K424 VanDerWaalsContact O-N 3.15Å; F422-K424 VanDerWaalsContact C-N 3.34Å; F422-K424 PolarHBondContact O-N 3.05Å; K424-A426 VanDerWaalsContact C-N 3.32Å; K424-A426 PolarHBondContact O-N 3.18Å; K424-E428 WeakPolarHBondContact CE-OE1 3.47Å; K424-E428 WeakPolarHBondContact CE-OE2 3.28Å; K424-E428 VanDerWaalsContact CG-CD 3.46Å; K424-E428 HydrophobicContact CG-CG 4.43Å; K424-E428 VanDerWaalsContact CG-OE1 3.23Å; K424-E428 WeakPolarHBondContact CG-OE1 3.3Å; K424-E428 WeakPolarHBondContact CG-OE2 3.38Å; K424-E428 VanDerWaalsContact O-CB 3.25Å; K424-E428 WeakPolarHBondContact O-CB 3.44Å; K424-E428 VanDerWaalsContact O-CG 3.24Å; K424-E428 WeakPolarHBondContact O-CG 3.5Å; K424-E428 PolarHBondContact O-N 2.77Å
425	R	93.5	Very high	89.9	Confident	183 Å²	183	73 Å²	73	69%	0.691	36%	0.362	S	S	*	.	H	α-helix	trans	-63.6	-36.6	-177.8	-66.4	175.3	179.7	-175.8	-0.3	112.9	V421 F422 F423 G429	V421-R425 WeakPolarHBondContact O-CG 3.19Å; V421-R425 PolarHBondContact O-N 3.42Å; F422-R425 PolarHBondContact O-N 3.45Å; F423-R425 PolarHBondContact O-N 3.38Å; R425-G429 WeakPolarHBondContact O-CA 3.13Å; R425-G429 PolarHBondContact O-N 3.23Å; R425-G429 VanDerWaalsContact O-N 3.11Å
426	A	91.4	Very high	89.8	Confident	5 Å²	5	78.5 Å²	78.5	4%	0.041	41%	0.408	C	S	.	.	H	α-helix	trans	-80.8	-28.1	-173.3	0	0	0	0	0	113.5	F422 F423 K424 Y433 L456	F422-A426 HydrophobicContact CD1-CB 4.4Å; F422-A426 HydrophobicContact CD2-CB 4.47Å; F422-A426 HydrophobicContact CE1-CB 3.99Å; F422-A426 HydrophobicContact CE2-CB 4.07Å; F422-A426 HydrophobicContact CZ-CB 3.81Å; F422-A426 WeakPolarHBondContact O-CB 3.42Å; F422-A426 PolarHBondContact O-N 3.16Å; F423-A426 PolarHBondContact O-N 3.44Å; K424-A426 VanDerWaalsContact C-N 3.32Å; K424-A426 PolarHBondContact O-N 3.18Å; A426-Y433 HydrophobicContact CB-CE2 3.68Å; A426-L456 HydrophobicContact CB-CD1 3.84Å; A426-L456 HydrophobicContact CB-CD2 4.19Å; A426-L456 HydrophobicContact CB-CG 4.45Å
427	A	85.4	Confident	89.5	Confident	32 Å²	32	81.1 Å²	81.1	26%	0.264	43%	0.426	S	S	.	.	H	α-helix	trans	-94.9	-26.4	176.4	0	0	0	0	0	113.3	F423 F460 L466	F423-A427 HydrophobicContact CD2-CB 4.39Å; F423-A427 HydrophobicContact CE1-CB 4.34Å; F423-A427 HydrophobicContact CE2-CB 3.97Å; F423-A427 HydrophobicContact CZ-CB 3.94Å; F423-A427 WeakPolarHBondContact O-CB 3.21Å; F423-A427 PolarHBondContact O-N 3.16Å; A427-F460 HydrophobicContact CB-CE1 4.49Å; A427-F460 HydrophobicContact CB-CZ 4.11Å; A427-L466 HydrophobicContact CB-CD1 3.57Å; A427-L466 HydrophobicContact CB-CD2 4.26Å; A427-L466 HydrophobicContact CB-CG 3.83Å
428	E	82.3	Confident	89.3	Confident	115 Å²	115	88.4 Å²	88.4	54%	0.537	45%	0.448	S	S	.	.	H	α-helix	trans	-80.6	-24	171.7	-67.2	172.9	179.1	0	0	112.1	K424 L466	K424-E428 WeakPolarHBondContact CE-OE1 3.47Å; K424-E428 WeakPolarHBondContact CE-OE2 3.28Å; K424-E428 VanDerWaalsContact CG-CD 3.46Å; K424-E428 HydrophobicContact CG-CG 4.43Å; K424-E428 VanDerWaalsContact CG-OE1 3.23Å; K424-E428 WeakPolarHBondContact CG-OE1 3.3Å; K424-E428 WeakPolarHBondContact CG-OE2 3.38Å; K424-E428 VanDerWaalsContact O-CB 3.25Å; K424-E428 WeakPolarHBondContact O-CB 3.44Å; K424-E428 VanDerWaalsContact O-CG 3.24Å; K424-E428 WeakPolarHBondContact O-CG 3.5Å; K424-E428 PolarHBondContact O-N 2.77Å; E428-L466 HydrophobicContact CB-CD1 4.45Å; E428-L466 HydrophobicContact CG-CD1 3.6Å; E428-L466 HydrophobicContact CG-CD2 4.13Å
429	G	75.8	Confident	89	Confident	34 Å²	34	89.9 Å²	89.9	35%	0.351	45%	0.452	S	S	.	.	S	Bend	trans	-82.7	142.1	-174.2	0	0	0	0	0	114.3	R425 Q431	R425-G429 WeakPolarHBondContact O-CA 3.13Å; R425-G429 PolarHBondContact O-N 3.23Å; R425-G429 VanDerWaalsContact O-N 3.11Å; G429-Q431 PolarHBondContact O-N 3.14Å
430	K	66.8	Low	88.8	Confident	213 Å²	213	94.6 Å²	94.6	93%	0.926	48%	0.478	S	S	*	.			trans	-72.3	12.2	172	-62	-177.3	179.3	179.1	0	114.2
431	Q	77.5	Confident	88.7	Confident	141 Å²	141	92.7 Å²	92.7	66%	0.659	47%	0.474	S	S	*	.			trans	-85.1	114.1	-172.6	-67.3	-65.4	-5.2	0	0	111	G429 Y433	G429-Q431 PolarHBondContact O-N 3.14Å; Q431-Y433 PolarHBondContact O-N 3.33Å
432	K	81.3	Confident	88.6	Confident	196 Å²	196	93.6 Å²	93.6	85%	0.852	48%	0.48	S	S	*	.			trans	-80.2	97.8	178	-67.5	-175.3	178.4	-178.1	0	110.4	L434	K432-L434 PolarHBondContact O-N 2.97Å
433	Y	91.5	Very high	88.6	Confident	76 Å²	76	92.4 Å²	92.4	30%	0.298	48%	0.475	S	S	.	.			trans	-74.3	113.4	175.1	-58.3	-70.3	0	0	0	111.6	A426 Q431 P452 S453 L456	A426-Y433 HydrophobicContact CB-CE2 3.68Å; Q431-Y433 PolarHBondContact O-N 3.33Å; Y433-P452 HydrophobicContact CD1-CB 3.42Å; Y433-P452 VanDerWaalsContact CD1-CB 3.42Å; Y433-P452 HydrophobicContact CD1-CG 4.25Å; Y433-P452 HydrophobicContact CE1-CB 3.79Å; Y433-P452 HydrophobicContact CE1-CG 4.5Å; Y433-P452 HydrophobicContact CG-CB 3.88Å; Y433-S453 VanDerWaalsContact O-CB 3.28Å; Y433-S453 WeakPolarHBondContact O-CB 3.2Å; Y433-S453 PolarHBondContact O-OG 3.21Å; Y433-L456 HydrophobicContact CD2-CD2 3.82Å; Y433-L456 HydrophobicContact CE2-CD2 4.21Å
434	L	92	Very high	88.6	Confident	154 Å²	154	94.3 Å²	94.3	81%	0.806	49%	0.485	S	S	*	.			trans	-90.2	153.5	169.5	-58.9	179.1	0	0	0	110.7	K432 S453	K432-L434 PolarHBondContact O-N 2.97Å; L434-S453 WeakPolarHBondContact O-CB 3.39Å
435	C	94.9	Very high	88.6	Confident	25 Å²	25	95.4 Å²	95.4	17%	0.169	49%	0.49	C	S	.	.			trans	-96.5	141.8	171.1	-172.7	0	0	0	0	109.9	S437 N439 C441 C451	C435-S437 VanDerWaalsContact C-N 3.35Å; C435-S437 PolarHBondContact SG-N 3.03Å; C435-S437 PolarHBondContact SG-OG 3.3Å; C435-N439 HydrophobicContact CB-CB 4.47Å; C435-N439 WeakPolarHBondContact CB-OD1 3.31Å; C435-C441 PolarHBondContact SG-SG 3.31Å; C435-C451 VanDerWaalsContact SG-SG 3.62Å
436	A	92.2	Very high	88.6	Confident	116 Å²	116	93.6 Å²	93.6	96%	0.959	49%	0.493	S	S	*	.	S	Bend	trans	-86.3	-5.1	173.1	0	0	0	0	0	113.5
437	S	91.1	Very high	88.6	Confident	58 Å²	58	98.7 Å²	98.7	41%	0.406	51%	0.511	S	S	.	.	S	Bend	trans	-122.5	-154.3	172	72.5	0	0	0	0	110.4	C435 N439 D440 C441	C435-S437 VanDerWaalsContact C-N 3.35Å; C435-S437 PolarHBondContact SG-N 3.03Å; C435-S437 PolarHBondContact SG-OG 3.3Å; S437-N439 PolarHBondContact O-N 2.86Å; S437-N439 VanDerWaalsContact O-N 3.12Å; S437-D440 WeakPolarHBondContact CB-OD1 3.46Å; S437-D440 PolarHBondContact OG-OD1 2.96Å; S437-C441 PolarHBondContact OG-SG 2.87Å
438	K	90.8	Very high	89	Confident	186 Å²	186	98.9 Å²	98.9	81%	0.809	51%	0.505	S	S	*	.	S	Bend	trans	-86.4	31.6	-171.4	-54	178.3	179.9	179.6	0	113.5	D440	K438-D440 HydrophobicContact CB-CB 4.48Å; K438-D440 PolarHBondContact N-OD1 3.33Å; K438-D440 PolarHBondContact O-N 3.07Å
439	N	89.5	Confident	89.5	Confident	77 Å²	77	102 Å²	102	41%	0.412	52%	0.517	S	S	.	.	S	Bend	trans	57.3	35	-173.8	-60.8	-75.2	0	0	0	113.9	C435 S437 K457	C435-N439 HydrophobicContact CB-CB 4.47Å; C435-N439 WeakPolarHBondContact CB-OD1 3.31Å; S437-N439 PolarHBondContact O-N 2.86Å; S437-N439 VanDerWaalsContact O-N 3.12Å; N439-K457 PolarHBondContact O-NZ 2.87Å
440	D	91.8	Very high	90.4	Very high	100 Å²	100	106.3 Å²	106.3	54%	0.535	53%	0.532	S	S	.	.			trans	-126.2	-2.6	-165.9	59.7	-18.2	0	0	0	114.5	S437 K438 T442	S437-D440 WeakPolarHBondContact CB-OD1 3.46Å; S437-D440 PolarHBondContact OG-OD1 2.96Å; K438-D440 HydrophobicContact CB-CB 4.48Å; K438-D440 PolarHBondContact N-OD1 3.33Å; K438-D440 PolarHBondContact O-N 3.07Å; D440-T442 PolarHBondContact O-N 3.5Å
441	C	95.1	Very high	91.9	Very high	40 Å²	40	96.6 Å²	96.6	27%	0.27	49%	0.49	S	S	.	.			trans	-53.6	129.2	-174.1	-44.4	0	0	0	0	114.1	C435 S437 I443 C451 C454	C435-C441 PolarHBondContact SG-SG 3.31Å; S437-C441 PolarHBondContact OG-SG 2.87Å; C441-I443 PolarHBondContact O-N 3.23Å; C441-C451 HydrophobicContact CB-CB 3.82Å; C441-C451 VanDerWaalsContact SG-CB 3.53Å; C441-C454 HydrophobicContact CB-CB 3.95Å; C441-C454 PolarHBondContact N-SG 3.19Å
442	T	93.1	Very high	92.7	Very high	88 Å²	88	91.9 Å²	91.9	54%	0.54	47%	0.472	S	S	.	.			trans	-63	129	172.7	-33.9	0	0	0	0	111.6	D440	D440-T442 PolarHBondContact O-N 3.5Å
443	I	96.4	Very high	93.3	Very high	8 Å²	8	83.4 Å²	83.4	4%	0.041	44%	0.438	C	S	.	.			trans	-109.4	114.1	179.6	-53.2	-58.1	0	0	0	110.3	I401 C402 C441 R448 C454 R455 K458	I401-I443 HydrophobicContact CG2-CG2 4.26Å; I401-I443 VanDerWaalsContact O-CG2 3.28Å; I401-I443 WeakPolarHBondContact O-CG2 3.35Å; C402-I443 HydrophobicContact CB-CG2 3.95Å; C441-I443 PolarHBondContact O-N 3.23Å; I443-R448 HydrophobicContact CG2-CB 3.9Å; I443-C454 HydrophobicContact CD1-CB 4.04Å; I443-C454 HydrophobicContact CG1-CB 4.42Å; I443-R455 HydrophobicContact CD1-CB 4.07Å; I443-R455 HydrophobicContact CG1-CB 4.4Å; I443-R455 HydrophobicContact CG2-CB 4.43Å; I443-R455 HydrophobicContact CG2-CG 4.15Å; I443-K458 HydrophobicContact CB-CD 4.12Å; I443-K458 HydrophobicContact CG1-CD 4.34Å
444	D	95.3	Very high	93.6	Very high	39 Å²	39	80.1 Å²	80.1	21%	0.209	43%	0.426	C	S	.	.			trans	-136.4	-178	176.6	62.7	41.4	0	0	0	111.6	C402 L446 R447 R448	C402-D444 CarbonylContact O-C 3.29Å; C402-D444 VanDerWaalsContact O-C 3.29Å; C402-D444 WeakPolarHBondContact O-CA 3.5Å; D444-L446 PolarHBondContact O-N 3.47Å; D444-L446 VanDerWaalsContact O-N 3.12Å; D444-L446 PolarHBondContact OD1-N 3.06Å; D444-R447 PolarHBondContact OD1-N 2.79Å; D444-R447 IonicContact OD1-NE 3.53Å; D444-R447 IonicContact OD2-CZ 2.77Å; D444-R447 IonicContact OD2-NE 3.06Å; D444-R447 PolarHBondContact OD2-NE 2.76Å; D444-R447 IonicContact OD2-NH2 2.69Å; D444-R447 PolarHBondContact OD2-NH2 3.33Å; D444-R448 WeakPolarHBondContact O-CB 3.31Å; D444-R448 WeakPolarHBondContact O-CG 3.49Å; D444-R448 PolarHBondContact O-N 2.82Å
445	K	93.3	Very high	93.8	Very high	118 Å²	118	73.6 Å²	73.6	51%	0.513	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-31	-176.3	-173.9	170.2	-175.5	150.3	0	113.7	C402 D404 R448	C402-K445 PolarHBondContact O-N 3.25Å; D404-K445 HydrophobicContact CB-CB 4.21Å; D404-K445 HydrophobicContact CB-CD 4.2Å; D404-K445 HydrophobicContact CB-CG 4.09Å; D404-K445 VanDerWaalsContact OD1-CD 3.23Å; D404-K445 WeakPolarHBondContact OD1-CD 3.45Å; D404-K445 WeakPolarHBondContact OD1-CE 3.32Å; D404-K445 IonicContact OD1-NZ 2.74Å; D404-K445 PolarHBondContact OD1-NZ 3.05Å; K445-R448 PolarHBondContact O-NE 3.29Å
446	L	93.1	Very high	93.8	Very high	144 Å²	144	73.6 Å²	73.6	75%	0.754	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-55.7	-177.7	-57.3	177.5	0	0	0	110.9	D444 R448	D444-L446 PolarHBondContact O-N 3.47Å; D444-L446 VanDerWaalsContact O-N 3.12Å; D444-L446 PolarHBondContact OD1-N 3.06Å; L446-R448 VanDerWaalsContact C-N 3.32Å; L446-R448 PolarHBondContact O-N 3.28Å
447	R	91.6	Very high	93.9	Very high	113 Å²	113	72.5 Å²	72.5	43%	0.426	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-78.2	-7.2	-171.7	-64.8	-177.4	-71.4	170.6	-3	114.6	D444 K449 N450	D444-R447 PolarHBondContact OD1-N 2.79Å; D444-R447 IonicContact OD1-NE 3.53Å; D444-R447 IonicContact OD2-CZ 2.77Å; D444-R447 IonicContact OD2-NE 3.06Å; D444-R447 PolarHBondContact OD2-NE 2.76Å; D444-R447 IonicContact OD2-NH2 2.69Å; D444-R447 PolarHBondContact OD2-NH2 3.33Å; R447-K449 PolarHBondContact O-N 3.45Å; R447-N450 WeakPolarHBondContact CA-OD1 3.32Å; R447-N450 WeakPolarHBondContact O-CB 3.14Å; R447-N450 PolarHBondContact O-N 3.27Å; R447-N450 PolarHBondContact O-OD1 3.16Å
448	R	93.8	Very high	94.1	Very high	36 Å²	36	72.7 Å²	72.7	14%	0.136	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-59.9	-4.6	173.6	64.3	-175	174	-179.2	-3.9	115.9	C402 D404 C416 S418 I443 D444 K445 L446 R455	C402-R448 HydrophobicContact CB-CB 4.25Å; C402-R448 PolarHBondContact SG-NH1 3.35Å; D404-R448 IonicContact OD2-CZ 3.48Å; D404-R448 IonicContact OD2-NH1 3.34Å; D404-R448 PolarHBondContact OD2-NH1 2.89Å; D404-R448 IonicContact OD2-NH2 3.52Å; D404-R448 PolarHBondContact OD2-NH2 3.42Å; C416-R448 PolarHBondContact SG-NH1 2.87Å; S418-R448 PolarHBondContact OG-NH1 2.76Å; I443-R448 HydrophobicContact CG2-CB 3.9Å; D444-R448 WeakPolarHBondContact O-CB 3.31Å; D444-R448 WeakPolarHBondContact O-CG 3.49Å; D444-R448 PolarHBondContact O-N 2.82Å; K445-R448 PolarHBondContact O-NE 3.29Å; L446-R448 VanDerWaalsContact C-N 3.32Å; L446-R448 PolarHBondContact O-N 3.28Å; R448-R455 VanDerWaalsContact O-CD 3.27Å; R448-R455 WeakPolarHBondContact O-CD 3.39Å; R448-R455 PolarHBondContact O-NH1 3.36Å
449	K	93.8	Very high	94.3	Very high	179 Å²	179	63.9 Å²	63.9	78%	0.778	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-91.4	-26.6	168.3	-68.6	-175.4	178.6	-179.6	0	112.6	R447	R447-K449 PolarHBondContact O-N 3.45Å
450	N	94.7	Very high	94.4	Very high	125 Å²	125	65.3 Å²	65.3	67%	0.668	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-33.1	-165	-56.2	34.8	0	0	0	113.1	R447	R447-N450 WeakPolarHBondContact CA-OD1 3.32Å; R447-N450 WeakPolarHBondContact O-CB 3.14Å; R447-N450 PolarHBondContact O-N 3.27Å; R447-N450 PolarHBondContact O-OD1 3.16Å
451	C	96.3	Very high	94.4	Very high	9 Å²	9	66.7 Å²	66.7	6%	0.061	32%	0.323	C	S	.	.			trans	-134.4	94.7	176.1	-172.4	0	0	0	0	111.8	C435 C441 S453 C454 R455	C435-C451 VanDerWaalsContact SG-SG 3.62Å; C441-C451 HydrophobicContact CB-CB 3.82Å; C441-C451 VanDerWaalsContact SG-CB 3.53Å; C451-S453 VanDerWaalsContact C-N 3.26Å; C451-S453 PolarHBondContact O-N 3.39Å; C451-C454 HydrophobicContact CB-CB 4.29Å; C451-C454 PolarHBondContact SG-N 3.13Å; C451-C454 VanDerWaalsContact SG-N 3.39Å; C451-C454 PolarHBondContact SG-SG 3.34Å; C451-R455 WeakPolarHBondContact O-CB 3.26Å; C451-R455 PolarHBondContact O-N 2.91Å
452	P	94.6	Very high	94	Very high	43 Å²	43	66.2 Å²	66.2	28%	0.279	32%	0.323	S	S	.	.	H	α-helix	trans	-59.1	-34.3	172.4	-27.4	37.2	0	0	0	113.5	F422 Y433 R455 L456	F422-P452 HydrophobicContact CE2-CB 4.18Å; F422-P452 HydrophobicContact CZ-CB 4.33Å; F422-P452 WeakPolarHBondContact CZ-O 3.27Å; Y433-P452 HydrophobicContact CD1-CB 3.42Å; Y433-P452 VanDerWaalsContact CD1-CB 3.42Å; Y433-P452 HydrophobicContact CD1-CG 4.25Å; Y433-P452 HydrophobicContact CE1-CB 3.79Å; Y433-P452 HydrophobicContact CE1-CG 4.5Å; Y433-P452 HydrophobicContact CG-CB 3.88Å; P452-R455 PolarHBondContact O-N 3.08Å; P452-L456 WeakPolarHBondContact O-CB 3.39Å; P452-L456 PolarHBondContact O-N 3.26Å
453	S	95.4	Very high	93.5	Very high	18 Å²	18	64.1 Å²	64.1	13%	0.126	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-56.9	-178.5	-171.2	0	0	0	0	111.9	Y433 L434 C451 R455 L456 K457	Y433-S453 VanDerWaalsContact O-CB 3.28Å; Y433-S453 WeakPolarHBondContact O-CB 3.2Å; Y433-S453 PolarHBondContact O-OG 3.21Å; L434-S453 WeakPolarHBondContact O-CB 3.39Å; C451-S453 VanDerWaalsContact C-N 3.26Å; C451-S453 PolarHBondContact O-N 3.39Å; S453-R455 PolarHBondContact O-N 2.85Å; S453-L456 PolarHBondContact O-N 2.81Å; S453-L456 VanDerWaalsContact O-N 3.13Å; S453-K457 WeakPolarHBondContact O-CB 3.29Å; S453-K457 PolarHBondContact O-N 2.9Å
454	C	96.4	Very high	93.3	Very high	6 Å²	6	63.8 Å²	63.8	4%	0.041	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-31.9	175.9	-63	0	0	0	0	112.6	C441 I443 C451 K458	C441-C454 HydrophobicContact CB-CB 3.95Å; C441-C454 PolarHBondContact N-SG 3.19Å; I443-C454 HydrophobicContact CD1-CB 4.04Å; I443-C454 HydrophobicContact CG1-CB 4.42Å; C451-C454 HydrophobicContact CB-CB 4.29Å; C451-C454 PolarHBondContact SG-N 3.13Å; C451-C454 VanDerWaalsContact SG-N 3.39Å; C451-C454 PolarHBondContact SG-SG 3.34Å; C454-K458 VanDerWaalsContact O-CB 3.29Å; C454-K458 WeakPolarHBondContact O-CB 3.27Å; C454-K458 PolarHBondContact O-N 2.99Å
455	R	97.1	Very high	92.8	Very high	18 Å²	18	65.6 Å²	65.6	7%	0.068	33%	0.329	C	S	.	.	H	α-helix	trans	-66.9	-42.7	174.2	-172	178.8	-178.2	178.2	-3.8	112.5	I401 S418 C419 F422 I443 R448 C451 P452 S453 K458 C459	I401-R455 HydrophobicContact CG2-CG 4.11Å; S418-R455 PolarHBondContact O-NH2 3.34Å; S418-R455 PolarHBondContact OG-NH2 2.88Å; C419-R455 PolarHBondContact SG-NH2 3.5Å; F422-R455 HydrophobicContact CD1-CG 3.83Å; F422-R455 HydrophobicContact CE1-CB 3.92Å; F422-R455 HydrophobicContact CE1-CG 3.54Å; F422-R455 HydrophobicContact CZ-CB 4.01Å; F422-R455 HydrophobicContact CZ-CG 4.02Å; I443-R455 HydrophobicContact CD1-CB 4.07Å; I443-R455 HydrophobicContact CG1-CB 4.4Å; I443-R455 HydrophobicContact CG2-CB 4.43Å; I443-R455 HydrophobicContact CG2-CG 4.15Å; R448-R455 VanDerWaalsContact O-CD 3.27Å; R448-R455 WeakPolarHBondContact O-CD 3.39Å; R448-R455 PolarHBondContact O-NH1 3.36Å; C451-R455 WeakPolarHBondContact O-CB 3.26Å; C451-R455 PolarHBondContact O-N 2.91Å; P452-R455 PolarHBondContact O-N 3.08Å; S453-R455 PolarHBondContact O-N 2.85Å; R455-K458 PolarHBondContact O-N 2.84Å; R455-C459 PolarHBondContact O-N 3.5Å; R455-C459 PolarHBondContact O-SG 3.03Å
456	L	95.2	Very high	92.2	Very high	25 Å²	25	63.4 Å²	63.4	13%	0.131	32%	0.322	C	S	.	.	H	α-helix	trans	-69.2	-43.4	177.6	179.7	59	0	0	0	111.3	F422 F423 A426 Y433 P452 S453 K458 C459 F460	F422-L456 HydrophobicContact CE1-CB 4.04Å; F422-L456 HydrophobicContact CZ-CB 4.09Å; F423-L456 HydrophobicContact CD2-CD1 4.03Å; F423-L456 HydrophobicContact CE2-CD1 4.23Å; A426-L456 HydrophobicContact CB-CD1 3.84Å; A426-L456 HydrophobicContact CB-CD2 4.19Å; A426-L456 HydrophobicContact CB-CG 4.45Å; Y433-L456 HydrophobicContact CD2-CD2 3.82Å; Y433-L456 HydrophobicContact CE2-CD2 4.21Å; P452-L456 WeakPolarHBondContact O-CB 3.39Å; P452-L456 PolarHBondContact O-N 3.26Å; S453-L456 PolarHBondContact O-N 2.81Å; S453-L456 VanDerWaalsContact O-N 3.13Å; L456-K458 VanDerWaalsContact C-N 3.35Å; L456-K458 PolarHBondContact O-N 2.98Å; L456-C459 WeakPolarHBondContact O-CB 3.41Å; L456-C459 PolarHBondContact O-N 3.31Å; L456-C459 VanDerWaalsContact O-N 3.09Å; L456-F460 HydrophobicContact CD1-CD2 4.14Å; L456-F460 HydrophobicContact CD1-CE2 3.56Å; L456-F460 HydrophobicContact CD1-CZ 3.96Å; L456-F460 HydrophobicContact CD2-CE2 4.11Å; L456-F460 HydrophobicContact CG-CD2 4.08Å; L456-F460 HydrophobicContact CG-CE2 3.59Å; L456-F460 HydrophobicContact CG-CZ 4.43Å; L456-F460 WeakPolarHBondContact O-CD2 3.47Å; L456-F460 PolarHBondContact O-N 3.46Å; L456-F460 VanDerWaalsContact O-N 3.1Å
457	K	94.1	Very high	90.6	Very high	93 Å²	93	58.8 Å²	58.8	40%	0.404	31%	0.31	S	S	.	.	H	α-helix	trans	-50.9	-53.3	169.6	171.7	177.8	165.3	-175.7	0	110.8	N439 S453 C459 F460 E461	N439-K457 PolarHBondContact O-NZ 2.87Å; S453-K457 WeakPolarHBondContact O-CB 3.29Å; S453-K457 PolarHBondContact O-N 2.9Å; K457-C459 VanDerWaalsContact C-N 3.27Å; K457-C459 PolarHBondContact O-N 3.47Å; K457-F460 PolarHBondContact O-N 3.35Å; K457-E461 WeakPolarHBondContact CE-OE1 3.38Å; K457-E461 HydrophobicContact CG-CG 4.38Å; K457-E461 VanDerWaalsContact CG-OE1 3.32Å; K457-E461 WeakPolarHBondContact CG-OE1 3.45Å; K457-E461 WeakPolarHBondContact O-CG 3.45Å; K457-E461 PolarHBondContact O-N 2.83Å
458	K	95.1	Very high	88.4	Confident	62 Å²	62	58.2 Å²	58.2	27%	0.27	33%	0.329	S	S	.	.	H	α-helix	trans	-63.4	-26.6	178	-166.3	174.2	177.8	-166.3	0	114.2	L400 I401 I443 C454 R455 L456 E461 A462	L400-K458 VanDerWaalsContact O-CE 3.24Å; L400-K458 WeakPolarHBondContact O-CE 3.43Å; L400-K458 PolarHBondContact O-NZ 3.25Å; I401-K458 WeakPolarHBondContact O-CD 3.46Å; I401-K458 VanDerWaalsContact O-CE 3.29Å; I401-K458 WeakPolarHBondContact O-CE 3.22Å; I401-K458 PolarHBondContact O-NZ 3.43Å; I443-K458 HydrophobicContact CB-CD 4.12Å; I443-K458 HydrophobicContact CG1-CD 4.34Å; C454-K458 VanDerWaalsContact O-CB 3.29Å; C454-K458 WeakPolarHBondContact O-CB 3.27Å; C454-K458 PolarHBondContact O-N 2.99Å; R455-K458 PolarHBondContact O-N 2.84Å; L456-K458 VanDerWaalsContact C-N 3.35Å; L456-K458 PolarHBondContact O-N 2.98Å; K458-E461 WeakPolarHBondContact CA-OE2 3.4Å; K458-A462 VanDerWaalsContact O-CB 3.28Å; K458-A462 WeakPolarHBondContact O-CB 3.33Å; K458-A462 PolarHBondContact O-N 3.45Å
459	C	94.4	Very high	85.9	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-67.5	-45.5	170.1	-72.9	0	0	0	0	112.2	I401 F423 R455 L456 K457 A462 G463 M464	I401-C459 HydrophobicContact CD1-CB 4.4Å; F423-C459 HydrophobicContact CD2-CB 3.45Å; F423-C459 VanDerWaalsContact CD2-CB 3.45Å; F423-C459 HydrophobicContact CE2-CB 4Å; F423-C459 HydrophobicContact CG-CB 4.34Å; R455-C459 PolarHBondContact O-N 3.5Å; R455-C459 PolarHBondContact O-SG 3.03Å; L456-C459 WeakPolarHBondContact O-CB 3.41Å; L456-C459 PolarHBondContact O-N 3.31Å; L456-C459 VanDerWaalsContact O-N 3.09Å; K457-C459 VanDerWaalsContact C-N 3.27Å; K457-C459 PolarHBondContact O-N 3.47Å; C459-A462 PolarHBondContact O-N 3.39Å; C459-G463 PolarHBondContact O-N 3.23Å; C459-M464 HydrophobicContact CB-CB 4.26Å; C459-M464 HydrophobicContact CB-CG 4.28Å; C459-M464 HydrophobicContact CB-SD 3.62Å; C459-M464 WeakPolarHBondContact O-CB 3.32Å; C459-M464 VanDerWaalsContact O-CG 3.3Å; C459-M464 WeakPolarHBondContact O-CG 3.49Å; C459-M464 PolarHBondContact O-N 2.86Å
460	F	92.4	Very high	83.1	Confident	108 Å²	108	68.2 Å²	68.2	47%	0.474	37%	0.368	S	S	.	.	H	α-helix	trans	-67.3	-40	175.9	-67.4	-58.4	0	0	0	112.2	F423 A427 L456 K457 A462 G463 M464	F423-F460 AromaticContact CE2-CD1 3.87Å; F423-F460 HydrophobicContact CE2-CD1 3.87Å; F423-F460 AromaticContact CE2-CE1 3.58Å; F423-F460 HydrophobicContact CE2-CE1 3.58Å; F423-F460 HydrophobicContact CE2-CZ 4.05Å; F423-F460 HydrophobicContact CZ-CD1 4.24Å; F423-F460 AromaticContact CZ-CE1 3.82Å; F423-F460 HydrophobicContact CZ-CE1 3.82Å; A427-F460 HydrophobicContact CB-CE1 4.49Å; A427-F460 HydrophobicContact CB-CZ 4.11Å; L456-F460 HydrophobicContact CD1-CD2 4.14Å; L456-F460 HydrophobicContact CD1-CE2 3.56Å; L456-F460 HydrophobicContact CD1-CZ 3.96Å; L456-F460 HydrophobicContact CD2-CE2 4.11Å; L456-F460 HydrophobicContact CG-CD2 4.08Å; L456-F460 HydrophobicContact CG-CE2 3.59Å; L456-F460 HydrophobicContact CG-CZ 4.43Å; L456-F460 WeakPolarHBondContact O-CD2 3.47Å; L456-F460 PolarHBondContact O-N 3.46Å; L456-F460 VanDerWaalsContact O-N 3.1Å; K457-F460 PolarHBondContact O-N 3.35Å; F460-A462 PolarHBondContact O-N 2.88Å; F460-G463 PolarHBondContact O-N 2.67Å; F460-M464 WeakPolarHBondContact CD1-O 3.4Å
461	E	90.8	Very high	80.1	Confident	128 Å²	128	70.7 Å²	70.7	60%	0.598	38%	0.38	S	S	*	.	H	α-helix	trans	-60.7	-33.2	173.8	-68.9	166.9	162.5	0	0	112.3	K457 K458 G463	K457-E461 WeakPolarHBondContact CE-OE1 3.38Å; K457-E461 HydrophobicContact CG-CG 4.38Å; K457-E461 VanDerWaalsContact CG-OE1 3.32Å; K457-E461 WeakPolarHBondContact CG-OE1 3.45Å; K457-E461 WeakPolarHBondContact O-CG 3.45Å; K457-E461 PolarHBondContact O-N 2.83Å; K458-E461 WeakPolarHBondContact CA-OE2 3.4Å; E461-G463 PolarHBondContact O-N 2.9Å
462	A	86.8	Confident	77	Confident	31 Å²	31	79.4 Å²	79.4	26%	0.256	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	11.9	172.5	0	0	0	0	0	114.1	L400 I401 A413 K458 C459 F460 M464	L400-A462 HydrophobicContact CB-CB 4.43Å; I401-A462 HydrophobicContact CD1-CB 3.48Å; I401-A462 VanDerWaalsContact CD1-CB 3.48Å; A413-A462 HydrophobicContact CB-CB 4.33Å; A413-A462 WeakPolarHBondContact CB-O 3.39Å; K458-A462 VanDerWaalsContact O-CB 3.28Å; K458-A462 WeakPolarHBondContact O-CB 3.33Å; K458-A462 PolarHBondContact O-N 3.45Å; C459-A462 PolarHBondContact O-N 3.39Å; F460-A462 PolarHBondContact O-N 2.88Å; A462-M464 PolarHBondContact O-N 3.24Å
463	G	83.8	Confident	74.2	Confident	44 Å²	44	87.3 Å²	87.3	45%	0.454	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	14.3	177.1	0	0	0	0	0	115.5	C459 F460 E461 T465	C459-G463 PolarHBondContact O-N 3.23Å; F460-G463 PolarHBondContact O-N 2.67Å; E461-G463 PolarHBondContact O-N 2.9Å; G463-T465 PolarHBondContact O-N 3.48Å
464	M	90.9	Very high	71.2	Confident	1 Å²	1	94.5 Å²	94.5	1%	0.005	48%	0.482	C	S	.	.			trans	-70	127.2	178	-60.6	-176.1	76.8	0	0	111.1	I401 Y411 A413 T415 F423 C459 F460 A462	I401-M464 HydrophobicContact CD1-SD 3.95Å; I401-M464 HydrophobicContact CG1-SD 4.14Å; Y411-M464 HydrophobicContact CD2-CE 3.88Å; Y411-M464 HydrophobicContact CG-CE 4.36Å; Y411-M464 CarbonylContact O-C 3.48Å; Y411-M464 VanDerWaalsContact O-CA 3.32Å; Y411-M464 WeakPolarHBondContact O-CA 3.43Å; A413-M464 HydrophobicContact CB-CG 3.47Å; A413-M464 VanDerWaalsContact CB-CG 3.47Å; A413-M464 HydrophobicContact CB-SD 4.26Å; T415-M464 HydrophobicContact CG2-CE 3.88Å; T415-M464 HydrophobicContact CG2-SD 3.82Å; F423-M464 HydrophobicContact CB-CE 3.54Å; F423-M464 HydrophobicContact CB-SD 4.18Å; F423-M464 HydrophobicContact CD1-CB 4.05Å; F423-M464 HydrophobicContact CD1-CE 3.84Å; F423-M464 HydrophobicContact CD2-CB 3.9Å; F423-M464 HydrophobicContact CD2-CE 4.42Å; F423-M464 HydrophobicContact CD2-SD 4.31Å; F423-M464 HydrophobicContact CE1-CB 3.83Å; F423-M464 HydrophobicContact CE2-CB 3.67Å; F423-M464 HydrophobicContact CG-CB 4.07Å; F423-M464 HydrophobicContact CG-CE 3.66Å; F423-M464 HydrophobicContact CG-SD 4.12Å; F423-M464 VanDerWaalsContact CZ-C 3.41Å; F423-M464 HydrophobicContact CZ-CB 3.64Å; F423-M464 WeakPolarHBondContact CZ-O 3.47Å; C459-M464 HydrophobicContact CB-CB 4.26Å; C459-M464 HydrophobicContact CB-CG 4.28Å; C459-M464 HydrophobicContact CB-SD 3.62Å; C459-M464 WeakPolarHBondContact O-CB 3.32Å; C459-M464 VanDerWaalsContact O-CG 3.3Å; C459-M464 WeakPolarHBondContact O-CG 3.49Å; C459-M464 PolarHBondContact O-N 2.86Å; F460-M464 WeakPolarHBondContact CD1-O 3.4Å; A462-M464 PolarHBondContact O-N 3.24Å
465	T	86.4	Confident	68	Low	76 Å²	76	97.1 Å²	97.1	47%	0.466	51%	0.51	S	S	.	.			trans	-135.9	144.3	177.5	60.1	0	0	0	0	111.6	Y411 G463 G467	Y411-T465 WeakPolarHBondContact CB-O 3.41Å; Y411-T465 WeakPolarHBondContact CD1-O 3.3Å; Y411-T465 PolarHBondContact O-N 3.4Å; G463-T465 PolarHBondContact O-N 3.48Å; T465-G467 VanDerWaalsContact C-N 3.35Å
466	L	80.8	Confident	64.9	Low	72 Å²	72	105.3 Å²	105.3	38%	0.377	55%	0.549	S	S	.	.	S	Bend	trans	-77.1	-25	172.1	-65.2	176.3	0	0	0	112.4	Y411 F423 A427 E428	Y411-L466 HydrophobicContact CD1-CD2 4.19Å; Y411-L466 HydrophobicContact CE1-CD2 3.95Å; F423-L466 HydrophobicContact CD1-CD2 4.24Å; F423-L466 HydrophobicContact CE1-CD2 3.83Å; F423-L466 HydrophobicContact CE1-CG 4.05Å; F423-L466 HydrophobicContact CZ-CG 4.46Å; A427-L466 HydrophobicContact CB-CD1 3.57Å; A427-L466 HydrophobicContact CB-CD2 4.26Å; A427-L466 HydrophobicContact CB-CG 3.83Å; E428-L466 HydrophobicContact CB-CD1 4.45Å; E428-L466 HydrophobicContact CG-CD1 3.6Å; E428-L466 HydrophobicContact CG-CD2 4.13Å
467	G	57.9	Low	61.8	Low	47 Å²	47	113.6 Å²	113.6	49%	0.485	59%	0.587	S	S	.	*			trans	-104.3	81.8	-171.4	0	0	0	0	0	113.2	T465 R469	T465-G467 VanDerWaalsContact C-N 3.35Å; G467-R469 PolarHBondContact O-N 2.77Å
468	A	45.7	Very low	58.7	Low	102 Å²	102	118.1 Å²	118.1	84%	0.843	61%	0.607	S	S	*	*	S	Bend	trans	-68.4	13	162.6	0	0	0	0	0	113.2
469	R	42.3	Very low	55.2	Low	217 Å²	217	122.8 Å²	122.8	82%	0.819	64%	0.635	S	S	*	*	S	Bend	trans	-145.9	137.5	173.6	-57	-174.6	-167	-119.5	0.8	108.2	G467	G467-R469 PolarHBondContact O-N 2.77Å
470	K	33.7	Very low	52.3	Low	207 Å²	207	128 Å²	128	90%	0.9	67%	0.668	S	S	*	*			trans	65.5	86.6	-179.7	-61.7	-179	178.5	175.9	0	116.7
471	L	32.7	Very low	49.1	Very low	177 Å²	177	130.9 Å²	130.9	93%	0.927	68%	0.684	S	S	*	*			trans	-86.3	119.6	148.2	-175.7	65.6	0	0	0	108.9
472	K	31	Very low	46	Very low	193 Å²	193	134.3 Å²	134.3	84%	0.839	70%	0.7	S	S	*	*			trans	-123.8	149.7	162.4	-92.5	-164.8	172.9	-170.6	0	108.8	I474	K472-I474 PolarHBondContact O-N 2.77Å
473	K	36.5	Very low	43.1	Very low	209 Å²	209	140.7 Å²	140.7	91%	0.909	72%	0.724	S	S	*	*			trans	-53.1	131.9	-169.2	-66.7	-178.9	175.7	-177.4	0	113.4
474	I	32.4	Very low	40.7	Very low	169 Å²	169	145.9 Å²	145.9	87%	0.867	74%	0.736	S	S	*	*			trans	-124.8	131.4	140.7	-56.3	175.3	0	0	0	104.2	K472	K472-I474 PolarHBondContact O-N 2.77Å
475	G	29.1	Very low	38.2	Very low	60 Å²	60	151.2 Å²	151.2	62%	0.619	77%	0.771	S	S	*	*			cis	142.1	97.1	3.5	0	0	0	0	0	108.1	Q477	G475-Q477 PolarHBondContact O-N 3.32Å
476	Q	31.6	Very low	35.2	Very low	190 Å²	190	151.2 Å²	151.2	89%	0.888	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-61.2	133.8	-176.7	-67.4	165.1	-38.2	0	0	110.7
477	Q	30.3	Very low	32.6	Very low	199 Å²	199	157.4 Å²	157.4	93%	0.93	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-86.2	121.5	156.7	-74.6	-168.6	-52.4	0	0	108.7	G475	G475-Q477 PolarHBondContact O-N 3.32Å
478	K	27.4	Very low	30.9	Very low	189 Å²	189	164.4 Å²	164.4	82%	0.822	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-92.8	156	155.8	-72.7	-173	171.8	-169.4	0	108.6
479	N	23	Very low	30.2	Very low	159 Å²	159	163.8 Å²	163.8	85%	0.85	83%	0.828	S	S	*	*			trans	-108.3	156.5	156.6	-114.2	4.7	0	0	0	108.9
480	P	32.1	Very low	30.1	Very low	109 Å²	109	159 Å²	159	71%	0.708	83%	0.825	S	S	*	*			trans	-88.6	-178.6	-173	36.4	-36.4	0	0	0	114.8
481	E	26.3	Very low	29.7	Very low	170 Å²	170	158.5 Å²	158.5	79%	0.794	83%	0.826	S	S	*	*			trans	-80.1	166.7	-167.3	-56.5	100.6	132.2	0	0	117.7
482	E	26.3	Very low	29.7	Very low	200 Å²	200	156.8 Å²	156.8	94%	0.935	82%	0.823	S	S	*	*			trans	-137.5	166.6	144.6	-78.7	-162.9	137.4	0	0	109.7
483	E	25.2	Very low	29.8	Very low	165 Å²	165	152.6 Å²	152.6	77%	0.771	82%	0.815	S	S	*	*			trans	-128.2	-180	-157.3	-38.6	-171.7	142.9	0	0	114.5
484	H	33.7	Very low	29.6	Very low	152 Å²	152	151.7 Å²	151.7	70%	0.704	81%	0.814	S	S	*	*			cis	-140.9	-76.8	1	-148.6	122.1	0	0	0	115.8
485	P	37.8	Very low	29.4	Very low	113 Å²	113	150.6 Å²	150.6	73%	0.734	81%	0.81	S	S	*	*			trans	-128.2	131.3	-140	33.9	-13.9	0	0	0	118.8
486	G	23.5	Very low	29.3	Very low	77 Å²	77	156.7 Å²	156.7	79%	0.794	82%	0.824	S	S	*	*				79.4	121	116.3	0	0	0	0	0	121.7
487	Q	27.1	Very low	29.3	Very low	202 Å²	202	152.8 Å²	152.8	94%	0.944	82%	0.818	S	S	*	*			trans	-162.8	152	133	-112.2	173.7	-6.8	0	0	110.8
488	E	22.3	Very low	30.4	Very low	193 Å²	193	148.3 Å²	148.3	90%	0.902	81%	0.807	S	S	*	*			trans	-121	176.5	-177.2	-74.1	-166.1	125	0	0	112.5
489	A	30.7	Very low	30.7	Very low	90 Å²	90	149 Å²	149	74%	0.744	81%	0.81	S	S	*	*			trans	94.9	163.4	154.4	0	0	0	0	0	116.7
490	P	39.5	Very low	31.1	Very low	116 Å²	116	147.3 Å²	147.3	75%	0.753	81%	0.81	S	S	*	*				-143.6	149.2	-95.9	36.2	-15.7	0	0	0	116.8
491	E	26.1	Very low	31.4	Very low	197 Å²	197	145.1 Å²	145.1	92%	0.921	81%	0.807	S	S	*	*			trans	-135.7	165.1	162.4	-72.3	-159.5	153.7	0	0	113.2
492	V	31	Very low	32.1	Very low	140 Å²	140	142.8 Å²	142.8	85%	0.848	81%	0.807	S	S	*	*			trans	-117.1	-179.3	-151.1	-110.9	0	0	0	0	113
493	P	34.3	Very low	32.9	Very low	106 Å²	106	137.3 Å²	137.3	69%	0.688	79%	0.79	S	S	*	*			trans	-99.7	149.4	-140.9	39	-35.9	0	0	0	115.5
494	H	32.3	Very low	34.1	Very low	189 Å²	189	131.4 Å²	131.4	88%	0.875	76%	0.764	S	S	*	*			trans	-110.1	112.6	163.7	-90.1	-72	0	0	0	112.3	M496	H494-M496 PolarHBondContact O-N 3.1Å
495	N	27.6	Very low	35	Very low	146 Å²	146	130.6 Å²	130.6	78%	0.781	77%	0.765	S	S	*	*			trans	-65	125.9	170.1	-73.6	-54.7	0	0	0	111.3
496	M	28.3	Very low	36.5	Very low	188 Å²	188	127.9 Å²	127.9	93%	0.926	75%	0.748	S	S	*	*			trans	-143.9	142.4	153	-80.4	-58.7	153.4	0	0	110.5	H494	H494-M496 PolarHBondContact O-N 3.1Å
497	S	30.1	Very low	38.8	Very low	109 Å²	109	125.5 Å²	125.5	76%	0.762	72%	0.717	S	S	*	*			trans	-156.9	154.3	-177.3	-172.9	0	0	0	0	109.3
498	P	55	Low	41.3	Very low	105 Å²	105	121.6 Å²	121.6	68%	0.682	70%	0.7	S	S	*	*			cis	-127.3	140.2	-46.9	35	-22.7	0	0	0	110.8
499	K	32	Very low	44.3	Very low	204 Å²	204	116 Å²	116	89%	0.887	68%	0.679	S	S	*	*			trans	-167.9	160.1	169.5	-108.6	135	-167.7	172.8	0	114.7
500	S	32.8	Very low	47.1	Very low	122 Å²	122	111.8 Å²	111.8	85%	0.853	64%	0.644	S	S	*	*			trans	73.6	130.9	178.5	-23.9	0	0	0	0	114.4
501	G	37.3	Very low	49.5	Very low	63 Å²	63	107.5 Å²	107.5	65%	0.649	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-75.1	171.6	174.8	0	0	0	0	0	113.3	S503	G501-S503 PolarHBondContact O-N 2.93Å; G501-S503 VanDerWaalsContact O-N 3.17Å
502	P	41.8	Very low	52.5	Low	121 Å²	121	101.8 Å²	101.8	79%	0.786	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-64.6	116	-178.6	27.1	-34.4	0	0	0	111.1	L504	P502-L504 PolarHBondContact O-N 3.14Å
503	S	42.7	Very low	55.5	Low	85 Å²	85	97.8 Å²	97.8	59%	0.594	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-73	120.7	174.8	58	0	0	0	0	110.5	G501 N505	G501-S503 PolarHBondContact O-N 2.93Å; G501-S503 VanDerWaalsContact O-N 3.17Å; S503-N505 PolarHBondContact O-N 2.62Å; S503-N505 PolarHBondContact OG-ND2 2.7Å
504	L	50.4	Low	58.4	Low	42 Å²	42	92.8 Å²	92.8	22%	0.22	53%	0.531	C	S	.	.			trans	-76.8	44.1	178.4	-65.9	169.8	0	0	0	111.9	P502 S506 F510 P560 T670 R677	P502-L504 PolarHBondContact O-N 3.14Å; L504-S506 PolarHBondContact O-N 3.17Å; L504-F510 HydrophobicContact CD1-CD2 3.8Å; L504-F510 HydrophobicContact CD1-CE2 4.19Å; L504-F510 HydrophobicContact CD2-CB 4.49Å; L504-F510 HydrophobicContact CD2-CD2 4.22Å; L504-P560 HydrophobicContact CD1-CB 4.36Å; L504-P560 HydrophobicContact CD2-CB 4.41Å; L504-T670 HydrophobicContact CD1-CG2 4.25Å; L504-R677 PolarHBondContact O-NH2 3.26Å
505	N	53.6	Low	61.3	Low	135 Å²	135	88.9 Å²	88.9	72%	0.722	51%	0.513	S	S	*	.			trans	-66.4	-12.8	-167.6	-77.9	-5.8	0	0	0	114.3	S503	S503-N505 PolarHBondContact O-N 2.62Å; S503-N505 PolarHBondContact OG-ND2 2.7Å
506	S	67.5	Low	64.5	Low	55 Å²	55	86.4 Å²	86.4	39%	0.385	51%	0.507	S	S	.	.			trans	-114.7	119.5	168	179.5	0	0	0	0	111.1	L504 M508 V509 F510	L504-S506 PolarHBondContact O-N 3.17Å; S506-M508 PolarHBondContact O-N 2.88Å; S506-V509 PolarHBondContact O-N 3.27Å; S506-F510 PolarHBondContact O-N 3.28Å
507	Q	73.3	Confident	67.7	Low	27 Å²	27	79.2 Å²	79.2	13%	0.126	47%	0.472	C	S	.	.	H	α-helix	trans	-57.4	-36.9	175.4	-168.2	170.6	21.2	0	0	112	V509 F510 L511 R677 L678	Q507-V509 VanDerWaalsContact C-N 3.34Å; Q507-V509 PolarHBondContact O-N 3.33Å; Q507-F510 PolarHBondContact O-N 2.91Å; Q507-L511 WeakPolarHBondContact O-CG 3.15Å; Q507-L511 PolarHBondContact O-N 3.08Å; Q507-R677 PolarHBondContact NE2-O 3.5Å; Q507-L678 HydrophobicContact CG-CD2 4Å; Q507-L678 VanDerWaalsContact NE2-N 3.2Å
508	M	79.9	Confident	70.9	Confident	120 Å²	120	76.9 Å²	76.9	59%	0.591	45%	0.449	S	S	*	.	H	α-helix	trans	-62.9	-39.2	175.8	-161.7	73.7	-171.1	0	0	111.7	S506 L511 N512	S506-M508 PolarHBondContact O-N 2.88Å; M508-L511 PolarHBondContact O-N 3.28Å; M508-N512 WeakPolarHBondContact O-CB 3.38Å; M508-N512 PolarHBondContact O-N 3.3Å; M508-N512 PolarHBondContact O-ND2 3.43Å; M508-N512 PolarHBondContact O-OD1 2.87Å
509	V	84.4	Confident	72.7	Confident	77 Å²	77	73.8 Å²	73.8	47%	0.467	43%	0.429	S	S	.	.	H	α-helix	trans	-67.7	-41.3	178.1	175.4	0	0	0	0	110.7	S506 Q507 I513	S506-V509 PolarHBondContact O-N 3.27Å; Q507-V509 VanDerWaalsContact C-N 3.34Å; Q507-V509 PolarHBondContact O-N 3.33Å; V509-I513 HydrophobicContact CG1-CD1 4.01Å; V509-I513 WeakPolarHBondContact O-CD1 3.36Å; V509-I513 VanDerWaalsContact O-CG1 3.24Å; V509-I513 WeakPolarHBondContact O-CG1 3.13Å; V509-I513 PolarHBondContact O-N 3.03Å
510	F	88.4	Confident	75.4	Confident	1 Å²	1	70.9 Å²	70.9	0%	0.004	42%	0.419	C	S	.	.	H	α-helix	trans	-61.4	-49.3	174.9	176.4	-106.9	0	0	0	112	L504 S506 Q507 I513 L514 P560 Y671 E674	L504-F510 HydrophobicContact CD1-CD2 3.8Å; L504-F510 HydrophobicContact CD1-CE2 4.19Å; L504-F510 HydrophobicContact CD2-CB 4.49Å; L504-F510 HydrophobicContact CD2-CD2 4.22Å; S506-F510 PolarHBondContact O-N 3.28Å; Q507-F510 PolarHBondContact O-N 2.91Å; F510-I513 PolarHBondContact O-N 3.26Å; F510-L514 HydrophobicContact CD1-CD1 4.29Å; F510-L514 HydrophobicContact CE1-CD1 3.66Å; F510-L514 HydrophobicContact CE1-CG 4.41Å; F510-L514 HydrophobicContact CE2-CD1 4.34Å; F510-L514 HydrophobicContact CE2-CG 4.44Å; F510-L514 HydrophobicContact CZ-CD1 3.71Å; F510-L514 HydrophobicContact CZ-CG 4.29Å; F510-L514 WeakPolarHBondContact O-CG 3.42Å; F510-L514 PolarHBondContact O-N 3.11Å; F510-P560 HydrophobicContact CD2-CG 4.28Å; F510-P560 HydrophobicContact CE2-CG 4.4Å; F510-Y671 HydrophobicContact CE2-CD1 4.14Å; F510-Y671 AromaticContact CE2-CE1 3.64Å; F510-Y671 HydrophobicContact CE2-CE1 3.64Å; F510-Y671 AromaticContact CZ-CD1 3.64Å; F510-Y671 HydrophobicContact CZ-CD1 3.64Å; F510-Y671 AromaticContact CZ-CE1 3.53Å; F510-Y671 HydrophobicContact CZ-CE1 3.53Å; F510-E674 HydrophobicContact CD1-CB 4.12Å; F510-E674 HydrophobicContact CD1-CG 4.03Å; F510-E674 HydrophobicContact CE1-CB 3.57Å; F510-E674 HydrophobicContact CE1-CG 3.79Å; F510-E674 HydrophobicContact CE2-CG 4.33Å; F510-E674 HydrophobicContact CG-CG 4.39Å; F510-E674 HydrophobicContact CZ-CB 3.94Å; F510-E674 HydrophobicContact CZ-CG 3.93Å
511	L	90	Very high	78.1	Confident	26 Å²	26	69.5 Å²	69.5	14%	0.136	41%	0.405	C	S	.	.	H	α-helix	trans	-61.2	-47.4	176.5	-74.5	178.4	0	0	0	112.8	Q507 M508 I513 L514 E515 E639 L678	Q507-L511 WeakPolarHBondContact O-CG 3.15Å; Q507-L511 PolarHBondContact O-N 3.08Å; M508-L511 PolarHBondContact O-N 3.28Å; L511-I513 PolarHBondContact O-N 3.48Å; L511-L514 PolarHBondContact O-N 3Å; L511-L514 VanDerWaalsContact O-N 3.07Å; L511-E515 PolarHBondContact O-N 3.06Å; L511-E639 HydrophobicContact CD1-CB 4.16Å; L511-E639 HydrophobicContact CD1-CG 3.8Å; L511-E639 HydrophobicContact CD2-CB 3.79Å; L511-E639 HydrophobicContact CD2-CG 4.14Å; L511-L678 HydrophobicContact CD1-CD2 3.69Å; L511-L678 HydrophobicContact CD2-CD1 4.15Å; L511-L678 HydrophobicContact CD2-CD2 3.81Å; L511-L678 HydrophobicContact CG-CD2 3.97Å
512	N	90.8	Very high	80.7	Confident	76 Å²	76	67.6 Å²	67.6	41%	0.406	38%	0.381	S	S	.	.	H	α-helix	trans	-58.2	-38.5	178.1	-71.1	-1.1	0	0	0	111.6	M508 S516	M508-N512 WeakPolarHBondContact O-CB 3.38Å; M508-N512 PolarHBondContact O-N 3.3Å; M508-N512 PolarHBondContact O-ND2 3.43Å; M508-N512 PolarHBondContact O-OD1 2.87Å; N512-S516 WeakPolarHBondContact O-CB 3.5Å; N512-S516 PolarHBondContact O-N 3.48Å; N512-S516 PolarHBondContact O-OG 3.05Å
513	I	92.6	Very high	83.1	Confident	57 Å²	57	66.3 Å²	66.3	29%	0.292	37%	0.367	S	S	.	.	H	α-helix	trans	-62.7	-53.3	172.8	-68.8	162.8	0	0	0	109.9	V509 F510 L511 E515 S516 I517 P560	V509-I513 HydrophobicContact CG1-CD1 4.01Å; V509-I513 WeakPolarHBondContact O-CD1 3.36Å; V509-I513 VanDerWaalsContact O-CG1 3.24Å; V509-I513 WeakPolarHBondContact O-CG1 3.13Å; V509-I513 PolarHBondContact O-N 3.03Å; F510-I513 PolarHBondContact O-N 3.26Å; L511-I513 PolarHBondContact O-N 3.48Å; I513-E515 VanDerWaalsContact C-N 3.31Å; I513-E515 PolarHBondContact O-N 2.94Å; I513-S516 PolarHBondContact O-N 3.42Å; I513-S516 VanDerWaalsContact O-N 3.14Å; I513-S516 PolarHBondContact O-OG 2.9Å; I513-I517 WeakPolarHBondContact O-CG1 3.35Å; I513-I517 PolarHBondContact O-N 3.34Å; I513-I517 VanDerWaalsContact O-N 3.16Å; I513-P560 HydrophobicContact CD1-CG 4.45Å; I513-P560 HydrophobicContact CG2-CG 3.88Å
514	L	94.9	Very high	85.4	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-58.8	-38.6	-178.4	-65.2	-170.4	0	0	0	113.3	F510 L511 I517 L559 L642 Y671	F510-L514 HydrophobicContact CD1-CD1 4.29Å; F510-L514 HydrophobicContact CE1-CD1 3.66Å; F510-L514 HydrophobicContact CE1-CG 4.41Å; F510-L514 HydrophobicContact CE2-CD1 4.34Å; F510-L514 HydrophobicContact CE2-CG 4.44Å; F510-L514 HydrophobicContact CZ-CD1 3.71Å; F510-L514 HydrophobicContact CZ-CG 4.29Å; F510-L514 WeakPolarHBondContact O-CG 3.42Å; F510-L514 PolarHBondContact O-N 3.11Å; L511-L514 PolarHBondContact O-N 3Å; L511-L514 VanDerWaalsContact O-N 3.07Å; L514-I517 HydrophobicContact CD2-CD1 4.26Å; L514-I517 VanDerWaalsContact O-CG1 3.3Å; L514-I517 WeakPolarHBondContact O-CG1 3.34Å; L514-L559 HydrophobicContact CD2-CD2 3.49Å; L514-L559 VanDerWaalsContact CD2-CD2 3.49Å; L514-L642 HydrophobicContact CB-CB 4.06Å; L514-L642 HydrophobicContact CB-CD1 4.25Å; L514-L642 HydrophobicContact CB-CD2 4.45Å; L514-L642 HydrophobicContact CB-CG 4.49Å; L514-L642 HydrophobicContact CD1-CB 4.07Å; L514-Y671 HydrophobicContact CD2-CE1 4.39Å
515	E	94.5	Very high	87.1	Confident	106 Å²	106	63.1 Å²	63.1	50%	0.495	36%	0.358	S	S	.	.	H	α-helix	trans	-68.6	-45.2	174.6	-174.8	173.1	-144.7	0	0	111.3	L511 I513 I517 E518 Q638 L642	L511-E515 PolarHBondContact O-N 3.06Å; I513-E515 VanDerWaalsContact C-N 3.31Å; I513-E515 PolarHBondContact O-N 2.94Å; E515-I517 PolarHBondContact O-N 3.14Å; E515-E518 WeakPolarHBondContact O-CB 3.46Å; E515-E518 PolarHBondContact O-N 3.29Å; E515-E518 VanDerWaalsContact O-N 3.1Å; E515-Q638 PolarHBondContact OE1-NE2 3.03Å; E515-L642 HydrophobicContact CB-CD1 4.05Å
516	S	94.8	Very high	88.7	Confident	94 Å²	94	57.9 Å²	57.9	66%	0.657	33%	0.329	S	S	*	.	H	α-helix	trans	-63.4	-22.9	-177.9	74.8	0	0	0	0	114.8	N512 I513	N512-S516 WeakPolarHBondContact O-CB 3.5Å; N512-S516 PolarHBondContact O-N 3.48Å; N512-S516 PolarHBondContact O-OG 3.05Å; I513-S516 PolarHBondContact O-N 3.42Å; I513-S516 VanDerWaalsContact O-N 3.14Å; I513-S516 PolarHBondContact O-OG 2.9Å
517	I	95.7	Very high	89.4	Confident	37 Å²	37	59.6 Å²	59.6	19%	0.19	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-4.6	178.4	65.7	174.4	0	0	0	113.3	I513 L514 E515 L559	I513-I517 WeakPolarHBondContact O-CG1 3.35Å; I513-I517 PolarHBondContact O-N 3.34Å; I513-I517 VanDerWaalsContact O-N 3.16Å; L514-I517 HydrophobicContact CD2-CD1 4.26Å; L514-I517 VanDerWaalsContact O-CG1 3.3Å; L514-I517 WeakPolarHBondContact O-CG1 3.34Å; E515-I517 PolarHBondContact O-N 3.14Å; I517-L559 HydrophobicContact CD1-CD2 3.81Å; I517-L559 HydrophobicContact CD1-CG 4.13Å
518	E	95.9	Very high	89.5	Confident	61 Å²	61	62.6 Å²	62.6	29%	0.285	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-64.6	129.6	-173.3	-172.8	57.8	-157	0	0	111.2	E515 E520 L642 K645	E515-E518 WeakPolarHBondContact O-CB 3.46Å; E515-E518 PolarHBondContact O-N 3.29Å; E515-E518 VanDerWaalsContact O-N 3.1Å; E518-E520 PolarHBondContact O-N 3.41Å; E518-L642 HydrophobicContact CB-CD2 4.38Å; E518-L642 HydrophobicContact CG-CD2 4.34Å; E518-K645 IonicContact OE1-NZ 2.77Å; E518-K645 PolarHBondContact OE1-NZ 2.92Å; E518-K645 IonicContact OE2-NZ 3.66Å; E518-K645 PolarHBondContact OE2-NZ 2.97Å
519	P	92.7	Very high	89.3	Confident	40 Å²	40	59.4 Å²	59.4	26%	0.26	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-54.6	127.7	-179.4	-34.7	40.4	0	0	0	115.2	K551 W555	P519-K551 HydrophobicContact CB-CB 3.94Å; P519-K551 HydrophobicContact CG-CB 4.17Å; P519-W555 HydrophobicContact CG-CB 3.93Å; P519-W555 HydrophobicContact CG-CG 4.31Å
520	E	89.2	Confident	89	Confident	143 Å²	143	61.9 Å²	61.9	67%	0.668	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-50.2	141.2	162	-60.1	170.8	129.7	0	0	111	E518 V522 K551	E518-E520 PolarHBondContact O-N 3.41Å; E520-V522 PolarHBondContact O-N 3.49Å; E520-K551 IonicContact OE2-NZ 3.8Å; E520-K551 PolarHBondContact OE2-NZ 3.46Å
521	V	89	Confident	88.8	Confident	93 Å²	93	67.1 Å²	67.1	56%	0.564	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-63.1	124.3	178.8	-177.9	0	0	0	0	110.7	P603	V521-P603 HydrophobicContact CG1-CG 3.58Å
522	V	92.5	Very high	88.9	Confident	23 Å²	23	68.1 Å²	68.1	14%	0.139	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-96.8	136.1	178.9	178.6	0	0	0	0	110	E520 L544 R547 Q548 K551 A602	E520-V522 PolarHBondContact O-N 3.49Å; V522-L544 HydrophobicContact CB-CD1 4.24Å; V522-L544 HydrophobicContact CG1-CD1 3.9Å; V522-R547 HydrophobicContact CG1-CB 3.63Å; V522-Q548 HydrophobicContact CB-CG 4.17Å; V522-Q548 HydrophobicContact CG2-CG 4.42Å; V522-K551 HydrophobicContact CG2-CG 3.92Å; V522-A602 WeakPolarHBondContact O-CB 3.32Å
523	N	92.3	Very high	89	Confident	93 Å²	93	67.4 Å²	67.4	50%	0.497	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-85.5	148.3	172.9	-64.8	-24.6	0	0	0	111.4	G525 P603 D604	N523-G525 VanDerWaalsContact C-N 3.34Å; N523-P603 WeakPolarHBondContact OD1-CD 3.35Å; N523-D604 WeakPolarHBondContact CA-OD1 3.4Å
524	A	89.9	Confident	89	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.008	40%	0.401	C	S	.	.			trans	-74.5	-21.1	177.2	0	0	0	0	0	113.7	H526 L544 R547 A602 D604 L605	A524-H526 HydrophobicContact CB-CB 4.02Å; A524-L544 HydrophobicContact CB-CB 4.19Å; A524-L544 HydrophobicContact CB-CD1 4.39Å; A524-L544 HydrophobicContact CB-CD2 4.28Å; A524-R547 PolarHBondContact O-NH1 3.16Å; A524-A602 HydrophobicContact CB-CB 4.22Å; A524-D604 VanDerWaalsContact N-CG 3.32Å; A524-D604 PolarHBondContact N-OD1 3.34Å; A524-D604 PolarHBondContact N-OD2 3.46Å; A524-L605 HydrophobicContact CB-CB 3.66Å; A524-L605 HydrophobicContact CB-CD2 3.73Å; A524-L605 HydrophobicContact CB-CG 4.28Å
525	G	86.4	Confident	88.9	Confident	60 Å²	60	67.6 Å²	67.6	62%	0.619	41%	0.412	S	S	*	.			trans	73.8	18	-170.3	0	0	0	0	0	112.7	N523 D527 D604	N523-G525 VanDerWaalsContact C-N 3.34Å; G525-D527 PolarHBondContact O-N 3.16Å; G525-D604 PolarHBondContact N-OD2 2.61Å
526	H	87.6	Confident	88.8	Confident	25 Å²	25	63.9 Å²	63.9	12%	0.116	40%	0.403	C	S	.	.			trans	-77.4	121.6	-169.1	171	80.8	0	0	0	111.7	A524 C528 D532 S540 D604 L605 R611	A524-H526 HydrophobicContact CB-CB 4.02Å; H526-C528 PolarHBondContact O-N 2.9Å; H526-C528 VanDerWaalsContact O-N 3.1Å; H526-D532 IonicContact CE1-OD1 3.93Å; H526-D532 PolarHBondContact CE1-OD1 3.38Å; H526-D532 IonicContact NE2-OD1 3.13Å; H526-S540 PolarHBondContact ND1-OG 2.96Å; H526-S540 VanDerWaalsContact ND1-OG 3.07Å; H526-D604 PolarHBondContact N-OD2 3.3Å; H526-L605 HydrophobicContact CB-CD1 4.1Å; H526-R611 PolarHBondContact NE2-NH2 3.14Å
527	D	82	Confident	88.8	Confident	91 Å²	91	59.4 Å²	59.4	49%	0.487	37%	0.371	S	S	.	.			trans	-79.8	92.7	-179.3	-175.2	18.1	0	0	0	112.4	G525 G529 Q530	G525-D527 PolarHBondContact O-N 3.16Å; D527-G529 PolarHBondContact O-N 3.23Å; D527-G529 WeakPolarHBondContact OD1-CA 3.47Å; D527-G529 PolarHBondContact OD1-N 3.18Å; D527-Q530 PolarHBondContact O-N 3.35Å
528	C	76.8	Confident	88.8	Confident	89 Å²	89	58 Å²	58	60%	0.601	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	2	169.4	-59.9	0	0	0	0	114.7	H526	H526-C528 PolarHBondContact O-N 2.9Å; H526-C528 VanDerWaalsContact O-N 3.1Å
529	G	74.4	Confident	88.7	Confident	54 Å²	54	56 Å²	56	56%	0.557	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-18.8	167.9	0	0	0	0	0	114.5	D527	D527-G529 PolarHBondContact O-N 3.23Å; D527-G529 WeakPolarHBondContact OD1-CA 3.47Å; D527-G529 PolarHBondContact OD1-N 3.18Å
530	Q	78.1	Confident	88.8	Confident	129 Å²	129	54.9 Å²	54.9	60%	0.603	35%	0.349	S	S	*	.	S	Bend	trans	-97	155.4	177.2	-61.2	-53.1	-40.2	0	0	112.1	D527	D527-Q530 PolarHBondContact O-N 3.35Å
531	P	85.1	Confident	89.1	Confident	110 Å²	110	49 Å²	49	71%	0.714	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-67	134.7	171.2	28	-34.2	0	0	0	111.4	S533	P531-S533 PolarHBondContact O-N 2.92Å
532	D	91.3	Very high	89.4	Confident	47 Å²	47	45.3 Å²	45.3	25%	0.251	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-59.1	128.7	175	-75.3	-40.2	0	0	0	111	H526 L537 R611 I614	H526-D532 IonicContact CE1-OD1 3.93Å; H526-D532 PolarHBondContact CE1-OD1 3.38Å; H526-D532 IonicContact NE2-OD1 3.13Å; D532-L537 HydrophobicContact CB-CD1 4.36Å; D532-L537 HydrophobicContact CB-CG 4.49Å; D532-R611 VanDerWaalsContact CG-NH2 3.31Å; D532-R611 IonicContact OD1-CZ 2.75Å; D532-R611 IonicContact OD1-NE 2.68Å; D532-R611 IonicContact OD1-NH2 3.21Å; D532-R611 PolarHBondContact OD1-NH2 3.42Å; D532-R611 IonicContact OD2-CZ 2.69Å; D532-R611 IonicContact OD2-NE 3.78Å; D532-R611 PolarHBondContact OD2-NE 3.49Å; D532-R611 IonicContact OD2-NH2 2.93Å; D532-R611 PolarHBondContact OD2-NH2 2.93Å; D532-I614 HydrophobicContact CB-CD1 3.96Å; D532-I614 HydrophobicContact CB-CG2 4.41Å
533	S	92.9	Very high	89.6	Confident	61 Å²	61	47.3 Å²	47.3	43%	0.427	31%	0.307	S	S	.	.			trans	-133	153.1	173.7	64.2	0	0	0	0	110.2	P531 A535 G536 L537	P531-S533 PolarHBondContact O-N 2.92Å; S533-A535 VanDerWaalsContact C-N 3.33Å; S533-A535 PolarHBondContact O-N 3.32Å; S533-G536 PolarHBondContact O-N 2.98Å; S533-G536 PolarHBondContact OG-N 3.45Å; S533-L537 WeakPolarHBondContact O-CB 3.33Å; S533-L537 WeakPolarHBondContact O-CG 3.49Å; S533-L537 PolarHBondContact O-N 2.63Å
534	A	92.8	Very high	89.8	Confident	34 Å²	34	43 Å²	43	28%	0.281	28%	0.284	S	S	.	.	H	α-helix	trans	-50.9	-52.6	-179.6	0	0	0	0	0	111.8	G536 L537 L538 I614 T616	A534-G536 PolarHBondContact O-N 3.23Å; A534-L537 PolarHBondContact O-N 3.1Å; A534-L538 WeakPolarHBondContact O-CB 3.41Å; A534-L538 VanDerWaalsContact O-CG 3.24Å; A534-L538 WeakPolarHBondContact O-CG 3.32Å; A534-L538 PolarHBondContact O-N 3.45Å; A534-I614 VanDerWaalsContact CA-O 3.3Å; A534-I614 WeakPolarHBondContact CA-O 3.44Å; A534-I614 WeakPolarHBondContact CB-O 3.44Å; A534-T616 HydrophobicContact CB-CG2 4.09Å
535	A	92.1	Very high	90.1	Very high	28 Å²	28	43.3 Å²	43.3	23%	0.231	29%	0.287	C	S	.	.	H	α-helix	trans	-67.4	-36.1	-178.4	0	0	0	0	0	113.6	S533 T539 K725 V726	S533-A535 VanDerWaalsContact C-N 3.33Å; S533-A535 PolarHBondContact O-N 3.32Å; A535-T539 VanDerWaalsContact O-CB 3.27Å; A535-T539 WeakPolarHBondContact O-CB 3.39Å; A535-T539 PolarHBondContact O-N 3.27Å; A535-T539 PolarHBondContact O-OG1 3.1Å; A535-K725 HydrophobicContact CB-CB 4.23Å; A535-V726 HydrophobicContact CB-CG2 3.89Å
536	G	93.2	Very high	90.5	Very high	29 Å²	29	42.8 Å²	42.8	30%	0.299	27%	0.268	S	S	.	.	H	α-helix	trans	-68.9	-40.6	175.9	0	0	0	0	0	112.9	S533 A534 S540	S533-G536 PolarHBondContact O-N 2.98Å; S533-G536 PolarHBondContact OG-N 3.45Å; A534-G536 PolarHBondContact O-N 3.23Å; G536-S540 WeakPolarHBondContact O-CB 3.06Å; G536-S540 PolarHBondContact O-N 3.46Å; G536-S540 PolarHBondContact O-OG 2.99Å
537	L	94.8	Very high	91	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.9	-45.4	174.6	-72.6	179.4	0	0	0	111.6	D532 S533 A534 S540 L541 L605 F607 R611 I614	D532-L537 HydrophobicContact CB-CD1 4.36Å; D532-L537 HydrophobicContact CB-CG 4.49Å; S533-L537 WeakPolarHBondContact O-CB 3.33Å; S533-L537 WeakPolarHBondContact O-CG 3.49Å; S533-L537 PolarHBondContact O-N 2.63Å; A534-L537 PolarHBondContact O-N 3.1Å; L537-S540 WeakPolarHBondContact O-CB 3.28Å; L537-S540 PolarHBondContact O-N 2.89Å; L537-L541 VanDerWaalsContact O-CG 3.3Å; L537-L541 WeakPolarHBondContact O-CG 3.44Å; L537-L541 PolarHBondContact O-N 2.82Å; L537-L605 HydrophobicContact CD2-CD1 4.15Å; L537-F607 HydrophobicContact CB-CZ 4.15Å; L537-F607 HydrophobicContact CD1-CZ 4.27Å; L537-F607 HydrophobicContact CD2-CE1 3.99Å; L537-F607 HydrophobicContact CD2-CZ 4.24Å; L537-F607 HydrophobicContact CG-CZ 4.47Å; L537-R611 HydrophobicContact CD1-CB 4.42Å; L537-I614 HydrophobicContact CD1-CB 4.05Å; L537-I614 HydrophobicContact CD1-CG2 3.79Å
538	L	94.7	Very high	91.7	Very high	6 Å²	6	43 Å²	43	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-42	177.2	-70.5	168.6	0	0	0	112	A534 L541 N542 M617 F711 L715 V726	A534-L538 WeakPolarHBondContact O-CB 3.41Å; A534-L538 VanDerWaalsContact O-CG 3.24Å; A534-L538 WeakPolarHBondContact O-CG 3.32Å; A534-L538 PolarHBondContact O-N 3.45Å; L538-L541 WeakPolarHBondContact O-CB 3.39Å; L538-L541 PolarHBondContact O-N 3.13Å; L538-N542 PolarHBondContact O-N 2.9Å; L538-M617 HydrophobicContact CD2-CE 4.46Å; L538-M617 HydrophobicContact CD2-CG 3.8Å; L538-M617 HydrophobicContact CD2-SD 3.86Å; L538-F711 HydrophobicContact CD2-CE1 4.19Å; L538-F711 HydrophobicContact CD2-CZ 4.17Å; L538-L715 HydrophobicContact CB-CD2 4.36Å; L538-L715 HydrophobicContact CD1-CD1 4.03Å; L538-L715 HydrophobicContact CD1-CD2 3.94Å; L538-L715 HydrophobicContact CD2-CD2 3.85Å; L538-L715 HydrophobicContact CG-CD2 4.27Å; L538-V726 HydrophobicContact CB-CG1 4.02Å; L538-V726 HydrophobicContact CB-CG2 4.12Å; L538-V726 HydrophobicContact CD1-CG2 4.23Å
539	T	94.1	Very high	92.6	Very high	21 Å²	21	38.8 Å²	38.8	13%	0.129	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-47.9	172.2	-63.3	0	0	0	0	111.7	A535 L541 N542 E543 K725 V726 S727	A535-T539 VanDerWaalsContact O-CB 3.27Å; A535-T539 WeakPolarHBondContact O-CB 3.39Å; A535-T539 PolarHBondContact O-N 3.27Å; A535-T539 PolarHBondContact O-OG1 3.1Å; T539-L541 PolarHBondContact O-N 3.16Å; T539-N542 PolarHBondContact O-N 2.77Å; T539-N542 VanDerWaalsContact O-N 3.15Å; T539-E543 PolarHBondContact O-N 2.85Å; T539-K725 PolarHBondContact OG1-O 2.92Å; T539-V726 WeakPolarHBondContact OG1-CA 3.31Å; T539-S727 PolarHBondContact OG1-N 3.4Å
540	S	95.3	Very high	93.6	Very high	15 Å²	15	39.9 Å²	39.9	11%	0.105	23%	0.23	C	C	.	.	H	α-helix	trans	-58	-33.9	176.9	-55.3	0	0	0	0	112.3	H526 G536 L537 L544	H526-S540 PolarHBondContact ND1-OG 2.96Å; H526-S540 VanDerWaalsContact ND1-OG 3.07Å; G536-S540 WeakPolarHBondContact O-CB 3.06Å; G536-S540 PolarHBondContact O-N 3.46Å; G536-S540 PolarHBondContact O-OG 2.99Å; L537-S540 WeakPolarHBondContact O-CB 3.28Å; L537-S540 PolarHBondContact O-N 2.89Å; S540-L544 VanDerWaalsContact O-CB 3.25Å; S540-L544 WeakPolarHBondContact O-CB 3.22Å; S540-L544 PolarHBondContact O-N 3.45Å; S540-L544 VanDerWaalsContact O-N 3.11Å
541	L	96.1	Very high	94.5	Very high	21 Å²	21	36.9 Å²	36.9	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-76.6	-38.6	177	-73.8	169.1	0	0	0	113.1	L537 L538 T539 L544 G545 F601 L605 F607 M617	L537-L541 VanDerWaalsContact O-CG 3.3Å; L537-L541 WeakPolarHBondContact O-CG 3.44Å; L537-L541 PolarHBondContact O-N 2.82Å; L538-L541 WeakPolarHBondContact O-CB 3.39Å; L538-L541 PolarHBondContact O-N 3.13Å; T539-L541 PolarHBondContact O-N 3.16Å; L541-L544 PolarHBondContact O-N 3.48Å; L541-G545 WeakPolarHBondContact O-CA 3.47Å; L541-G545 PolarHBondContact O-N 3.39Å; L541-F601 HydrophobicContact CD2-CB 4.08Å; L541-F601 HydrophobicContact CD2-CD1 3.38Å; L541-F601 HydrophobicContact CD2-CD2 4.05Å; L541-F601 HydrophobicContact CD2-CE1 3.66Å; L541-F601 HydrophobicContact CD2-CE2 4.29Å; L541-F601 HydrophobicContact CD2-CG 3.58Å; L541-F601 HydrophobicContact CD2-CZ 4.11Å; L541-L605 HydrophobicContact CD2-CD2 3.66Å; L541-L605 HydrophobicContact CG-CD2 3.99Å; L541-F607 HydrophobicContact CD1-CE1 4.37Å; L541-F607 HydrophobicContact CD1-CE2 4.11Å; L541-F607 HydrophobicContact CD1-CZ 3.59Å; L541-F607 HydrophobicContact CD2-CZ 4.47Å; L541-F607 HydrophobicContact CG-CZ 4.21Å; L541-M617 HydrophobicContact CD1-CE 3.34Å
542	N	95.6	Very high	95	Very high	15 Å²	15	32 Å²	32	8%	0.08	18%	0.183	C	C	.	.	H	α-helix	trans	-66.3	-43.4	175.8	-73.2	-14.4	0	0	0	111.3	L538 T539 G545 E546 S727 F728	L538-N542 PolarHBondContact O-N 2.9Å; T539-N542 PolarHBondContact O-N 2.77Å; T539-N542 VanDerWaalsContact O-N 3.15Å; N542-G545 WeakPolarHBondContact O-CA 3.4Å; N542-G545 PolarHBondContact O-N 3.26Å; N542-G545 VanDerWaalsContact O-N 3.13Å; N542-E546 PolarHBondContact O-N 3.26Å; N542-S727 WeakPolarHBondContact CB-O 3.22Å; N542-S727 PolarHBondContact ND2-O 2.94Å; N542-F728 VanDerWaalsContact ND2-CD1 3.32Å; N542-F728 WeakPolarHBondContact ND2-CD1 3.3Å; N542-F728 WeakPolarHBondContact ND2-CE1 3.42Å; N542-F728 WeakPolarHBondContact ND2-CZ 3.42Å
543	E	95.6	Very high	95.2	Very high	64 Å²	64	31.7 Å²	31.7	30%	0.299	18%	0.182	S	C	.	.	H	α-helix	trans	-61	-45.9	172.7	-77.4	-174.7	-145.1	0	0	112.8	T539 G545 R547 P729	T539-E543 PolarHBondContact O-N 2.85Å; E543-G545 PolarHBondContact O-N 3.3Å; E543-R547 VanDerWaalsContact O-CG 3.3Å; E543-R547 WeakPolarHBondContact O-CG 3.42Å; E543-R547 PolarHBondContact O-N 3.06Å; E543-R547 IonicContact OE2-CZ 2.62Å; E543-R547 IonicContact OE2-NH1 3.62Å; E543-R547 IonicContact OE2-NH2 2.7Å; E543-R547 PolarHBondContact OE2-NH2 3.28Å; E543-P729 HydrophobicContact CG-CG 4.27Å
544	L	96.7	Very high	95.4	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-37.3	172.4	-179.5	62.8	0	0	0	111.3	V522 A524 S540 L541 R547 Q548 F601 A602 L605	V522-L544 HydrophobicContact CB-CD1 4.24Å; V522-L544 HydrophobicContact CG1-CD1 3.9Å; A524-L544 HydrophobicContact CB-CB 4.19Å; A524-L544 HydrophobicContact CB-CD1 4.39Å; A524-L544 HydrophobicContact CB-CD2 4.28Å; S540-L544 VanDerWaalsContact O-CB 3.25Å; S540-L544 WeakPolarHBondContact O-CB 3.22Å; S540-L544 PolarHBondContact O-N 3.45Å; S540-L544 VanDerWaalsContact O-N 3.11Å; L541-L544 PolarHBondContact O-N 3.48Å; L544-R547 PolarHBondContact O-N 3.19Å; L544-Q548 HydrophobicContact CD1-CG 4.15Å; L544-Q548 VanDerWaalsContact CD1-NE2 3.29Å; L544-Q548 HydrophobicContact CG-CG 4.36Å; L544-Q548 WeakPolarHBondContact O-CB 3.16Å; L544-Q548 WeakPolarHBondContact O-CG 3.4Å; L544-Q548 PolarHBondContact O-N 2.9Å; L544-F601 HydrophobicContact CD2-CB 3.78Å; L544-A602 HydrophobicContact CD1-CB 4Å; L544-A602 HydrophobicContact CD2-CB 3.82Å; L544-L605 HydrophobicContact CD2-CD2 4.34Å
545	G	96.6	Very high	95.6	Very high	6 Å²	6	35.3 Å²	35.3	6%	0.062	18%	0.184	C	C	.	.	H	α-helix	trans	-60	-52.9	-179.3	0	0	0	0	0	112.4	L541 N542 E543 Q548 L549 M582	L541-G545 WeakPolarHBondContact O-CA 3.47Å; L541-G545 PolarHBondContact O-N 3.39Å; N542-G545 WeakPolarHBondContact O-CA 3.4Å; N542-G545 PolarHBondContact O-N 3.26Å; N542-G545 VanDerWaalsContact O-N 3.13Å; E543-G545 PolarHBondContact O-N 3.3Å; G545-Q548 PolarHBondContact O-N 3.36Å; G545-L549 WeakPolarHBondContact O-CB 3.3Å; G545-L549 PolarHBondContact O-N 3.46Å; G545-M582 WeakPolarHBondContact O-CE 3.39Å
546	E	95.7	Very high	95.8	Very high	49 Å²	49	34 Å²	34	23%	0.229	17%	0.173	C	C	.	.	H	α-helix	trans	-60.7	-46.8	175.9	-179.1	174.5	86.1	0	0	112	N542 Q548 L549 V550 P729 E730 M731 I732	N542-E546 PolarHBondContact O-N 3.26Å; E546-Q548 VanDerWaalsContact C-N 3.25Å; E546-Q548 PolarHBondContact O-N 3.03Å; E546-L549 WeakPolarHBondContact O-CB 3.15Å; E546-L549 PolarHBondContact O-N 3.31Å; E546-L549 VanDerWaalsContact O-N 3.08Å; E546-V550 WeakPolarHBondContact O-CG2 3.32Å; E546-V550 PolarHBondContact O-N 2.86Å; E546-P729 HydrophobicContact CB-CB 3.99Å; E546-P729 HydrophobicContact CB-CG 4.34Å; E546-P729 HydrophobicContact CG-CB 4.29Å; E546-P729 WeakPolarHBondContact OE1-CB 3.16Å; E546-P729 WeakPolarHBondContact OE2-CB 3.19Å; E546-E730 PolarHBondContact OE2-N 3.28Å; E546-M731 HydrophobicContact CG-CB 4.14Å; E546-M731 VanDerWaalsContact OE2-CB 3.3Å; E546-M731 WeakPolarHBondContact OE2-CB 3.37Å; E546-M731 PolarHBondContact OE2-N 3.36Å; E546-I732 HydrophobicContact CB-CB 4.44Å; E546-I732 HydrophobicContact CB-CG2 4.36Å
547	R	96.3	Very high	95.9	Very high	96 Å²	96	37.3 Å²	37.3	36%	0.362	18%	0.179	S	C	.	.	H	α-helix	trans	-62.9	-32.4	179.3	-63.2	172.1	-165.2	140	11.7	112.4	V522 A524 E543 L544 K551	V522-R547 HydrophobicContact CG1-CB 3.63Å; A524-R547 PolarHBondContact O-NH1 3.16Å; E543-R547 VanDerWaalsContact O-CG 3.3Å; E543-R547 WeakPolarHBondContact O-CG 3.42Å; E543-R547 PolarHBondContact O-N 3.06Å; E543-R547 IonicContact OE2-CZ 2.62Å; E543-R547 IonicContact OE2-NH1 3.62Å; E543-R547 IonicContact OE2-NH2 2.7Å; E543-R547 PolarHBondContact OE2-NH2 3.28Å; L544-R547 PolarHBondContact O-N 3.19Å; R547-K551 WeakPolarHBondContact O-CG 3.47Å
548	Q	96.7	Very high	95.9	Very high	24 Å²	24	38.7 Å²	38.7	11%	0.112	19%	0.194	C	C	.	.	H	α-helix	trans	-74.2	-39.8	172.1	-74.5	-175.3	17.1	0	0	111.8	V522 L544 G545 E546 V550 K551 V552 M582 F601	V522-Q548 HydrophobicContact CB-CG 4.17Å; V522-Q548 HydrophobicContact CG2-CG 4.42Å; L544-Q548 HydrophobicContact CD1-CG 4.15Å; L544-Q548 VanDerWaalsContact CD1-NE2 3.29Å; L544-Q548 HydrophobicContact CG-CG 4.36Å; L544-Q548 WeakPolarHBondContact O-CB 3.16Å; L544-Q548 WeakPolarHBondContact O-CG 3.4Å; L544-Q548 PolarHBondContact O-N 2.9Å; G545-Q548 PolarHBondContact O-N 3.36Å; E546-Q548 VanDerWaalsContact C-N 3.25Å; E546-Q548 PolarHBondContact O-N 3.03Å; Q548-V550 PolarHBondContact O-N 2.82Å; Q548-K551 CarbonylContact O-C 3.6Å; Q548-K551 WeakPolarHBondContact O-CA 3.37Å; Q548-K551 WeakPolarHBondContact O-CB 3.36Å; Q548-K551 PolarHBondContact O-N 3.27Å; Q548-V552 WeakPolarHBondContact O-CG2 3.04Å; Q548-V552 PolarHBondContact O-N 2.83Å; Q548-M582 HydrophobicContact CB-CE 3.96Å; Q548-M582 HydrophobicContact CB-SD 4.36Å; Q548-F601 PolarHBondContact NE2-O 3.42Å
549	L	96.2	Very high	96	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-58.4	-43.9	176.7	178.1	66.4	0	0	0	112.1	G545 E546 K551 V552 V553 W578 M582 M731 I735	G545-L549 WeakPolarHBondContact O-CB 3.3Å; G545-L549 PolarHBondContact O-N 3.46Å; E546-L549 WeakPolarHBondContact O-CB 3.15Å; E546-L549 PolarHBondContact O-N 3.31Å; E546-L549 VanDerWaalsContact O-N 3.08Å; L549-K551 VanDerWaalsContact C-N 3.26Å; L549-K551 PolarHBondContact O-N 3.02Å; L549-V552 WeakPolarHBondContact O-CA 3.45Å; L549-V552 WeakPolarHBondContact O-CB 3.49Å; L549-V552 PolarHBondContact O-N 2.92Å; L549-V553 WeakPolarHBondContact O-CG2 3.34Å; L549-V553 PolarHBondContact O-N 3.02Å; L549-W578 HydrophobicContact CD1-CB 3.75Å; L549-W578 HydrophobicContact CD1-CG 4.29Å; L549-M582 HydrophobicContact CB-SD 4.4Å; L549-M731 HydrophobicContact CD2-CG 3.85Å; L549-M731 HydrophobicContact CD2-SD 3.74Å; L549-M731 HydrophobicContact CG-SD 4.12Å; L549-I735 HydrophobicContact CD1-CD1 4.39Å; L549-I735 HydrophobicContact CD2-CD1 3.71Å
550	V	95.9	Very high	96	Very high	78 Å²	78	38.9 Å²	38.9	47%	0.473	20%	0.195	S	C	.	.	H	α-helix	trans	-57.9	-39	174.1	176.3	0	0	0	0	111.5	E546 Q548 K554 M731	E546-V550 WeakPolarHBondContact O-CG2 3.32Å; E546-V550 PolarHBondContact O-N 2.86Å; Q548-V550 PolarHBondContact O-N 2.82Å; V550-K554 PolarHBondContact O-N 3.16Å; V550-M731 HydrophobicContact CG2-CE 3.86Å; V550-M731 HydrophobicContact CG2-SD 4.05Å
551	K	95.9	Very high	95.8	Very high	65 Å²	65	39.2 Å²	39.2	28%	0.283	20%	0.201	S	C	.	.	H	α-helix	trans	-71.3	-35.4	174.7	-59.6	-80.4	-169.6	171.3	0	111.9	P519 E520 V522 R547 Q548 L549 K554 W555	P519-K551 HydrophobicContact CB-CB 3.94Å; P519-K551 HydrophobicContact CG-CB 4.17Å; E520-K551 IonicContact OE2-NZ 3.8Å; E520-K551 PolarHBondContact OE2-NZ 3.46Å; V522-K551 HydrophobicContact CG2-CG 3.92Å; R547-K551 WeakPolarHBondContact O-CG 3.47Å; Q548-K551 CarbonylContact O-C 3.6Å; Q548-K551 WeakPolarHBondContact O-CA 3.37Å; Q548-K551 WeakPolarHBondContact O-CB 3.36Å; Q548-K551 PolarHBondContact O-N 3.27Å; L549-K551 VanDerWaalsContact C-N 3.26Å; L549-K551 PolarHBondContact O-N 3.02Å; K551-K554 PolarHBondContact O-N 3.37Å; K551-W555 WeakPolarHBondContact O-CB 3.45Å; K551-W555 PolarHBondContact O-N 3.26Å
552	V	96.8	Very high	95.8	Very high	8 Å²	8	38.2 Å²	38.2	5%	0.048	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-41.3	173.8	171.3	0	0	0	0	111.3	Q548 L549 K554 W555 A556 V581 M582	Q548-V552 WeakPolarHBondContact O-CG2 3.04Å; Q548-V552 PolarHBondContact O-N 2.83Å; L549-V552 WeakPolarHBondContact O-CA 3.45Å; L549-V552 WeakPolarHBondContact O-CB 3.49Å; L549-V552 PolarHBondContact O-N 2.92Å; V552-K554 VanDerWaalsContact C-N 3.34Å; V552-K554 PolarHBondContact O-N 2.67Å; V552-W555 HydrophobicContact CG1-CE3 4.28Å; V552-W555 PolarHBondContact O-N 3.42Å; V552-A556 WeakPolarHBondContact O-CB 3.47Å; V552-A556 PolarHBondContact O-N 2.79Å; V552-V581 HydrophobicContact CG1-CG1 4.23Å; V552-V581 HydrophobicContact CG2-CG1 4.26Å; V552-M582 HydrophobicContact CG2-CG 4.01Å; V552-M582 HydrophobicContact CG2-SD 4.49Å
553	V	96	Very high	95.8	Very high	40 Å²	40	45.8 Å²	45.8	24%	0.242	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-42.7	173.9	174.4	0	0	0	0	111.2	L549 K557 I574	L549-V553 WeakPolarHBondContact O-CG2 3.34Å; L549-V553 PolarHBondContact O-N 3.02Å; V553-K557 HydrophobicContact CG1-CD 4.33Å; V553-K557 WeakPolarHBondContact O-CB 3.15Å; V553-K557 WeakPolarHBondContact O-CG 3.36Å; V553-K557 PolarHBondContact O-N 2.93Å; V553-K557 VanDerWaalsContact O-N 3.16Å; V553-I574 HydrophobicContact CG2-CG2 4.14Å
554	K	95.4	Very high	95.6	Very high	166 Å²	166	47.8 Å²	47.8	72%	0.722	24%	0.236	S	C	*	.	H	α-helix	trans	-65.5	-43.8	175.9	-172.5	-176.6	176.3	-172.5	0	112	V550 K551 V552 K557 G558	V550-K554 PolarHBondContact O-N 3.16Å; K551-K554 PolarHBondContact O-N 3.37Å; V552-K554 VanDerWaalsContact C-N 3.34Å; V552-K554 PolarHBondContact O-N 2.67Å; K554-K557 PolarHBondContact O-N 3.45Å; K554-G558 PolarHBondContact O-N 2.89Å
555	W	97.9	Very high	95.5	Very high	5 Å²	5	47.9 Å²	47.9	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-47.7	178.1	166.8	82.6	0	0	0	111.9	P519 K551 V552 K557 G558 L559 V581 K645 A646 L649	P519-W555 HydrophobicContact CG-CB 3.93Å; P519-W555 HydrophobicContact CG-CG 4.31Å; K551-W555 WeakPolarHBondContact O-CB 3.45Å; K551-W555 PolarHBondContact O-N 3.26Å; V552-W555 HydrophobicContact CG1-CE3 4.28Å; V552-W555 PolarHBondContact O-N 3.42Å; W555-K557 VanDerWaalsContact C-N 3.33Å; W555-K557 PolarHBondContact O-N 3.13Å; W555-G558 WeakPolarHBondContact O-CA 3.46Å; W555-G558 PolarHBondContact O-N 2.84Å; W555-L559 HydrophobicContact CH2-CD1 3.99Å; W555-L559 HydrophobicContact CZ2-CD1 4.14Å; W555-L559 HydrophobicContact CZ2-CD2 4.12Å; W555-L559 HydrophobicContact CZ2-CG 4.47Å; W555-L559 HydrophobicContact CZ3-CD1 4.21Å; W555-L559 PolarHBondContact O-N 3Å; W555-V581 HydrophobicContact CE3-CG1 4.28Å; W555-V581 HydrophobicContact CH2-CG1 4.09Å; W555-V581 HydrophobicContact CZ3-CG1 3.7Å; W555-V581 HydrophobicContact CZ3-CG2 4.24Å; W555-K645 HydrophobicContact CH2-CD 4.26Å; W555-K645 HydrophobicContact CH2-CG 3.88Å; W555-K645 HydrophobicContact CZ2-CB 4.4Å; W555-K645 HydrophobicContact CZ2-CD 3.69Å; W555-K645 HydrophobicContact CZ2-CG 3.7Å; W555-A646 HydrophobicContact CZ2-CB 4.46Å; W555-L649 HydrophobicContact CH2-CB 4.31Å; W555-L649 HydrophobicContact CZ3-CB 4.31Å; W555-L649 HydrophobicContact CZ3-CD1 4.18Å; W555-L649 HydrophobicContact CZ3-CD2 4.29Å
556	A	97.4	Very high	95.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-44.6	176.5	0	0	0	0	0	111.4	V552 G558 L559 F562 I574 L649	V552-A556 WeakPolarHBondContact O-CB 3.47Å; V552-A556 PolarHBondContact O-N 2.79Å; A556-G558 PolarHBondContact O-N 3.28Å; A556-G558 VanDerWaalsContact O-N 3.08Å; A556-L559 WeakPolarHBondContact O-CB 3.5Å; A556-L559 PolarHBondContact O-N 3.34Å; A556-L559 VanDerWaalsContact O-N 3.08Å; A556-F562 HydrophobicContact CB-CD1 4.41Å; A556-F562 HydrophobicContact CB-CE1 4.06Å; A556-F562 HydrophobicContact CB-CE2 4.41Å; A556-F562 HydrophobicContact CB-CZ 4.07Å; A556-F562 WeakPolarHBondContact O-CB 3.34Å; A556-F562 WeakPolarHBondContact O-CD1 3.46Å; A556-F562 VanDerWaalsContact O-CG 3.28Å; A556-F562 WeakPolarHBondContact O-CG 3.31Å; A556-I574 HydrophobicContact CB-CD1 3.84Å; A556-I574 HydrophobicContact CB-CG1 4.02Å; A556-L649 HydrophobicContact CB-CD1 4.34Å; A556-L649 HydrophobicContact CB-CD2 3.94Å
557	K	94.6	Very high	95.3	Very high	100 Å²	100	54 Å²	54	44%	0.435	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-3.9	172.8	-70.8	180	178.5	-177.7	0	114.6	V553 K554 W555 F562 R563	V553-K557 HydrophobicContact CG1-CD 4.33Å; V553-K557 WeakPolarHBondContact O-CB 3.15Å; V553-K557 WeakPolarHBondContact O-CG 3.36Å; V553-K557 PolarHBondContact O-N 2.93Å; V553-K557 VanDerWaalsContact O-N 3.16Å; K554-K557 PolarHBondContact O-N 3.45Å; W555-K557 VanDerWaalsContact C-N 3.33Å; W555-K557 PolarHBondContact O-N 3.13Å; K557-F562 HydrophobicContact CG-CE1 4.49Å; K557-R563 PolarHBondContact O-NE 3.43Å; K557-R563 PolarHBondContact O-NH2 3.08Å
558	G	94.4	Very high	95.1	Very high	29 Å²	29	53.1 Å²	53.1	30%	0.299	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-13.8	171.5	0	0	0	0	0	114.5	K554 W555 A556	K554-G558 PolarHBondContact O-N 2.89Å; W555-G558 WeakPolarHBondContact O-CA 3.46Å; W555-G558 PolarHBondContact O-N 2.84Å; A556-G558 PolarHBondContact O-N 3.28Å; A556-G558 VanDerWaalsContact O-N 3.08Å
559	L	96.4	Very high	95.1	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	27%	0.269	C	S	.	.	S	Bend	trans	-67.1	134.2	-179	-74	170.9	0	0	0	111.8	L514 I517 W555 A556 G561 F562 A646 L649 F650 Y671	L514-L559 HydrophobicContact CD2-CD2 3.49Å; L514-L559 VanDerWaalsContact CD2-CD2 3.49Å; I517-L559 HydrophobicContact CD1-CD2 3.81Å; I517-L559 HydrophobicContact CD1-CG 4.13Å; W555-L559 HydrophobicContact CH2-CD1 3.99Å; W555-L559 HydrophobicContact CZ2-CD1 4.14Å; W555-L559 HydrophobicContact CZ2-CD2 4.12Å; W555-L559 HydrophobicContact CZ2-CG 4.47Å; W555-L559 HydrophobicContact CZ3-CD1 4.21Å; W555-L559 PolarHBondContact O-N 3Å; A556-L559 WeakPolarHBondContact O-CB 3.5Å; A556-L559 PolarHBondContact O-N 3.34Å; A556-L559 VanDerWaalsContact O-N 3.08Å; L559-G561 PolarHBondContact O-N 2.85Å; L559-F562 HydrophobicContact CB-CB 3.92Å; L559-F562 PolarHBondContact O-N 3.05Å; L559-A646 HydrophobicContact CD1-CB 4.49Å; L559-A646 HydrophobicContact CD2-CB 3.88Å; L559-L649 HydrophobicContact CD1-CD2 3.39Å; L559-F650 HydrophobicContact CD1-CE2 4.38Å; L559-F650 HydrophobicContact CD1-CZ 4.39Å; L559-Y671 HydrophobicContact CD2-CE1 4.37Å
560	P	93.9	Very high	95	Very high	25 Å²	25	53.2 Å²	53.2	16%	0.162	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47	128.4	168.9	-30.5	35.5	0	0	0	112.4	L504 F510 I513 F562 Y671	L504-P560 HydrophobicContact CD1-CB 4.36Å; L504-P560 HydrophobicContact CD2-CB 4.41Å; F510-P560 HydrophobicContact CD2-CG 4.28Å; F510-P560 HydrophobicContact CE2-CG 4.4Å; I513-P560 HydrophobicContact CD1-CG 4.45Å; I513-P560 HydrophobicContact CG2-CG 3.88Å; P560-F562 VanDerWaalsContact C-N 3.27Å; P560-F562 PolarHBondContact O-N 3.27Å; P560-Y671 VanDerWaalsContact CD-OH 3.31Å; P560-Y671 WeakPolarHBondContact CD-OH 3.2Å; P560-Y671 PolarHBondContact O-OH 3.03Å
561	G	92.3	Very high	94.9	Very high	22 Å²	22	54.2 Å²	54.2	23%	0.227	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-24.8	179.4	0	0	0	0	0	116.5	L559 R563 N564 Y663	L559-G561 PolarHBondContact O-N 2.85Å; G561-R563 VanDerWaalsContact C-N 3.32Å; G561-R563 PolarHBondContact O-N 3.13Å; G561-N564 WeakPolarHBondContact O-CB 3.46Å; G561-N564 PolarHBondContact O-N 2.96Å; G561-Y663 WeakPolarHBondContact CA-OH 3.3Å; G561-Y663 PolarHBondContact O-OH 3.49Å
562	F	96.3	Very high	94.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-57.7	-39.9	-171	-178.8	-92.1	0	0	0	113.9	A556 K557 L559 P560 N564 L565 Q570 V573 I574 L649 F650	A556-F562 HydrophobicContact CB-CD1 4.41Å; A556-F562 HydrophobicContact CB-CE1 4.06Å; A556-F562 HydrophobicContact CB-CE2 4.41Å; A556-F562 HydrophobicContact CB-CZ 4.07Å; A556-F562 WeakPolarHBondContact O-CB 3.34Å; A556-F562 WeakPolarHBondContact O-CD1 3.46Å; A556-F562 VanDerWaalsContact O-CG 3.28Å; A556-F562 WeakPolarHBondContact O-CG 3.31Å; K557-F562 HydrophobicContact CG-CE1 4.49Å; L559-F562 HydrophobicContact CB-CB 3.92Å; L559-F562 PolarHBondContact O-N 3.05Å; P560-F562 VanDerWaalsContact C-N 3.27Å; P560-F562 PolarHBondContact O-N 3.27Å; F562-N564 PolarHBondContact O-N 3.18Å; F562-N564 VanDerWaalsContact O-N 3.1Å; F562-L565 HydrophobicContact CD2-CD1 4Å; F562-L565 HydrophobicContact CE2-CD1 4.19Å; F562-L565 WeakPolarHBondContact O-CB 3.38Å; F562-L565 PolarHBondContact O-N 3.42Å; F562-Q570 HydrophobicContact CD1-CG 4.19Å; F562-Q570 HydrophobicContact CE1-CB 3.67Å; F562-Q570 HydrophobicContact CE1-CG 3.67Å; F562-Q570 HydrophobicContact CZ-CB 3.62Å; F562-Q570 HydrophobicContact CZ-CG 3.9Å; F562-V573 HydrophobicContact CE2-CG1 4.24Å; F562-I574 HydrophobicContact CE1-CD1 4.17Å; F562-I574 HydrophobicContact CZ-CD1 3.77Å; F562-I574 HydrophobicContact CZ-CG1 3.94Å; F562-L649 HydrophobicContact CD2-CD2 3.7Å; F562-L649 HydrophobicContact CE2-CD2 3.66Å; F562-L649 HydrophobicContact CE2-CG 4.45Å; F562-F650 AromaticContact CD2-CE1 3.87Å; F562-F650 HydrophobicContact CD2-CE1 3.87Å; F562-F650 HydrophobicContact CD2-CZ 4.03Å
563	R	94.2	Very high	94.8	Very high	173 Å²	173	52.2 Å²	52.2	65%	0.653	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-63.1	-14.8	179.3	-69.2	-169.7	-179.7	-154.5	-0.9	114.9	K557 G561 Q570	K557-R563 PolarHBondContact O-NE 3.43Å; K557-R563 PolarHBondContact O-NH2 3.08Å; G561-R563 VanDerWaalsContact C-N 3.32Å; G561-R563 PolarHBondContact O-N 3.13Å; R563-Q570 PolarHBondContact O-NE2 3.3Å; R563-Q570 VanDerWaalsContact O-NE2 3.08Å
564	N	92.5	Very high	94.8	Very high	107 Å²	107	50.6 Å²	50.6	57%	0.572	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-90.2	-9	-177	-55.2	-16.3	0	0	0	112.7	G561 F562 Y663	G561-N564 WeakPolarHBondContact O-CB 3.46Å; G561-N564 PolarHBondContact O-N 2.96Å; F562-N564 PolarHBondContact O-N 3.18Å; F562-N564 VanDerWaalsContact O-N 3.1Å; N564-Y663 HydrophobicContact CB-CD1 4.49Å; N564-Y663 HydrophobicContact CB-CE1 3.59Å; N564-Y663 PolarHBondContact ND2-OH 2.89Å
565	L	94.1	Very high	94.8	Very high	6 Å²	6	44 Å²	44	3%	0.031	23%	0.229	C	C	.	.	S	Bend	trans	-65.9	150.9	166.5	-69.8	163.2	0	0	0	109.9	F562 D569 Q570 F650 Y663 F664 L667	F562-L565 HydrophobicContact CD2-CD1 4Å; F562-L565 HydrophobicContact CE2-CD1 4.19Å; F562-L565 WeakPolarHBondContact O-CB 3.38Å; F562-L565 PolarHBondContact O-N 3.42Å; L565-D569 HydrophobicContact CB-CB 4.35Å; L565-Q570 HydrophobicContact CB-CG 3.77Å; L565-Q570 PolarHBondContact O-NE2 3.33Å; L565-F650 HydrophobicContact CD1-CE1 4.39Å; L565-Y663 HydrophobicContact CD2-CD1 3.87Å; L565-Y663 HydrophobicContact CG-CD1 4.15Å; L565-Y663 HydrophobicContact CG-CE1 4.38Å; L565-F664 HydrophobicContact CD2-CB 3.92Å; L565-F664 HydrophobicContact CD2-CD2 4.48Å; L565-L667 HydrophobicContact CD1-CD2 4.24Å
566	H	94.4	Very high	94.6	Very high	79 Å²	79	44.2 Å²	44.2	37%	0.366	23%	0.23	S	C	.	.			trans	-52.3	143.8	169.1	-170.7	-68.4	0	0	0	110.5	D568 D569 Q570 K659 S660	H566-D568 VanDerWaalsContact C-N 3.33Å; H566-D568 IonicContact CE1-OD1 3.28Å; H566-D568 PolarHBondContact CE1-OD1 2.9Å; H566-D568 VanDerWaalsContact CE1-OD1 3.28Å; H566-D568 IonicContact CE1-OD2 3.24Å; H566-D568 PolarHBondContact CE1-OD2 3.43Å; H566-D568 VanDerWaalsContact CE1-OD2 3.24Å; H566-D568 PolarHBondContact ND1-N 2.88Å; H566-D568 IonicContact ND1-OD1 3.47Å; H566-D568 PolarHBondContact ND1-OD1 2.78Å; H566-D568 IonicContact ND1-OD2 3.71Å; H566-D568 PolarHBondContact O-N 2.92Å; H566-D569 HydrophobicContact CB-CB 4.33Å; H566-D569 WeakPolarHBondContact CB-OD2 3.4Å; H566-D569 WeakPolarHBondContact O-CA 3.42Å; H566-D569 WeakPolarHBondContact O-CB 3.41Å; H566-D569 PolarHBondContact O-N 2.79Å; H566-Q570 PolarHBondContact O-N 2.9Å; H566-K659 HydrophobicContact CB-CB 4.25Å; H566-K659 PolarHBondContact CE1-NZ 3.28Å; H566-K659 PolarHBondContact NE2-NZ 3.2Å; H566-S660 VanDerWaalsContact CB-OG 3.32Å; H566-S660 WeakPolarHBondContact CB-OG 3.16Å; H566-S660 PolarHBondContact N-OG 3.38Å
567	V	93.3	Very high	94.5	Very high	105 Å²	105	44.2 Å²	44.2	64%	0.636	23%	0.23	S	C	*	.	H	α-helix	trans	-56.5	-45.7	-174	-178.6	0	0	0	0	111.9	D569 Q570 M571	V567-D569 VanDerWaalsContact C-N 3.29Å; V567-D569 PolarHBondContact O-N 3.16Å; V567-Q570 WeakPolarHBondContact O-CB 3.2Å; V567-Q570 PolarHBondContact O-N 3.07Å; V567-Q570 VanDerWaalsContact O-N 3.17Å; V567-M571 PolarHBondContact O-N 3.27Å
568	D	93.1	Very high	94.5	Very high	76 Å²	76	39.7 Å²	39.7	41%	0.406	21%	0.21	S	C	.	.	H	α-helix	trans	-59.4	-35.8	174.2	-45.8	3.8	0	0	0	113.2	H566 M571 T572 K659	H566-D568 VanDerWaalsContact C-N 3.33Å; H566-D568 IonicContact CE1-OD1 3.28Å; H566-D568 PolarHBondContact CE1-OD1 2.9Å; H566-D568 VanDerWaalsContact CE1-OD1 3.28Å; H566-D568 IonicContact CE1-OD2 3.24Å; H566-D568 PolarHBondContact CE1-OD2 3.43Å; H566-D568 VanDerWaalsContact CE1-OD2 3.24Å; H566-D568 PolarHBondContact ND1-N 2.88Å; H566-D568 IonicContact ND1-OD1 3.47Å; H566-D568 PolarHBondContact ND1-OD1 2.78Å; H566-D568 IonicContact ND1-OD2 3.71Å; H566-D568 PolarHBondContact O-N 2.92Å; D568-M571 PolarHBondContact O-N 3.03Å; D568-T572 VanDerWaalsContact O-CB 3.25Å; D568-T572 WeakPolarHBondContact O-CB 3.33Å; D568-T572 PolarHBondContact O-N 3.1Å; D568-T572 PolarHBondContact O-OG1 2.88Å; D568-K659 WeakPolarHBondContact OD2-CE 3.49Å; D568-K659 IonicContact OD2-NZ 3.46Å; D568-K659 PolarHBondContact OD2-NZ 3.39Å
569	D	95.5	Very high	94.6	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.032	20%	0.199	C	C	.	.	H	α-helix	trans	-69.9	-42.2	175.6	-63.4	-25.3	0	0	0	110.3	L565 H566 V567 M571 T572 V573 L658 K659 S660	L565-D569 HydrophobicContact CB-CB 4.35Å; H566-D569 HydrophobicContact CB-CB 4.33Å; H566-D569 WeakPolarHBondContact CB-OD2 3.4Å; H566-D569 WeakPolarHBondContact O-CA 3.42Å; H566-D569 WeakPolarHBondContact O-CB 3.41Å; H566-D569 PolarHBondContact O-N 2.79Å; V567-D569 VanDerWaalsContact C-N 3.29Å; V567-D569 PolarHBondContact O-N 3.16Å; D569-M571 VanDerWaalsContact C-N 3.29Å; D569-M571 PolarHBondContact O-N 2.9Å; D569-T572 PolarHBondContact O-N 2.9Å; D569-V573 VanDerWaalsContact O-CB 3.27Å; D569-V573 WeakPolarHBondContact O-CB 3.43Å; D569-V573 WeakPolarHBondContact O-CG2 3.36Å; D569-V573 PolarHBondContact O-N 2.74Å; D569-L658 HydrophobicContact CB-CB 4.49Å; D569-L658 HydrophobicContact CB-CD2 4.1Å; D569-K659 PolarHBondContact OD1-N 3.42Å; D569-K659 PolarHBondContact OD2-N 3.04Å; D569-S660 WeakPolarHBondContact OD2-CA 3.26Å; D569-S660 WeakPolarHBondContact OD2-CB 3.23Å; D569-S660 PolarHBondContact OD2-N 3.11Å; D569-S660 PolarHBondContact OD2-OG 3.39Å
570	Q	95.1	Very high	94.6	Very high	22 Å²	22	38.8 Å²	38.8	10%	0.103	20%	0.199	C	C	.	.	H	α-helix	trans	-56.6	-45.2	174	-66.2	-180	44.4	0	0	110.9	F562 R563 L565 H566 V567 I574	F562-Q570 HydrophobicContact CD1-CG 4.19Å; F562-Q570 HydrophobicContact CE1-CB 3.67Å; F562-Q570 HydrophobicContact CE1-CG 3.67Å; F562-Q570 HydrophobicContact CZ-CB 3.62Å; F562-Q570 HydrophobicContact CZ-CG 3.9Å; R563-Q570 PolarHBondContact O-NE2 3.3Å; R563-Q570 VanDerWaalsContact O-NE2 3.08Å; L565-Q570 HydrophobicContact CB-CG 3.77Å; L565-Q570 PolarHBondContact O-NE2 3.33Å; H566-Q570 PolarHBondContact O-N 2.9Å; V567-Q570 WeakPolarHBondContact O-CB 3.2Å; V567-Q570 PolarHBondContact O-N 3.07Å; V567-Q570 VanDerWaalsContact O-N 3.17Å; Q570-I574 WeakPolarHBondContact O-CD1 3.47Å; Q570-I574 VanDerWaalsContact O-CG1 3.32Å; Q570-I574 WeakPolarHBondContact O-CG1 3.14Å; Q570-I574 PolarHBondContact O-N 3.29Å
571	M	93.5	Very high	94.8	Very high	99 Å²	99	37.7 Å²	37.7	49%	0.488	19%	0.192	S	C	.	.	H	α-helix	trans	-66.6	-48.7	178.6	-164	64.9	-179.6	0	0	111.3	V567 D568 D569 V573 I574 Q575	V567-M571 PolarHBondContact O-N 3.27Å; D568-M571 PolarHBondContact O-N 3.03Å; D569-M571 VanDerWaalsContact C-N 3.29Å; D569-M571 PolarHBondContact O-N 2.9Å; M571-V573 PolarHBondContact O-N 3.4Å; M571-I574 PolarHBondContact O-N 3.24Å; M571-Q575 HydrophobicContact CE-CG 4.26Å; M571-Q575 HydrophobicContact CG-CG 4.33Å; M571-Q575 WeakPolarHBondContact O-CB 3.17Å; M571-Q575 VanDerWaalsContact O-CG 3.27Å; M571-Q575 WeakPolarHBondContact O-CG 3.36Å; M571-Q575 PolarHBondContact O-N 3.49Å; M571-Q575 PolarHBondContact O-OE1 2.75Å
572	T	94.6	Very high	95	Very high	30 Å²	30	37.7 Å²	37.7	18%	0.184	19%	0.186	C	C	.	.	H	α-helix	trans	-58.3	-46.8	179.3	-61.2	0	0	0	0	111.8	D568 D569 I574 Q575 Q576 P654 L658	D568-T572 VanDerWaalsContact O-CB 3.25Å; D568-T572 WeakPolarHBondContact O-CB 3.33Å; D568-T572 PolarHBondContact O-N 3.1Å; D568-T572 PolarHBondContact O-OG1 2.88Å; D569-T572 PolarHBondContact O-N 2.9Å; T572-I574 PolarHBondContact O-N 3.01Å; T572-Q575 PolarHBondContact O-N 3.4Å; T572-Q576 HydrophobicContact CG2-CG 4.37Å; T572-Q576 WeakPolarHBondContact O-CB 3.38Å; T572-Q576 WeakPolarHBondContact O-CG 3.36Å; T572-Q576 PolarHBondContact O-N 3.33Å; T572-P654 HydrophobicContact CG2-CG 4.27Å; T572-L658 HydrophobicContact CG2-CD2 4.24Å
573	V	95.9	Very high	95.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.6	-42.6	179.6	167.3	0	0	0	0	111.1	F562 D569 M571 S577 L649 L658 F664	F562-V573 HydrophobicContact CE2-CG1 4.24Å; D569-V573 VanDerWaalsContact O-CB 3.27Å; D569-V573 WeakPolarHBondContact O-CB 3.43Å; D569-V573 WeakPolarHBondContact O-CG2 3.36Å; D569-V573 PolarHBondContact O-N 2.74Å; M571-V573 PolarHBondContact O-N 3.4Å; V573-S577 WeakPolarHBondContact O-CB 3.37Å; V573-S577 PolarHBondContact O-N 3.08Å; V573-S577 VanDerWaalsContact O-N 3.1Å; V573-S577 PolarHBondContact O-OG 3.08Å; V573-L649 HydrophobicContact CG1-CD1 4.3Å; V573-L649 HydrophobicContact CG1-CG 3.9Å; V573-L649 VanDerWaalsContact CG1-O 3.29Å; V573-L649 WeakPolarHBondContact CG1-O 3.39Å; V573-L658 HydrophobicContact CG2-CD1 3.89Å; V573-L658 HydrophobicContact CG2-CD2 4.24Å; V573-F664 HydrophobicContact CG1-CE2 4.38Å; V573-F664 HydrophobicContact CG2-CD2 4.11Å; V573-F664 HydrophobicContact CG2-CE2 3.73Å
574	I	95.9	Very high	95.3	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-66.5	-48.9	175.4	-65.9	165	0	0	0	110.8	V553 A556 F562 Q570 M571 T572 Q576 S577 W578 L649	V553-I574 HydrophobicContact CG2-CG2 4.14Å; A556-I574 HydrophobicContact CB-CD1 3.84Å; A556-I574 HydrophobicContact CB-CG1 4.02Å; F562-I574 HydrophobicContact CE1-CD1 4.17Å; F562-I574 HydrophobicContact CZ-CD1 3.77Å; F562-I574 HydrophobicContact CZ-CG1 3.94Å; Q570-I574 WeakPolarHBondContact O-CD1 3.47Å; Q570-I574 VanDerWaalsContact O-CG1 3.32Å; Q570-I574 WeakPolarHBondContact O-CG1 3.14Å; Q570-I574 PolarHBondContact O-N 3.29Å; M571-I574 PolarHBondContact O-N 3.24Å; T572-I574 PolarHBondContact O-N 3.01Å; I574-Q576 PolarHBondContact O-N 3.24Å; I574-S577 PolarHBondContact O-N 2.84Å; I574-W578 WeakPolarHBondContact O-CB 3.42Å; I574-W578 PolarHBondContact O-N 3.14Å; I574-L649 HydrophobicContact CG1-CD1 4.19Å
575	Q	94.6	Very high	95.6	Very high	28 Å²	28	25.3 Å²	25.3	13%	0.131	14%	0.135	C	C	.	.	H	α-helix	trans	-62.9	-24.7	-178.8	-72.2	172.5	-42.3	0	0	113.7	M571 T572 W578 I735 H739	M571-Q575 HydrophobicContact CE-CG 4.26Å; M571-Q575 HydrophobicContact CG-CG 4.33Å; M571-Q575 WeakPolarHBondContact O-CB 3.17Å; M571-Q575 VanDerWaalsContact O-CG 3.27Å; M571-Q575 WeakPolarHBondContact O-CG 3.36Å; M571-Q575 PolarHBondContact O-N 3.49Å; M571-Q575 PolarHBondContact O-OE1 2.75Å; T572-Q575 PolarHBondContact O-N 3.4Å; Q575-W578 PolarHBondContact O-NE1 2.82Å; Q575-I735 HydrophobicContact CG-CD1 4.12Å; Q575-I735 HydrophobicContact CG-CG1 4.3Å; Q575-H739 PolarHBondContact OE1-NE2 2.8Å
576	Q	93.8	Very high	95.7	Very high	10 Å²	10	25.3 Å²	25.3	5%	0.047	14%	0.135	C	C	.	.	H	α-helix	trans	-89.1	-31.4	175.2	-70.5	-178.2	3.3	0	0	113.7	T572 I574 I652 A748	T572-Q576 HydrophobicContact CG2-CG 4.37Å; T572-Q576 WeakPolarHBondContact O-CB 3.38Å; T572-Q576 WeakPolarHBondContact O-CG 3.36Å; T572-Q576 PolarHBondContact O-N 3.33Å; I574-Q576 PolarHBondContact O-N 3.24Å; Q576-I652 HydrophobicContact CB-CB 4.34Å; Q576-I652 HydrophobicContact CB-CG2 3.92Å; Q576-I652 WeakPolarHBondContact O-CD1 3.37Å; Q576-A748 HydrophobicContact CG-CB 4.24Å
577	S	95.6	Very high	95.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-107	-9.9	-170.4	65.7	0	0	0	0	116.1	V573 I574 M579 G580 V581 L649	V573-S577 WeakPolarHBondContact O-CB 3.37Å; V573-S577 PolarHBondContact O-N 3.08Å; V573-S577 VanDerWaalsContact O-N 3.1Å; V573-S577 PolarHBondContact O-OG 3.08Å; I574-S577 PolarHBondContact O-N 2.84Å; S577-M579 VanDerWaalsContact C-N 3.29Å; S577-M579 PolarHBondContact O-N 3.37Å; S577-M579 VanDerWaalsContact O-N 3.13Å; S577-G580 WeakPolarHBondContact O-CA 3.49Å; S577-G580 PolarHBondContact O-N 2.97Å; S577-V581 PolarHBondContact O-N 2.75Å; S577-V581 VanDerWaalsContact O-N 3.08Å; S577-L649 WeakPolarHBondContact OG-CD1 3.41Å
578	W	95.2	Very high	96.2	Very high	5 Å²	5	18.1 Å²	18.1	2%	0.019	9%	0.093	C	C	.	.	H	α-helix	trans	-47.2	-46.2	-175.4	66.9	-81.2	0	0	0	114.2	L549 I574 Q575 G580 V581 M582 H709 I732 I735	L549-W578 HydrophobicContact CD1-CB 3.75Å; L549-W578 HydrophobicContact CD1-CG 4.29Å; I574-W578 WeakPolarHBondContact O-CB 3.42Å; I574-W578 PolarHBondContact O-N 3.14Å; Q575-W578 PolarHBondContact O-NE1 2.82Å; W578-G580 VanDerWaalsContact C-N 3.34Å; W578-G580 PolarHBondContact O-N 3.36Å; W578-V581 PolarHBondContact O-N 3.3Å; W578-M582 HydrophobicContact CE3-CE 4.34Å; W578-M582 HydrophobicContact CE3-SD 3.8Å; W578-M582 HydrophobicContact CZ3-CE 4.42Å; W578-M582 HydrophobicContact CZ3-SD 4.45Å; W578-M582 WeakPolarHBondContact O-CB 3.33Å; W578-M582 WeakPolarHBondContact O-CG 3.38Å; W578-M582 PolarHBondContact O-N 2.69Å; W578-H709 AromaticContact NE1-CE1 3.84Å; W578-I732 HydrophobicContact CH2-CD1 4.02Å; W578-I732 HydrophobicContact CH2-CG1 4.07Å; W578-I732 HydrophobicContact CZ3-CD1 3.93Å; W578-I732 HydrophobicContact CZ3-CG1 4.3Å; W578-I735 HydrophobicContact CZ2-CG2 4.23Å; W578-I735 VanDerWaalsContact NE1-CG2 3.26Å
579	M	96.1	Very high	96.4	Very high	12 Å²	12	16.1 Å²	16.1	6%	0.059	8%	0.08	C	C	.	.	H	α-helix	trans	-63.5	-40	-178.6	-174	70.2	86.6	0	0	111.2	S577 M582 V583 V705 L708 H709 T712	S577-M579 VanDerWaalsContact C-N 3.29Å; S577-M579 PolarHBondContact O-N 3.37Å; S577-M579 VanDerWaalsContact O-N 3.13Å; M579-M582 PolarHBondContact O-N 2.98Å; M579-V583 HydrophobicContact CG-CG2 4.41Å; M579-V583 WeakPolarHBondContact O-CB 3.19Å; M579-V583 VanDerWaalsContact O-CG2 3.23Å; M579-V583 WeakPolarHBondContact O-CG2 3.38Å; M579-V583 PolarHBondContact O-N 3.11Å; M579-V583 HydrophobicContact SD-CG2 4.36Å; M579-V705 HydrophobicContact CB-CG1 4.07Å; M579-V705 HydrophobicContact CG-CG1 3.99Å; M579-L708 HydrophobicContact CE-CD2 4.3Å; M579-L708 HydrophobicContact CE-CG 3.96Å; M579-L708 HydrophobicContact CG-CD2 4.28Å; M579-L708 HydrophobicContact SD-CD2 3.52Å; M579-L708 VanDerWaalsContact SD-CD2 3.52Å; M579-L708 HydrophobicContact SD-CG 3.84Å; M579-H709 VanDerWaalsContact CB-CE1 3.43Å; M579-H709 WeakPolarHBondContact CB-CE1 3.11Å; M579-H709 WeakPolarHBondContact CB-NE2 3.46Å; M579-T712 HydrophobicContact CE-CG2 4.5Å
580	G	96.9	Very high	96.5	Very high	4 Å²	4	15.8 Å²	15.8	4%	0.041	8%	0.078	C	C	.	.	H	α-helix	trans	-64.5	-47.8	174.9	0	0	0	0	0	112.3	S577 W578 M582 F584	S577-G580 WeakPolarHBondContact O-CA 3.49Å; S577-G580 PolarHBondContact O-N 2.97Å; W578-G580 VanDerWaalsContact C-N 3.34Å; W578-G580 PolarHBondContact O-N 3.36Å; G580-M582 VanDerWaalsContact C-N 3.33Å; G580-M582 PolarHBondContact O-N 3.02Å; G580-F584 VanDerWaalsContact O-CB 3.26Å; G580-F584 WeakPolarHBondContact O-CB 3.41Å; G580-F584 PolarHBondContact O-N 2.87Å
581	V	97.9	Very high	96.6	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.006	8%	0.077	C	C	.	.	H	α-helix	trans	-60.8	-41.7	177	176.8	0	0	0	0	111.3	V552 W555 S577 W578 A585 K645 L648 L649	V552-V581 HydrophobicContact CG1-CG1 4.23Å; V552-V581 HydrophobicContact CG2-CG1 4.26Å; W555-V581 HydrophobicContact CE3-CG1 4.28Å; W555-V581 HydrophobicContact CH2-CG1 4.09Å; W555-V581 HydrophobicContact CZ3-CG1 3.7Å; W555-V581 HydrophobicContact CZ3-CG2 4.24Å; S577-V581 PolarHBondContact O-N 2.75Å; S577-V581 VanDerWaalsContact O-N 3.08Å; W578-V581 PolarHBondContact O-N 3.3Å; V581-A585 WeakPolarHBondContact O-CB 3.26Å; V581-A585 PolarHBondContact O-N 2.93Å; V581-K645 HydrophobicContact CG1-CG 4.21Å; V581-L648 HydrophobicContact CG2-CB 4.44Å; V581-L649 HydrophobicContact CG2-CB 4.36Å; V581-L649 HydrophobicContact CG2-CD1 4.37Å
582	M	97.1	Very high	96.6	Very high	22 Å²	22	15.7 Å²	15.7	11%	0.108	7%	0.074	C	C	.	.	H	α-helix	trans	-73.9	-40.7	-178.8	-75.1	173	51.5	0	0	113.2	G545 Q548 L549 V552 W578 M579 G580 A585 L586	G545-M582 WeakPolarHBondContact O-CE 3.39Å; Q548-M582 HydrophobicContact CB-CE 3.96Å; Q548-M582 HydrophobicContact CB-SD 4.36Å; L549-M582 HydrophobicContact CB-SD 4.4Å; V552-M582 HydrophobicContact CG2-CG 4.01Å; V552-M582 HydrophobicContact CG2-SD 4.49Å; W578-M582 HydrophobicContact CE3-CE 4.34Å; W578-M582 HydrophobicContact CE3-SD 3.8Å; W578-M582 HydrophobicContact CZ3-CE 4.42Å; W578-M582 HydrophobicContact CZ3-SD 4.45Å; W578-M582 WeakPolarHBondContact O-CB 3.33Å; W578-M582 WeakPolarHBondContact O-CG 3.38Å; W578-M582 PolarHBondContact O-N 2.69Å; M579-M582 PolarHBondContact O-N 2.98Å; G580-M582 VanDerWaalsContact C-N 3.33Å; G580-M582 PolarHBondContact O-N 3.02Å; M582-A585 PolarHBondContact O-N 3.1Å; M582-L586 WeakPolarHBondContact O-CB 3.26Å; M582-L586 PolarHBondContact O-N 3.35Å
583	V	97.9	Very high	96.6	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.03	9%	0.087	C	C	.	.	H	α-helix	trans	-64.7	-41.1	173.2	173	0	0	0	0	110.6	M579 A585 L586 V587 M624 L701 L708	M579-V583 HydrophobicContact CG-CG2 4.41Å; M579-V583 WeakPolarHBondContact O-CB 3.19Å; M579-V583 VanDerWaalsContact O-CG2 3.23Å; M579-V583 WeakPolarHBondContact O-CG2 3.38Å; M579-V583 PolarHBondContact O-N 3.11Å; M579-V583 HydrophobicContact SD-CG2 4.36Å; V583-A585 PolarHBondContact O-N 3.39Å; V583-L586 WeakPolarHBondContact O-CB 3.39Å; V583-L586 PolarHBondContact O-N 2.95Å; V583-V587 HydrophobicContact CG1-CG2 4.36Å; V583-V587 WeakPolarHBondContact O-CB 3.5Å; V583-V587 VanDerWaalsContact O-CG2 3.26Å; V583-V587 WeakPolarHBondContact O-CG2 3.25Å; V583-V587 PolarHBondContact O-N 3.48Å; V583-M624 HydrophobicContact CG1-CG 3.9Å; V583-M624 HydrophobicContact CG1-SD 4Å; V583-M624 HydrophobicContact CG2-SD 3.98Å; V583-L701 HydrophobicContact CB-CD1 4.17Å; V583-L701 HydrophobicContact CG1-CD1 3.59Å; V583-L708 HydrophobicContact CG2-CD2 3.65Å
584	F	98.3	Very high	96.4	Very high	4 Å²	4	20 Å²	20	2%	0.018	10%	0.097	C	C	.	.	H	α-helix	trans	-65.1	-39.3	176.9	-163.2	-108.1	0	0	0	112.1	G580 V587 W588 F631 F641 M644 K645 L648 L698 L701	G580-F584 VanDerWaalsContact O-CB 3.26Å; G580-F584 WeakPolarHBondContact O-CB 3.41Å; G580-F584 PolarHBondContact O-N 2.87Å; F584-V587 PolarHBondContact O-N 3.27Å; F584-W588 PolarHBondContact O-N 2.86Å; F584-F631 HydrophobicContact CD2-CE1 4.24Å; F584-F631 HydrophobicContact CD2-CZ 4Å; F584-F631 HydrophobicContact CE1-CZ 4.2Å; F584-F631 AromaticContact CE2-CE1 3.76Å; F584-F631 HydrophobicContact CE2-CE1 3.76Å; F584-F631 AromaticContact CE2-CZ 3.45Å; F584-F631 HydrophobicContact CE2-CZ 3.45Å; F584-F631 VanDerWaalsContact CE2-CZ 3.45Å; F584-F631 HydrophobicContact CZ-CE1 4.29Å; F584-F631 HydrophobicContact CZ-CE2 4.48Å; F584-F631 AromaticContact CZ-CZ 3.55Å; F584-F631 HydrophobicContact CZ-CZ 3.55Å; F584-F641 AromaticContact CD1-CD2 3.79Å; F584-F641 HydrophobicContact CD1-CD2 3.79Å; F584-F641 AromaticContact CD1-CE2 3.57Å; F584-F641 HydrophobicContact CD1-CE2 3.57Å; F584-F641 AromaticContact CE1-CD2 3.44Å; F584-F641 HydrophobicContact CE1-CD2 3.44Å; F584-F641 VanDerWaalsContact CE1-CD2 3.44Å; F584-F641 AromaticContact CE1-CE2 3.75Å; F584-F641 HydrophobicContact CE1-CE2 3.75Å; F584-F641 HydrophobicContact CE1-CG 4.49Å; F584-F641 HydrophobicContact CZ-CD2 4.3Å; F584-M644 HydrophobicContact CE1-CB 3.75Å; F584-M644 HydrophobicContact CE2-CE 4.25Å; F584-M644 HydrophobicContact CZ-CB 3.54Å; F584-M644 HydrophobicContact CZ-CE 3.9Å; F584-M644 HydrophobicContact CZ-CG 4.46Å; F584-M644 HydrophobicContact CZ-SD 4.24Å; F584-K645 HydrophobicContact CD1-CB 3.87Å; F584-K645 HydrophobicContact CD1-CG 4.34Å; F584-K645 HydrophobicContact CE1-CB 4.02Å; F584-L648 HydrophobicContact CB-CD1 3.49Å; F584-L648 VanDerWaalsContact CB-CD1 3.49Å; F584-L648 HydrophobicContact CD1-CD1 3.75Å; F584-L648 HydrophobicContact CD2-CD1 3.58Å; F584-L648 HydrophobicContact CE1-CD1 4.32Å; F584-L648 HydrophobicContact CE2-CD1 4.16Å; F584-L648 HydrophobicContact CG-CD1 3.34Å; F584-L698 HydrophobicContact CE2-CD2 3.85Å; F584-L698 HydrophobicContact CZ-CD2 4.04Å; F584-L701 HydrophobicContact CB-CD2 4.1Å; F584-L701 HydrophobicContact CD2-CD2 4.02Å; F584-L701 HydrophobicContact CG-CD2 4.46Å
585	A	98.1	Very high	96.1	Very high	11 Å²	11	23.8 Å²	23.8	9%	0.091	12%	0.118	C	C	.	.	H	α-helix	trans	-68.1	-36.2	173.2	0	0	0	0	0	113.1	V581 M582 V583 R589	V581-A585 WeakPolarHBondContact O-CB 3.26Å; V581-A585 PolarHBondContact O-N 2.93Å; M582-A585 PolarHBondContact O-N 3.1Å; V583-A585 PolarHBondContact O-N 3.39Å; A585-R589 WeakPolarHBondContact O-CG 3.36Å; A585-R589 PolarHBondContact O-N 3.49Å; A585-R589 VanDerWaalsContact O-N 3.08Å; A585-R589 PolarHBondContact O-NH1 3.44Å
586	L	98	Very high	95.9	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.031	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-45.3	170.5	162.5	67.4	0	0	0	111.2	M582 V583 R589 S590 L599 Y600 F601 M624	M582-L586 WeakPolarHBondContact O-CB 3.26Å; M582-L586 PolarHBondContact O-N 3.35Å; V583-L586 WeakPolarHBondContact O-CB 3.39Å; V583-L586 PolarHBondContact O-N 2.95Å; L586-R589 PolarHBondContact O-N 3.45Å; L586-S590 VanDerWaalsContact O-CB 3.31Å; L586-S590 WeakPolarHBondContact O-CB 3.47Å; L586-S590 PolarHBondContact O-N 2.7Å; L586-S590 PolarHBondContact O-OG 3.45Å; L586-L599 HydrophobicContact CD1-CB 4.37Å; L586-L599 HydrophobicContact CG-CD2 4.49Å; L586-Y600 WeakPolarHBondContact CD1-O 3.2Å; L586-F601 HydrophobicContact CD1-CB 4.35Å; L586-F601 HydrophobicContact CD1-CD1 3.76Å; L586-F601 HydrophobicContact CD1-CD2 4.21Å; L586-F601 HydrophobicContact CD1-CE1 4.1Å; L586-F601 HydrophobicContact CD1-CG 3.83Å; L586-F601 HydrophobicContact CD1-CZ 4.46Å; L586-F601 HydrophobicContact CD2-CD1 3.88Å; L586-F601 HydrophobicContact CD2-CE1 3.44Å; L586-F601 VanDerWaalsContact CD2-CE1 3.44Å; L586-F601 HydrophobicContact CD2-CZ 3.88Å; L586-F601 HydrophobicContact CG-CD1 4.43Å; L586-F601 HydrophobicContact CG-CE1 4.41Å; L586-M624 HydrophobicContact CD2-CE 4.33Å; L586-M624 HydrophobicContact CD2-SD 3.6Å; L586-M624 VanDerWaalsContact CD2-SD 3.6Å
587	V	98.3	Very high	95.6	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	13%	0.134	C	C	.	.	H	α-helix	trans	-60.7	-44.7	177.8	162.7	0	0	0	0	110.7	V583 F584 S590 Y591 L627 S628 F631	V583-V587 HydrophobicContact CG1-CG2 4.36Å; V583-V587 WeakPolarHBondContact O-CB 3.5Å; V583-V587 VanDerWaalsContact O-CG2 3.26Å; V583-V587 WeakPolarHBondContact O-CG2 3.25Å; V583-V587 PolarHBondContact O-N 3.48Å; F584-V587 PolarHBondContact O-N 3.27Å; V587-S590 PolarHBondContact O-N 2.94Å; V587-Y591 WeakPolarHBondContact O-CB 3.23Å; V587-Y591 PolarHBondContact O-N 2.89Å; V587-L627 HydrophobicContact CG1-CB 4.34Å; V587-L627 HydrophobicContact CG2-CB 3.84Å; V587-S628 PolarHBondContact O-OG 3.08Å; V587-F631 HydrophobicContact CB-CE1 4.49Å; V587-F631 HydrophobicContact CG1-CD1 3.32Å; V587-F631 HydrophobicContact CG1-CD2 4.41Å; V587-F631 HydrophobicContact CG1-CE1 3.28Å; V587-F631 HydrophobicContact CG1-CE2 4.4Å; V587-F631 HydrophobicContact CG1-CG 3.9Å; V587-F631 HydrophobicContact CG1-CZ 3.85Å
588	W	97.9	Very high	95.6	Very high	31 Å²	31	31.4 Å²	31.4	12%	0.117	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-47.2	174.1	177.3	-112	0	0	0	113.6	F584 S590 Y591 K592 F631 I636 T637 Q638 F641	F584-W588 PolarHBondContact O-N 2.86Å; W588-S590 VanDerWaalsContact C-N 3.27Å; W588-S590 PolarHBondContact O-N 3.13Å; W588-Y591 AromaticContact CE3-CD1 3.7Å; W588-Y591 HydrophobicContact CE3-CD1 3.7Å; W588-Y591 HydrophobicContact CE3-CE1 4.11Å; W588-Y591 HydrophobicContact CH2-CE1 4.49Å; W588-Y591 AromaticContact CZ3-CD1 3.82Å; W588-Y591 HydrophobicContact CZ3-CD1 3.82Å; W588-Y591 AromaticContact CZ3-CE1 3.72Å; W588-Y591 HydrophobicContact CZ3-CE1 3.72Å; W588-Y591 PolarHBondContact O-N 3.33Å; W588-K592 HydrophobicContact CD2-CG 4.19Å; W588-K592 HydrophobicContact CE3-CG 4.49Å; W588-K592 HydrophobicContact CH2-CD 4.34Å; W588-K592 HydrophobicContact CH2-CG 4.49Å; W588-K592 HydrophobicContact CZ2-CD 4.35Å; W588-K592 HydrophobicContact CZ2-CG 4.12Å; W588-K592 VanDerWaalsContact CZ3-CE 3.4Å; W588-K592 PolarHBondContact O-N 2.95Å; W588-F631 AromaticContact CE3-CD2 3.98Å; W588-F631 HydrophobicContact CE3-CD2 3.98Å; W588-F631 AromaticContact CE3-CE2 3.78Å; W588-F631 HydrophobicContact CE3-CE2 3.78Å; W588-F631 HydrophobicContact CZ3-CE2 4.46Å; W588-I636 HydrophobicContact CZ3-CB 4.48Å; W588-I636 HydrophobicContact CZ3-CG2 4.2Å; W588-T637 WeakPolarHBondContact CH2-O 3.15Å; W588-T637 WeakPolarHBondContact CZ3-O 3.34Å; W588-Q638 VanDerWaalsContact CH2-CA 3.43Å; W588-Q638 HydrophobicContact CH2-CB 3.96Å; W588-Q638 HydrophobicContact CH2-CG 4.47Å; W588-Q638 HydrophobicContact CZ2-CB 3.92Å; W588-Q638 HydrophobicContact CZ2-CG 3.96Å; W588-F641 HydrophobicContact CB-CD2 3.65Å; W588-F641 HydrophobicContact CB-CE1 4.29Å; W588-F641 HydrophobicContact CB-CE2 3.31Å; W588-F641 HydrophobicContact CB-CG 4.28Å; W588-F641 HydrophobicContact CB-CZ 3.66Å; W588-F641 AromaticContact CD1-CD1 3.87Å; W588-F641 AromaticContact CD1-CE1 3.51Å; W588-F641 AromaticContact CD1-CZ 3.65Å; W588-F641 HydrophobicContact CD2-CB 4.02Å; W588-F641 AromaticContact CD2-CD1 3.67Å; W588-F641 HydrophobicContact CD2-CD1 3.67Å; W588-F641 AromaticContact CD2-CD2 3.8Å; W588-F641 HydrophobicContact CD2-CD2 3.8Å; W588-F641 HydrophobicContact CD2-CE1 4.09Å; W588-F641 HydrophobicContact CD2-CE2 4.21Å; W588-F641 AromaticContact CD2-CG 3.51Å; W588-F641 HydrophobicContact CD2-CG 3.51Å; W588-F641 HydrophobicContact CD2-CZ 4.33Å; W588-F641 AromaticContact CE2-CD1 3.61Å; W588-F641 AromaticContact CE2-CG 3.9Å; W588-F641 HydrophobicContact CE3-CB 3.65Å; W588-F641 HydrophobicContact CE3-CD1 4.22Å; W588-F641 AromaticContact CE3-CD2 3.9Å; W588-F641 HydrophobicContact CE3-CD2 3.9Å; W588-F641 AromaticContact CE3-CG 3.63Å; W588-F641 HydrophobicContact CE3-CG 3.63Å; W588-F641 AromaticContact CG-CD1 3.84Å; W588-F641 HydrophobicContact CG-CD1 3.84Å; W588-F641 AromaticContact CG-CD2 3.73Å; W588-F641 HydrophobicContact CG-CD2 3.73Å; W588-F641 AromaticContact CG-CE1 3.74Å; W588-F641 HydrophobicContact CG-CE1 3.74Å; W588-F641 AromaticContact CG-CE2 3.63Å; W588-F641 HydrophobicContact CG-CE2 3.63Å; W588-F641 AromaticContact CG-CG 3.83Å; W588-F641 HydrophobicContact CG-CG 3.83Å; W588-F641 AromaticContact CG-CZ 3.63Å; W588-F641 HydrophobicContact CG-CZ 3.63Å; W588-F641 HydrophobicContact CH2-CB 3.93Å; W588-F641 HydrophobicContact CH2-CG 4.38Å; W588-F641 HydrophobicContact CZ2-CB 4.31Å; W588-F641 HydrophobicContact CZ2-CD1 4.09Å; W588-F641 HydrophobicContact CZ2-CG 4.34Å; W588-F641 HydrophobicContact CZ3-CB 3.59Å; W588-F641 HydrophobicContact CZ3-CG 4.06Å; W588-F641 AromaticContact NE1-CD1 3.75Å; W588-F641 AromaticContact NE1-CE1 3.72Å
589	R	97.2	Very high	95.7	Very high	34 Å²	34	31.1 Å²	31.1	13%	0.128	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-38.4	174.8	-68.7	-172.4	-56	-94	18.8	111.8	A585 L586 N593 Y600 F601	A585-R589 WeakPolarHBondContact O-CG 3.36Å; A585-R589 PolarHBondContact O-N 3.49Å; A585-R589 VanDerWaalsContact O-N 3.08Å; A585-R589 PolarHBondContact O-NH1 3.44Å; L586-R589 PolarHBondContact O-N 3.45Å; R589-N593 WeakPolarHBondContact O-CB 3.47Å; R589-N593 PolarHBondContact O-N 3.43Å; R589-Y600 HydrophobicContact CB-CD1 3.95Å; R589-Y600 HydrophobicContact CB-CG 4.42Å; R589-Y600 PolarHBondContact NE-O 2.91Å; R589-Y600 VanDerWaalsContact NE-O 3.08Å; R589-F601 PolarHBondContact NE-O 3.04Å; R589-F601 PolarHBondContact NH2-O 3.34Å
590	S	97.8	Very high	95.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-69.2	-38.4	179.5	-56.8	0	0	0	0	111.9	L586 V587 W588 V594 N595 G596 M598 Y600 S628	L586-S590 VanDerWaalsContact O-CB 3.31Å; L586-S590 WeakPolarHBondContact O-CB 3.47Å; L586-S590 PolarHBondContact O-N 2.7Å; L586-S590 PolarHBondContact O-OG 3.45Å; V587-S590 PolarHBondContact O-N 2.94Å; W588-S590 VanDerWaalsContact C-N 3.27Å; W588-S590 PolarHBondContact O-N 3.13Å; S590-V594 CarbonylContact O-C 3.52Å; S590-V594 WeakPolarHBondContact O-CG2 3.4Å; S590-V594 PolarHBondContact O-N 3.12Å; S590-N595 PolarHBondContact O-N 3.4Å; S590-N595 VanDerWaalsContact O-N 3.16Å; S590-G596 PolarHBondContact O-N 2.94Å; S590-M598 WeakPolarHBondContact CB-O 3.5Å; S590-Y600 PolarHBondContact OG-N 3.04Å; S590-S628 VanDerWaalsContact CB-OG 3.29Å; S590-S628 WeakPolarHBondContact CB-OG 3.36Å
591	Y	97.4	Very high	95.7	Very high	20 Å²	20	33.5 Å²	33.5	8%	0.078	16%	0.155	C	C	.	.	H	α-helix	trans	-62.4	-56.5	171.3	163.7	-134.8	0	0	0	111.4	V587 W588 N595 S628 F631 V632 Q635 I636	V587-Y591 WeakPolarHBondContact O-CB 3.23Å; V587-Y591 PolarHBondContact O-N 2.89Å; W588-Y591 AromaticContact CE3-CD1 3.7Å; W588-Y591 HydrophobicContact CE3-CD1 3.7Å; W588-Y591 HydrophobicContact CE3-CE1 4.11Å; W588-Y591 HydrophobicContact CH2-CE1 4.49Å; W588-Y591 AromaticContact CZ3-CD1 3.82Å; W588-Y591 HydrophobicContact CZ3-CD1 3.82Å; W588-Y591 AromaticContact CZ3-CE1 3.72Å; W588-Y591 HydrophobicContact CZ3-CE1 3.72Å; W588-Y591 PolarHBondContact O-N 3.33Å; Y591-N595 VanDerWaalsContact O-CA 3.24Å; Y591-N595 WeakPolarHBondContact O-CA 3.36Å; Y591-N595 PolarHBondContact O-N 3.22Å; Y591-N595 VanDerWaalsContact O-N 3.13Å; Y591-S628 PolarHBondContact N-OG 3.27Å; Y591-S628 VanDerWaalsContact N-OG 3.08Å; Y591-F631 HydrophobicContact CD1-CB 4.09Å; Y591-F631 AromaticContact CD1-CD2 3.77Å; Y591-F631 HydrophobicContact CD1-CD2 3.77Å; Y591-F631 HydrophobicContact CD1-CG 4.42Å; Y591-F631 HydrophobicContact CD2-CB 4.31Å; Y591-F631 HydrophobicContact CE1-CD2 4.37Å; Y591-F631 HydrophobicContact CG-CB 3.87Å; Y591-F631 HydrophobicContact CG-CD2 4.3Å; Y591-V632 HydrophobicContact CD2-CG2 3.63Å; Y591-V632 HydrophobicContact CE2-CG2 4.11Å; Y591-Q635 PolarHBondContact OH-OE1 3.36Å; Y591-I636 HydrophobicContact CE1-CB 4.45Å; Y591-I636 WeakPolarHBondContact CE1-O 3.4Å; Y591-I636 PolarHBondContact OH-O 2.8Å
592	K	95	Very high	95.6	Very high	98 Å²	98	33.4 Å²	33.4	43%	0.426	16%	0.155	S	C	.	.	H	α-helix	trans	-70.2	-39.2	-174.5	-64.6	-58.7	-175.6	-169.4	0	114	W588	W588-K592 HydrophobicContact CD2-CG 4.19Å; W588-K592 HydrophobicContact CE3-CG 4.49Å; W588-K592 HydrophobicContact CH2-CD 4.34Å; W588-K592 HydrophobicContact CH2-CG 4.49Å; W588-K592 HydrophobicContact CZ2-CD 4.35Å; W588-K592 HydrophobicContact CZ2-CG 4.12Å; W588-K592 VanDerWaalsContact CZ3-CE 3.4Å; W588-K592 PolarHBondContact O-N 2.95Å
593	N	93.1	Very high	95.3	Very high	85 Å²	85	35.2 Å²	35.2	46%	0.455	17%	0.168	S	C	.	.	H	α-helix	trans	-95.2	-25.6	-169.7	-58.6	-9.4	0	0	0	113.8	R589 Y600	R589-N593 WeakPolarHBondContact O-CB 3.47Å; R589-N593 PolarHBondContact O-N 3.43Å; N593-Y600 HydrophobicContact CB-CD1 4.47Å; N593-Y600 HydrophobicContact CB-CD2 3.62Å; N593-Y600 HydrophobicContact CB-CE2 3.77Å; N593-Y600 HydrophobicContact CB-CG 3.99Å; N593-Y600 WeakPolarHBondContact ND2-CD1 3.35Å; N593-Y600 WeakPolarHBondContact ND2-CE1 3.49Å; N593-Y600 VanDerWaalsContact ND2-CZ 3.3Å
594	V	91.8	Very high	95.1	Very high	36 Å²	36	36.8 Å²	36.8	22%	0.218	18%	0.176	C	C	.	.	H	α-helix	trans	-137.8	17.4	-175.6	-66.8	0	0	0	0	113.6	S590 G596 R597 M598 Y600	S590-V594 CarbonylContact O-C 3.52Å; S590-V594 WeakPolarHBondContact O-CG2 3.4Å; S590-V594 PolarHBondContact O-N 3.12Å; V594-G596 PolarHBondContact O-N 3.15Å; V594-G596 VanDerWaalsContact O-N 3.16Å; V594-R597 PolarHBondContact O-N 2.92Å; V594-M598 HydrophobicContact CB-CB 4.17Å; V594-M598 HydrophobicContact CG1-CB 4.48Å; V594-M598 HydrophobicContact CG2-CB 3.94Å; V594-M598 WeakPolarHBondContact CG2-O 3.19Å; V594-Y600 HydrophobicContact CG1-CD2 4.16Å
595	N	90.6	Very high	94.9	Very high	85 Å²	85	36.6 Å²	36.6	46%	0.455	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	38.9	175.5	-164.6	31.1	0	0	0	113.6	S590 Y591 R597 V632	S590-N595 PolarHBondContact O-N 3.4Å; S590-N595 VanDerWaalsContact O-N 3.16Å; Y591-N595 VanDerWaalsContact O-CA 3.24Å; Y591-N595 WeakPolarHBondContact O-CA 3.36Å; Y591-N595 PolarHBondContact O-N 3.22Å; Y591-N595 VanDerWaalsContact O-N 3.13Å; N595-R597 PolarHBondContact O-N 2.88Å; N595-R597 VanDerWaalsContact O-N 3.1Å; N595-V632 WeakPolarHBondContact OD1-CG2 3.13Å
596	G	89.6	Confident	94.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	9.3	-179.7	0	0	0	0	0	116.3	S590 V594 R625 S628	S590-G596 PolarHBondContact O-N 2.94Å; V594-G596 PolarHBondContact O-N 3.15Å; V594-G596 VanDerWaalsContact O-N 3.16Å; G596-R625 WeakPolarHBondContact O-CG 3.38Å; G596-S628 VanDerWaalsContact CA-OG 3.28Å; G596-S628 WeakPolarHBondContact CA-OG 3.24Å
597	R	88.6	Confident	94.6	Very high	138 Å²	138	37.5 Å²	37.5	52%	0.521	18%	0.18	S	C	.	.	S	Bend	trans	-86.7	-19.9	-178.8	-64.1	-177.8	175.8	-171	-4.3	114	V594 N595	V594-R597 PolarHBondContact O-N 2.92Å; N595-R597 PolarHBondContact O-N 2.88Å; N595-R597 VanDerWaalsContact O-N 3.1Å
598	M	94	Very high	94.3	Very high	60 Å²	60	40.4 Å²	40.4	30%	0.296	20%	0.196	S	C	.	.	S	Bend	trans	-140.7	167.7	-179.1	-64.1	-175.9	-170.6	0	0	108.7	S590 V594 V606 F607 N608	S590-M598 WeakPolarHBondContact CB-O 3.5Å; V594-M598 HydrophobicContact CB-CB 4.17Å; V594-M598 HydrophobicContact CG1-CB 4.48Å; V594-M598 HydrophobicContact CG2-CB 3.94Å; V594-M598 WeakPolarHBondContact CG2-O 3.19Å; M598-V606 HydrophobicContact CB-CG1 4.26Å; M598-V606 HydrophobicContact SD-CG1 4.43Å; M598-F607 WeakPolarHBondContact CB-O 3.4Å; M598-N608 HydrophobicContact CE-CB 4.31Å; M598-N608 HydrophobicContact SD-CB 4.02Å
599	L	97.4	Very high	93.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.2	174.9	-69.9	178.7	0	0	0	111.1	L586 F601 F607 C621 M624 R625	L586-L599 HydrophobicContact CD1-CB 4.37Å; L586-L599 HydrophobicContact CG-CD2 4.49Å; L599-F601 HydrophobicContact CB-CD2 4.01Å; L599-F601 HydrophobicContact CB-CE2 3.63Å; L599-F601 HydrophobicContact CB-CZ 4.4Å; L599-F601 HydrophobicContact CD1-CE2 3.86Å; L599-F601 HydrophobicContact CD1-CZ 3.97Å; L599-F601 HydrophobicContact CG-CE2 4.42Å; L599-F601 PolarHBondContact O-N 3.14Å; L599-F607 HydrophobicContact CB-CB 4Å; L599-F607 PolarHBondContact N-O 3.2Å; L599-F607 PolarHBondContact O-N 2.84Å; L599-C621 HydrophobicContact CD1-CB 3.67Å; L599-M624 HydrophobicContact CD1-CB 4.16Å; L599-M624 HydrophobicContact CD1-CE 4.19Å; L599-M624 HydrophobicContact CD2-CB 3.96Å; L599-R625 HydrophobicContact CD2-CB 4.47Å
600	Y	97	Very high	93.5	Very high	44 Å²	44	47.5 Å²	47.5	17%	0.173	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	76.4	-179.3	-161.7	-81	0	0	0	110.3	L586 R589 S590 N593 V594 P603 V606	L586-Y600 WeakPolarHBondContact CD1-O 3.2Å; R589-Y600 HydrophobicContact CB-CD1 3.95Å; R589-Y600 HydrophobicContact CB-CG 4.42Å; R589-Y600 PolarHBondContact NE-O 2.91Å; R589-Y600 VanDerWaalsContact NE-O 3.08Å; S590-Y600 PolarHBondContact OG-N 3.04Å; N593-Y600 HydrophobicContact CB-CD1 4.47Å; N593-Y600 HydrophobicContact CB-CD2 3.62Å; N593-Y600 HydrophobicContact CB-CE2 3.77Å; N593-Y600 HydrophobicContact CB-CG 3.99Å; N593-Y600 WeakPolarHBondContact ND2-CD1 3.35Å; N593-Y600 WeakPolarHBondContact ND2-CE1 3.49Å; N593-Y600 VanDerWaalsContact ND2-CZ 3.3Å; V594-Y600 HydrophobicContact CG1-CD2 4.16Å; Y600-P603 HydrophobicContact CE1-CG 4.22Å; Y600-P603 WeakPolarHBondContact OH-CA 3.45Å; Y600-V606 HydrophobicContact CD2-CG2 3.63Å; Y600-V606 HydrophobicContact CE2-CG2 3.82Å; Y600-V606 HydrophobicContact CG-CG2 4.33Å
601	F	96.6	Very high	93.3	Very high	21 Å²	21	49 Å²	49	9%	0.092	24%	0.237	C	C	.	.	S	Bend	trans	-64.8	-50	177.9	-69.6	-89.6	0	0	0	110.8	L541 L544 Q548 L586 R589 L599 L605 F607 M624	L541-F601 HydrophobicContact CD2-CB 4.08Å; L541-F601 HydrophobicContact CD2-CD1 3.38Å; L541-F601 HydrophobicContact CD2-CD2 4.05Å; L541-F601 HydrophobicContact CD2-CE1 3.66Å; L541-F601 HydrophobicContact CD2-CE2 4.29Å; L541-F601 HydrophobicContact CD2-CG 3.58Å; L541-F601 HydrophobicContact CD2-CZ 4.11Å; L544-F601 HydrophobicContact CD2-CB 3.78Å; Q548-F601 PolarHBondContact NE2-O 3.42Å; L586-F601 HydrophobicContact CD1-CB 4.35Å; L586-F601 HydrophobicContact CD1-CD1 3.76Å; L586-F601 HydrophobicContact CD1-CD2 4.21Å; L586-F601 HydrophobicContact CD1-CE1 4.1Å; L586-F601 HydrophobicContact CD1-CG 3.83Å; L586-F601 HydrophobicContact CD1-CZ 4.46Å; L586-F601 HydrophobicContact CD2-CD1 3.88Å; L586-F601 HydrophobicContact CD2-CE1 3.44Å; L586-F601 VanDerWaalsContact CD2-CE1 3.44Å; L586-F601 HydrophobicContact CD2-CZ 3.88Å; L586-F601 HydrophobicContact CG-CD1 4.43Å; L586-F601 HydrophobicContact CG-CE1 4.41Å; R589-F601 PolarHBondContact NE-O 3.04Å; R589-F601 PolarHBondContact NH2-O 3.34Å; L599-F601 HydrophobicContact CB-CD2 4.01Å; L599-F601 HydrophobicContact CB-CE2 3.63Å; L599-F601 HydrophobicContact CB-CZ 4.4Å; L599-F601 HydrophobicContact CD1-CE2 3.86Å; L599-F601 HydrophobicContact CD1-CZ 3.97Å; L599-F601 HydrophobicContact CG-CE2 4.42Å; L599-F601 PolarHBondContact O-N 3.14Å; F601-L605 HydrophobicContact CB-CD2 4.42Å; F601-L605 HydrophobicContact CB-CG 4.48Å; F601-L605 WeakPolarHBondContact CB-O 3.49Å; F601-L605 PolarHBondContact N-O 3.02Å; F601-F607 HydrophobicContact CD2-CB 4.1Å; F601-F607 AromaticContact CD2-CD1 3.87Å; F601-F607 HydrophobicContact CD2-CD1 3.87Å; F601-F607 HydrophobicContact CD2-CD2 4.42Å; F601-F607 HydrophobicContact CD2-CE1 4.38Å; F601-F607 AromaticContact CD2-CG 3.9Å; F601-F607 HydrophobicContact CD2-CG 3.9Å; F601-F607 HydrophobicContact CE2-CB 3.89Å; F601-F607 HydrophobicContact CE2-CD1 4.02Å; F601-F607 AromaticContact CE2-CD2 3.73Å; F601-F607 HydrophobicContact CE2-CD2 3.73Å; F601-F607 HydrophobicContact CE2-CE1 4.47Å; F601-F607 HydrophobicContact CE2-CE2 4.2Å; F601-F607 AromaticContact CE2-CG 3.63Å; F601-F607 HydrophobicContact CE2-CG 3.63Å; F601-M624 HydrophobicContact CZ-CE 4.14Å
602	A	95.6	Very high	93.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-149.7	167.1	174.2	0	0	0	0	0	111	V522 A524 L544 D604 L605	V522-A602 WeakPolarHBondContact O-CB 3.32Å; A524-A602 HydrophobicContact CB-CB 4.22Å; L544-A602 HydrophobicContact CD1-CB 4Å; L544-A602 HydrophobicContact CD2-CB 3.82Å; A602-D604 WeakPolarHBondContact CB-OD1 3.43Å; A602-D604 PolarHBondContact O-N 2.87Å; A602-L605 HydrophobicContact CB-CB 4.13Å; A602-L605 PolarHBondContact N-O 3.29Å; A602-L605 VanDerWaalsContact N-O 3.14Å; A602-L605 CarbonylContact O-C 3.57Å; A602-L605 PolarHBondContact O-N 2.83Å
603	P	91.8	Very high	93	Very high	60 Å²	60	48.6 Å²	48.6	39%	0.39	24%	0.237	S	C	.	.	S	Bend	trans	-60	-29.1	178.7	-24.6	35.5	0	0	0	114.8	V521 N523 Y600	V521-P603 HydrophobicContact CG1-CG 3.58Å; N523-P603 WeakPolarHBondContact OD1-CD 3.35Å; Y600-P603 HydrophobicContact CE1-CG 4.22Å; Y600-P603 WeakPolarHBondContact OH-CA 3.45Å
604	D	92.3	Very high	93	Very high	38 Å²	38	46.6 Å²	46.6	20%	0.203	23%	0.226	C	C	.	.	S	Bend	trans	-93.8	-14.1	174.7	57.2	-25.4	0	0	0	113.3	N523 A524 G525 H526 A602	N523-D604 WeakPolarHBondContact CA-OD1 3.4Å; A524-D604 VanDerWaalsContact N-CG 3.32Å; A524-D604 PolarHBondContact N-OD1 3.34Å; A524-D604 PolarHBondContact N-OD2 3.46Å; G525-D604 PolarHBondContact N-OD2 2.61Å; H526-D604 PolarHBondContact N-OD2 3.3Å; A602-D604 WeakPolarHBondContact CB-OD1 3.43Å; A602-D604 PolarHBondContact O-N 2.87Å
605	L	94	Very high	92.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.216	C	C	.	.			trans	-126.8	76.8	-178.6	-164.7	65.1	0	0	0	111.2	A524 H526 L537 L541 L544 F601 A602 F607	A524-L605 HydrophobicContact CB-CB 3.66Å; A524-L605 HydrophobicContact CB-CD2 3.73Å; A524-L605 HydrophobicContact CB-CG 4.28Å; H526-L605 HydrophobicContact CB-CD1 4.1Å; L537-L605 HydrophobicContact CD2-CD1 4.15Å; L541-L605 HydrophobicContact CD2-CD2 3.66Å; L541-L605 HydrophobicContact CG-CD2 3.99Å; L544-L605 HydrophobicContact CD2-CD2 4.34Å; F601-L605 HydrophobicContact CB-CD2 4.42Å; F601-L605 HydrophobicContact CB-CG 4.48Å; F601-L605 WeakPolarHBondContact CB-O 3.49Å; F601-L605 PolarHBondContact N-O 3.02Å; A602-L605 HydrophobicContact CB-CB 4.13Å; A602-L605 PolarHBondContact N-O 3.29Å; A602-L605 VanDerWaalsContact N-O 3.14Å; A602-L605 CarbonylContact O-C 3.57Å; A602-L605 PolarHBondContact O-N 2.83Å; L605-F607 HydrophobicContact CD1-CD1 4.38Å; L605-F607 HydrophobicContact CD1-CE1 3.86Å; L605-F607 HydrophobicContact CD2-CE1 4.38Å; L605-F607 HydrophobicContact CG-CD1 4.29Å; L605-F607 HydrophobicContact CG-CE1 3.95Å
606	V	94.8	Very high	92.7	Very high	36 Å²	36	45.2 Å²	45.2	22%	0.218	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.1	168.9	-175.1	0	0	0	0	109.3	M598 Y600 R611	M598-V606 HydrophobicContact CB-CG1 4.26Å; M598-V606 HydrophobicContact SD-CG1 4.43Å; Y600-V606 HydrophobicContact CD2-CG2 3.63Å; Y600-V606 HydrophobicContact CE2-CG2 3.82Å; Y600-V606 HydrophobicContact CG-CG2 4.33Å; V606-R611 VanDerWaalsContact O-CD 3.26Å; V606-R611 WeakPolarHBondContact O-CD 3.18Å; V606-R611 PolarHBondContact O-NH1 3.35Å
607	F	95	Very high	92.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	108.3	178	-92.6	42.8	0	0	0	109.8	L537 L541 M598 L599 F601 L605 R611 M612 S615 M617	L537-F607 HydrophobicContact CB-CZ 4.15Å; L537-F607 HydrophobicContact CD1-CZ 4.27Å; L537-F607 HydrophobicContact CD2-CE1 3.99Å; L537-F607 HydrophobicContact CD2-CZ 4.24Å; L537-F607 HydrophobicContact CG-CZ 4.47Å; L541-F607 HydrophobicContact CD1-CE1 4.37Å; L541-F607 HydrophobicContact CD1-CE2 4.11Å; L541-F607 HydrophobicContact CD1-CZ 3.59Å; L541-F607 HydrophobicContact CD2-CZ 4.47Å; L541-F607 HydrophobicContact CG-CZ 4.21Å; M598-F607 WeakPolarHBondContact CB-O 3.4Å; L599-F607 HydrophobicContact CB-CB 4Å; L599-F607 PolarHBondContact N-O 3.2Å; L599-F607 PolarHBondContact O-N 2.84Å; F601-F607 HydrophobicContact CD2-CB 4.1Å; F601-F607 AromaticContact CD2-CD1 3.87Å; F601-F607 HydrophobicContact CD2-CD1 3.87Å; F601-F607 HydrophobicContact CD2-CD2 4.42Å; F601-F607 HydrophobicContact CD2-CE1 4.38Å; F601-F607 AromaticContact CD2-CG 3.9Å; F601-F607 HydrophobicContact CD2-CG 3.9Å; F601-F607 HydrophobicContact CE2-CB 3.89Å; F601-F607 HydrophobicContact CE2-CD1 4.02Å; F601-F607 AromaticContact CE2-CD2 3.73Å; F601-F607 HydrophobicContact CE2-CD2 3.73Å; F601-F607 HydrophobicContact CE2-CE1 4.47Å; F601-F607 HydrophobicContact CE2-CE2 4.2Å; F601-F607 AromaticContact CE2-CG 3.63Å; F601-F607 HydrophobicContact CE2-CG 3.63Å; L605-F607 HydrophobicContact CD1-CD1 4.38Å; L605-F607 HydrophobicContact CD1-CE1 3.86Å; L605-F607 HydrophobicContact CD2-CE1 4.38Å; L605-F607 HydrophobicContact CG-CD1 4.29Å; L605-F607 HydrophobicContact CG-CE1 3.95Å; F607-R611 HydrophobicContact CB-CB 4.45Å; F607-R611 HydrophobicContact CD1-CB 4.25Å; F607-R611 HydrophobicContact CD2-CB 4.41Å; F607-R611 HydrophobicContact CG-CB 4.1Å; F607-M612 HydrophobicContact CB-CG 4.25Å; F607-M612 HydrophobicContact CD2-CG 4.17Å; F607-S615 VanDerWaalsContact CE2-CB 3.47Å; F607-M617 HydrophobicContact CE2-CE 4.43Å
608	N	92	Very high	93.1	Very high	63 Å²	63	42.6 Å²	42.6	34%	0.337	21%	0.212	S	C	.	.			trans	-85.7	174.8	162.3	63.2	23	0	0	0	110.1	M598 H610 R611 M612	M598-N608 HydrophobicContact CE-CB 4.31Å; M598-N608 HydrophobicContact SD-CB 4.02Å; N608-H610 VanDerWaalsContact C-N 3.26Å; N608-H610 PolarHBondContact O-N 2.86Å; N608-H610 PolarHBondContact OD1-N 3.34Å; N608-R611 PolarHBondContact O-N 2.75Å; N608-R611 VanDerWaalsContact O-N 3.1Å; N608-R611 PolarHBondContact OD1-N 3.43Å; N608-M612 VanDerWaalsContact O-CG 3.29Å; N608-M612 WeakPolarHBondContact O-CG 3.31Å; N608-M612 PolarHBondContact O-N 3.14Å
609	E	90.1	Very high	93	Very high	100 Å²	100	44.6 Å²	44.6	47%	0.467	22%	0.221	S	C	.	.	H	α-helix	trans	-51.1	-40.3	179.4	-175.3	165.4	-134.4	0	0	113.9	M612 Q613	E609-M612 WeakPolarHBondContact O-CB 3.46Å; E609-M612 PolarHBondContact O-N 3.39Å; E609-Q613 WeakPolarHBondContact O-CG 3.46Å; E609-Q613 PolarHBondContact O-N 3.05Å; E609-Q613 VanDerWaalsContact O-N 3.1Å
610	H	90.1	Very high	92.9	Very high	114 Å²	114	45.9 Å²	45.9	53%	0.528	23%	0.227	S	C	.	.	H	α-helix	trans	-66.5	-45.8	177	-177.4	53	0	0	0	112.5	N608 M612 Q613 I614	N608-H610 VanDerWaalsContact C-N 3.26Å; N608-H610 PolarHBondContact O-N 2.86Å; N608-H610 PolarHBondContact OD1-N 3.34Å; H610-M612 VanDerWaalsContact C-N 3.34Å; H610-M612 PolarHBondContact O-N 3.42Å; H610-Q613 WeakPolarHBondContact O-CB 3.47Å; H610-Q613 PolarHBondContact O-N 3.4Å; H610-I614 WeakPolarHBondContact O-CG1 3.45Å; H610-I614 PolarHBondContact O-N 3.07Å
611	R	92.9	Very high	92.9	Very high	31 Å²	31	43.8 Å²	43.8	12%	0.117	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-37	174.6	-77.6	178.9	162.5	-155.5	-21	112.4	H526 D532 L537 V606 F607 N608 Q613 I614 S615	H526-R611 PolarHBondContact NE2-NH2 3.14Å; D532-R611 VanDerWaalsContact CG-NH2 3.31Å; D532-R611 IonicContact OD1-CZ 2.75Å; D532-R611 IonicContact OD1-NE 2.68Å; D532-R611 IonicContact OD1-NH2 3.21Å; D532-R611 PolarHBondContact OD1-NH2 3.42Å; D532-R611 IonicContact OD2-CZ 2.69Å; D532-R611 IonicContact OD2-NE 3.78Å; D532-R611 PolarHBondContact OD2-NE 3.49Å; D532-R611 IonicContact OD2-NH2 2.93Å; D532-R611 PolarHBondContact OD2-NH2 2.93Å; L537-R611 HydrophobicContact CD1-CB 4.42Å; V606-R611 VanDerWaalsContact O-CD 3.26Å; V606-R611 WeakPolarHBondContact O-CD 3.18Å; V606-R611 PolarHBondContact O-NH1 3.35Å; F607-R611 HydrophobicContact CB-CB 4.45Å; F607-R611 HydrophobicContact CD1-CB 4.25Å; F607-R611 HydrophobicContact CD2-CB 4.41Å; F607-R611 HydrophobicContact CG-CB 4.1Å; N608-R611 PolarHBondContact O-N 2.75Å; N608-R611 VanDerWaalsContact O-N 3.1Å; N608-R611 PolarHBondContact OD1-N 3.43Å; R611-Q613 VanDerWaalsContact C-N 3.31Å; R611-Q613 PolarHBondContact O-N 2.99Å; R611-I614 PolarHBondContact O-N 3.29Å; R611-S615 VanDerWaalsContact O-CB 3.24Å; R611-S615 WeakPolarHBondContact O-CB 3.37Å; R611-S615 PolarHBondContact O-N 2.84Å; R611-S615 PolarHBondContact O-OG 3.05Å
612	M	93.9	Very high	92.9	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-58.7	-42.8	173.2	-67	166.5	49.3	0	0	111.2	F607 N608 E609 H610 S615 Y618 C621 M622	F607-M612 HydrophobicContact CB-CG 4.25Å; F607-M612 HydrophobicContact CD2-CG 4.17Å; N608-M612 VanDerWaalsContact O-CG 3.29Å; N608-M612 WeakPolarHBondContact O-CG 3.31Å; N608-M612 PolarHBondContact O-N 3.14Å; E609-M612 WeakPolarHBondContact O-CB 3.46Å; E609-M612 PolarHBondContact O-N 3.39Å; H610-M612 VanDerWaalsContact C-N 3.34Å; H610-M612 PolarHBondContact O-N 3.42Å; M612-S615 PolarHBondContact O-OG 3.15Å; M612-Y618 HydrophobicContact CB-CD2 3.89Å; M612-Y618 HydrophobicContact CB-CE2 4.46Å; M612-Y618 HydrophobicContact CE-CD2 4.33Å; M612-Y618 HydrophobicContact CE-CE2 4.19Å; M612-Y618 WeakPolarHBondContact O-CA 3.38Å; M612-Y618 PolarHBondContact O-N 2.91Å; M612-C621 HydrophobicContact CB-CB 4.1Å; M612-C621 HydrophobicContact CE-CB 3.72Å; M612-C621 HydrophobicContact CG-CB 3.67Å; M612-C621 HydrophobicContact SD-CB 4.2Å; M612-M622 HydrophobicContact CE-CG 4Å; M612-M622 HydrophobicContact CE-SD 3.77Å
613	Q	91.7	Very high	92.9	Very high	108 Å²	108	46.5 Å²	46.5	51%	0.505	23%	0.229	S	C	.	.	H	α-helix	trans	-66.5	-47.7	175.2	-69.4	167.7	-8.9	0	0	112.5	E609 H610 R611 S615 Y618	E609-Q613 WeakPolarHBondContact O-CG 3.46Å; E609-Q613 PolarHBondContact O-N 3.05Å; E609-Q613 VanDerWaalsContact O-N 3.1Å; H610-Q613 WeakPolarHBondContact O-CB 3.47Å; H610-Q613 PolarHBondContact O-N 3.4Å; R611-Q613 VanDerWaalsContact C-N 3.31Å; R611-Q613 PolarHBondContact O-N 2.99Å; Q613-S615 VanDerWaalsContact C-N 3.3Å; Q613-S615 PolarHBondContact O-N 2.99Å; Q613-Y618 HydrophobicContact CG-CD2 3.67Å; Q613-Y618 HydrophobicContact CG-CE2 3.9Å
614	I	93.1	Very high	93.2	Very high	43 Å²	43	43.8 Å²	43.8	22%	0.221	21%	0.211	C	C	.	.	H	α-helix	trans	-61.3	-37.8	179	-66.3	169.6	0	0	0	111.7	D532 A534 L537 H610 R611 T616	D532-I614 HydrophobicContact CB-CD1 3.96Å; D532-I614 HydrophobicContact CB-CG2 4.41Å; A534-I614 VanDerWaalsContact CA-O 3.3Å; A534-I614 WeakPolarHBondContact CA-O 3.44Å; A534-I614 WeakPolarHBondContact CB-O 3.44Å; L537-I614 HydrophobicContact CD1-CB 4.05Å; L537-I614 HydrophobicContact CD1-CG2 3.79Å; H610-I614 WeakPolarHBondContact O-CG1 3.45Å; H610-I614 PolarHBondContact O-N 3.07Å; R611-I614 PolarHBondContact O-N 3.29Å; I614-T616 PolarHBondContact O-N 3.25Å
615	S	89	Confident	93.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-0.7	-172.5	71.2	0	0	0	0	116.5	F607 R611 M612 Q613 M617	F607-S615 VanDerWaalsContact CE2-CB 3.47Å; R611-S615 VanDerWaalsContact O-CB 3.24Å; R611-S615 WeakPolarHBondContact O-CB 3.37Å; R611-S615 PolarHBondContact O-N 2.84Å; R611-S615 PolarHBondContact O-OG 3.05Å; M612-S615 PolarHBondContact O-OG 3.15Å; Q613-S615 VanDerWaalsContact C-N 3.3Å; Q613-S615 PolarHBondContact O-N 2.99Å; S615-M617 PolarHBondContact O-N 3.47Å; S615-M617 PolarHBondContact OG-N 3.4Å
616	T	86.8	Confident	93.4	Very high	92 Å²	92	47.4 Å²	47.4	56%	0.564	23%	0.225	S	C	*	.	S	Bend	trans	53.4	-5.2	-166.3	64.2	0	0	0	0	116.4	A534 I614 Y618	A534-T616 HydrophobicContact CB-CG2 4.09Å; I614-T616 PolarHBondContact O-N 3.25Å; T616-Y618 PolarHBondContact O-N 2.99Å
617	M	92.3	Very high	93.5	Very high	12 Å²	12	46.3 Å²	46.3	6%	0.059	22%	0.218	C	C	.	.			trans	-88.4	14.6	177	-62.2	-159.3	-52.4	0	0	114.9	L538 L541 F607 S615 E619 H620 C621 F711	L538-M617 HydrophobicContact CD2-CE 4.46Å; L538-M617 HydrophobicContact CD2-CG 3.8Å; L538-M617 HydrophobicContact CD2-SD 3.86Å; L541-M617 HydrophobicContact CD1-CE 3.34Å; F607-M617 HydrophobicContact CE2-CE 4.43Å; S615-M617 PolarHBondContact O-N 3.47Å; S615-M617 PolarHBondContact OG-N 3.4Å; M617-E619 VanDerWaalsContact C-N 3.28Å; M617-E619 PolarHBondContact O-N 3.15Å; M617-E619 VanDerWaalsContact O-N 3.07Å; M617-H620 WeakPolarHBondContact O-CA 3.42Å; M617-H620 PolarHBondContact O-N 3.37Å; M617-C621 PolarHBondContact O-N 2.9Å; M617-F711 HydrophobicContact CG-CD1 4.23Å; M617-F711 HydrophobicContact CG-CE1 3.46Å; M617-F711 VanDerWaalsContact CG-CE1 3.46Å; M617-F711 HydrophobicContact CG-CE2 4.16Å; M617-F711 HydrophobicContact CG-CZ 3.43Å; M617-F711 VanDerWaalsContact CG-CZ 3.43Å; M617-F711 HydrophobicContact SD-CD1 4.02Å; M617-F711 HydrophobicContact SD-CE1 3.47Å; M617-F711 WeakPolarHBondContact SD-CE1 3.45Å; M617-F711 HydrophobicContact SD-CZ 4.1Å
618	Y	94	Very high	93.6	Very high	71 Å²	71	46.3 Å²	46.3	28%	0.278	22%	0.218	S	C	.	.	H	α-helix	trans	-44.6	-50.9	-169.9	-177.9	-97.1	0	0	0	113.3	M612 Q613 T616 H620 C621 M622	M612-Y618 HydrophobicContact CB-CD2 3.89Å; M612-Y618 HydrophobicContact CB-CE2 4.46Å; M612-Y618 HydrophobicContact CE-CD2 4.33Å; M612-Y618 HydrophobicContact CE-CE2 4.19Å; M612-Y618 WeakPolarHBondContact O-CA 3.38Å; M612-Y618 PolarHBondContact O-N 2.91Å; Q613-Y618 HydrophobicContact CG-CD2 3.67Å; Q613-Y618 HydrophobicContact CG-CE2 3.9Å; T616-Y618 PolarHBondContact O-N 2.99Å; Y618-H620 VanDerWaalsContact C-N 3.33Å; Y618-H620 PolarHBondContact O-N 3.33Å; Y618-C621 PolarHBondContact O-N 2.92Å; Y618-M622 HydrophobicContact CD1-CG 3.95Å; Y618-M622 HydrophobicContact CE1-CG 3.58Å; Y618-M622 HydrophobicContact CE1-SD 4.12Å; Y618-M622 HydrophobicContact CE2-CG 4.26Å; Y618-M622 HydrophobicContact CE2-SD 4.25Å; Y618-M622 HydrophobicContact CG-CG 4.44Å; Y618-M622 VanDerWaalsContact O-CG 3.26Å; Y618-M622 WeakPolarHBondContact O-CG 3.32Å; Y618-M622 PolarHBondContact O-N 3.16Å
619	E	93.7	Very high	93.8	Very high	102 Å²	102	46.5 Å²	46.5	48%	0.477	22%	0.217	S	C	.	.	H	α-helix	trans	-58.5	-36.1	177.5	-86.4	-57.7	108	0	0	114.9	M617 R623	M617-E619 VanDerWaalsContact C-N 3.28Å; M617-E619 PolarHBondContact O-N 3.15Å; M617-E619 VanDerWaalsContact O-N 3.07Å; E619-R623 WeakPolarHBondContact O-CD 3.33Å; E619-R623 VanDerWaalsContact O-CG 3.3Å; E619-R623 WeakPolarHBondContact O-CG 3.08Å; E619-R623 PolarHBondContact O-N 3.23Å; E619-R623 PolarHBondContact O-NE 2.94Å; E619-R623 IonicContact OE2-CZ 2.75Å; E619-R623 IonicContact OE2-NE 3.55Å; E619-R623 IonicContact OE2-NH2 3.49Å; E619-R623 PolarHBondContact OE2-NH2 3.32Å
620	H	95.4	Very high	94.1	Very high	27 Å²	27	44.2 Å²	44.2	13%	0.125	21%	0.206	C	C	.	.	H	α-helix	trans	-79.2	-39.6	178.8	-60.2	-101.8	0	0	0	110	M617 Y618 M622 R623 M624 K707 L708	M617-H620 WeakPolarHBondContact O-CA 3.42Å; M617-H620 PolarHBondContact O-N 3.37Å; Y618-H620 VanDerWaalsContact C-N 3.33Å; Y618-H620 PolarHBondContact O-N 3.33Å; H620-M622 VanDerWaalsContact C-N 3.34Å; H620-M622 PolarHBondContact O-N 2.97Å; H620-R623 PolarHBondContact O-N 3.35Å; H620-M624 WeakPolarHBondContact O-CG 3.45Å; H620-M624 PolarHBondContact O-N 2.84Å; H620-K707 PolarHBondContact CE1-O 3.25Å; H620-L708 HydrophobicContact CB-CD1 4.2Å
621	C	97.1	Very high	94.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.9	-39.3	172.8	-65.6	0	0	0	0	112.5	L599 M612 M617 Y618 M624 R625	L599-C621 HydrophobicContact CD1-CB 3.67Å; M612-C621 HydrophobicContact CB-CB 4.1Å; M612-C621 HydrophobicContact CE-CB 3.72Å; M612-C621 HydrophobicContact CG-CB 3.67Å; M612-C621 HydrophobicContact SD-CB 4.2Å; M617-C621 PolarHBondContact O-N 2.9Å; Y618-C621 PolarHBondContact O-N 2.92Å; C621-M624 PolarHBondContact O-N 2.95Å; C621-R625 VanDerWaalsContact O-CB 3.31Å; C621-R625 WeakPolarHBondContact O-CB 2.83Å; C621-R625 PolarHBondContact O-N 3.13Å
622	M	95.4	Very high	94.7	Very high	20 Å²	20	39 Å²	39	10%	0.099	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-48.4	174.6	-75	-68.6	-74	0	0	111.4	M612 Y618 H620 M624 R625 H626	M612-M622 HydrophobicContact CE-CG 4Å; M612-M622 HydrophobicContact CE-SD 3.77Å; Y618-M622 HydrophobicContact CD1-CG 3.95Å; Y618-M622 HydrophobicContact CE1-CG 3.58Å; Y618-M622 HydrophobicContact CE1-SD 4.12Å; Y618-M622 HydrophobicContact CE2-CG 4.26Å; Y618-M622 HydrophobicContact CE2-SD 4.25Å; Y618-M622 HydrophobicContact CG-CG 4.44Å; Y618-M622 VanDerWaalsContact O-CG 3.26Å; Y618-M622 WeakPolarHBondContact O-CG 3.32Å; Y618-M622 PolarHBondContact O-N 3.16Å; H620-M622 VanDerWaalsContact C-N 3.34Å; H620-M622 PolarHBondContact O-N 2.97Å; M622-M624 PolarHBondContact O-N 3.02Å; M622-R625 WeakPolarHBondContact O-CB 3.37Å; M622-R625 PolarHBondContact O-N 3.04Å; M622-R625 VanDerWaalsContact O-N 3.14Å; M622-R625 VanDerWaalsContact SD-CZ 3.51Å; M622-R625 PolarHBondContact SD-NH2 3.49Å; M622-H626 PolarHBondContact O-CD2 3.26Å; M622-H626 PolarHBondContact O-N 3.07Å
623	R	95.9	Very high	94.7	Very high	59 Å²	59	43.5 Å²	43.5	22%	0.223	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-42.2	178.3	-63.7	162.7	-158.9	143.6	1.5	112.2	E619 H620 R625 H626 L627 T704	E619-R623 WeakPolarHBondContact O-CD 3.33Å; E619-R623 VanDerWaalsContact O-CG 3.3Å; E619-R623 WeakPolarHBondContact O-CG 3.08Å; E619-R623 PolarHBondContact O-N 3.23Å; E619-R623 PolarHBondContact O-NE 2.94Å; E619-R623 IonicContact OE2-CZ 2.75Å; E619-R623 IonicContact OE2-NE 3.55Å; E619-R623 IonicContact OE2-NH2 3.49Å; E619-R623 PolarHBondContact OE2-NH2 3.32Å; H620-R623 PolarHBondContact O-N 3.35Å; R623-R625 VanDerWaalsContact C-N 3.33Å; R623-R625 PolarHBondContact O-N 3.1Å; R623-H626 PolarHBondContact O-N 3.04Å; R623-L627 PolarHBondContact O-N 3.41Å; R623-L627 VanDerWaalsContact O-N 3.07Å; R623-T704 HydrophobicContact CB-CG2 3.93Å
624	M	97.1	Very high	94.9	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.015	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-34.8	173.7	-67.1	-174	-70	0	0	112.5	V583 L586 L599 F601 H620 C621 M622 S628 T704 L708	V583-M624 HydrophobicContact CG1-CG 3.9Å; V583-M624 HydrophobicContact CG1-SD 4Å; V583-M624 HydrophobicContact CG2-SD 3.98Å; L586-M624 HydrophobicContact CD2-CE 4.33Å; L586-M624 HydrophobicContact CD2-SD 3.6Å; L586-M624 VanDerWaalsContact CD2-SD 3.6Å; L599-M624 HydrophobicContact CD1-CB 4.16Å; L599-M624 HydrophobicContact CD1-CE 4.19Å; L599-M624 HydrophobicContact CD2-CB 3.96Å; F601-M624 HydrophobicContact CZ-CE 4.14Å; H620-M624 WeakPolarHBondContact O-CG 3.45Å; H620-M624 PolarHBondContact O-N 2.84Å; C621-M624 PolarHBondContact O-N 2.95Å; M622-M624 PolarHBondContact O-N 3.02Å; M624-S628 PolarHBondContact O-N 2.69Å; M624-S628 VanDerWaalsContact O-N 3.12Å; M624-T704 HydrophobicContact CG-CG2 4.03Å; M624-L708 HydrophobicContact SD-CD2 4.04Å
625	R	96.5	Very high	94.9	Very high	39 Å²	39	42.8 Å²	42.8	15%	0.147	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-41.8	174.1	-169.8	179.2	73.5	-177.9	5.8	111.2	G596 L599 C621 M622 R623 S628 Q629	G596-R625 WeakPolarHBondContact O-CG 3.38Å; L599-R625 HydrophobicContact CD2-CB 4.47Å; C621-R625 VanDerWaalsContact O-CB 3.31Å; C621-R625 WeakPolarHBondContact O-CB 2.83Å; C621-R625 PolarHBondContact O-N 3.13Å; M622-R625 WeakPolarHBondContact O-CB 3.37Å; M622-R625 PolarHBondContact O-N 3.04Å; M622-R625 VanDerWaalsContact O-N 3.14Å; M622-R625 VanDerWaalsContact SD-CZ 3.51Å; M622-R625 PolarHBondContact SD-NH2 3.49Å; R623-R625 VanDerWaalsContact C-N 3.33Å; R623-R625 PolarHBondContact O-N 3.1Å; R625-S628 CarbonylContact O-C 3.54Å; R625-S628 WeakPolarHBondContact O-CA 3.41Å; R625-S628 WeakPolarHBondContact O-CB 3.21Å; R625-S628 PolarHBondContact O-N 2.89Å; R625-Q629 WeakPolarHBondContact O-CG 3.31Å; R625-Q629 PolarHBondContact O-N 2.87Å
626	H	95.5	Very high	95.3	Very high	74 Å²	74	42.9 Å²	42.9	34%	0.343	21%	0.206	S	C	.	.	H	α-helix	trans	-63.6	-42.2	177.1	-61.3	173.4	0	0	0	111.6	M622 R623 S628 Q629 E630	M622-H626 PolarHBondContact O-CD2 3.26Å; M622-H626 PolarHBondContact O-N 3.07Å; R623-H626 PolarHBondContact O-N 3.04Å; H626-S628 VanDerWaalsContact C-N 3.25Å; H626-S628 PolarHBondContact O-N 3.22Å; H626-Q629 PolarHBondContact CD2-OE1 3.2Å; H626-Q629 VanDerWaalsContact CD2-OE1 3.29Å; H626-Q629 WeakPolarHBondContact O-CA 3.13Å; H626-Q629 WeakPolarHBondContact O-CB 3.38Å; H626-Q629 PolarHBondContact O-N 3.32Å; H626-E630 PolarHBondContact O-N 2.92Å
627	L	96.8	Very high	95.7	Very high	14 Å²	14	39.6 Å²	39.6	7%	0.073	19%	0.186	C	C	.	.	H	α-helix	trans	-57.7	-38.7	170.5	-69.9	168.6	0	0	0	111.9	V587 R623 Q629 E630 F631 L697 L701 T704	V587-L627 HydrophobicContact CG1-CB 4.34Å; V587-L627 HydrophobicContact CG2-CB 3.84Å; R623-L627 PolarHBondContact O-N 3.41Å; R623-L627 VanDerWaalsContact O-N 3.07Å; L627-Q629 VanDerWaalsContact C-N 3.27Å; L627-Q629 PolarHBondContact O-N 3.23Å; L627-E630 PolarHBondContact O-N 2.95Å; L627-F631 WeakPolarHBondContact O-CD1 3.47Å; L627-F631 PolarHBondContact O-N 2.7Å; L627-L697 HydrophobicContact CD2-CD1 3.86Å; L627-L701 HydrophobicContact CD1-CD1 3.68Å; L627-T704 HydrophobicContact CD1-CG2 4.05Å
628	S	97.3	Very high	95.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-72.4	-14.7	173.9	-167.4	0	0	0	0	114.9	V587 S590 Y591 G596 M624 R625 H626 V632	V587-S628 PolarHBondContact O-OG 3.08Å; S590-S628 VanDerWaalsContact CB-OG 3.29Å; S590-S628 WeakPolarHBondContact CB-OG 3.36Å; Y591-S628 PolarHBondContact N-OG 3.27Å; Y591-S628 VanDerWaalsContact N-OG 3.08Å; G596-S628 VanDerWaalsContact CA-OG 3.28Å; G596-S628 WeakPolarHBondContact CA-OG 3.24Å; M624-S628 PolarHBondContact O-N 2.69Å; M624-S628 VanDerWaalsContact O-N 3.12Å; R625-S628 CarbonylContact O-C 3.54Å; R625-S628 WeakPolarHBondContact O-CA 3.41Å; R625-S628 WeakPolarHBondContact O-CB 3.21Å; R625-S628 PolarHBondContact O-N 2.89Å; H626-S628 VanDerWaalsContact C-N 3.25Å; H626-S628 PolarHBondContact O-N 3.22Å; S628-V632 WeakPolarHBondContact O-CG2 3.46Å
629	Q	95.9	Very high	95.9	Very high	66 Å²	66	42.9 Å²	42.9	31%	0.308	20%	0.204	S	C	.	.	H	α-helix	trans	-86	-37.3	171.5	-69.4	167.6	-36.3	0	0	110.8	R625 H626 L627 F631 V632 L633	R625-Q629 WeakPolarHBondContact O-CG 3.31Å; R625-Q629 PolarHBondContact O-N 2.87Å; H626-Q629 PolarHBondContact CD2-OE1 3.2Å; H626-Q629 VanDerWaalsContact CD2-OE1 3.29Å; H626-Q629 WeakPolarHBondContact O-CA 3.13Å; H626-Q629 WeakPolarHBondContact O-CB 3.38Å; H626-Q629 PolarHBondContact O-N 3.32Å; L627-Q629 VanDerWaalsContact C-N 3.27Å; L627-Q629 PolarHBondContact O-N 3.23Å; Q629-F631 PolarHBondContact O-N 2.94Å; Q629-V632 WeakPolarHBondContact O-CA 3.29Å; Q629-V632 WeakPolarHBondContact O-CB 3.28Å; Q629-V632 PolarHBondContact O-N 3.31Å; Q629-L633 WeakPolarHBondContact O-CG 3.49Å; Q629-L633 PolarHBondContact O-N 3.36Å
630	E	97	Very high	96.1	Very high	53 Å²	53	38 Å²	38	25%	0.248	18%	0.181	C	C	.	.	H	α-helix	trans	-57	-38.1	169.2	-67.4	-65.7	106.3	0	0	111.7	H626 L627 V632 L633 L634 L697	H626-E630 PolarHBondContact O-N 2.92Å; L627-E630 PolarHBondContact O-N 2.95Å; E630-V632 VanDerWaalsContact C-N 3.3Å; E630-V632 PolarHBondContact O-N 2.99Å; E630-L633 PolarHBondContact O-N 3.23Å; E630-L634 WeakPolarHBondContact O-CB 3.43Å; E630-L634 WeakPolarHBondContact O-CG 3.42Å; E630-L634 PolarHBondContact O-N 3.22Å; E630-L697 HydrophobicContact CB-CD1 3.84Å; E630-L697 HydrophobicContact CG-CD1 4.32Å
631	F	97.8	Very high	96.2	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-60.2	-35.4	172.5	-92.8	67.2	0	0	0	113.6	F584 V587 W588 Y591 L627 Q629 Q635 I636 F641 L697	F584-F631 HydrophobicContact CD2-CE1 4.24Å; F584-F631 HydrophobicContact CD2-CZ 4Å; F584-F631 HydrophobicContact CE1-CZ 4.2Å; F584-F631 AromaticContact CE2-CE1 3.76Å; F584-F631 HydrophobicContact CE2-CE1 3.76Å; F584-F631 AromaticContact CE2-CZ 3.45Å; F584-F631 HydrophobicContact CE2-CZ 3.45Å; F584-F631 VanDerWaalsContact CE2-CZ 3.45Å; F584-F631 HydrophobicContact CZ-CE1 4.29Å; F584-F631 HydrophobicContact CZ-CE2 4.48Å; F584-F631 AromaticContact CZ-CZ 3.55Å; F584-F631 HydrophobicContact CZ-CZ 3.55Å; V587-F631 HydrophobicContact CB-CE1 4.49Å; V587-F631 HydrophobicContact CG1-CD1 3.32Å; V587-F631 HydrophobicContact CG1-CD2 4.41Å; V587-F631 HydrophobicContact CG1-CE1 3.28Å; V587-F631 HydrophobicContact CG1-CE2 4.4Å; V587-F631 HydrophobicContact CG1-CG 3.9Å; V587-F631 HydrophobicContact CG1-CZ 3.85Å; W588-F631 AromaticContact CE3-CD2 3.98Å; W588-F631 HydrophobicContact CE3-CD2 3.98Å; W588-F631 AromaticContact CE3-CE2 3.78Å; W588-F631 HydrophobicContact CE3-CE2 3.78Å; W588-F631 HydrophobicContact CZ3-CE2 4.46Å; Y591-F631 HydrophobicContact CD1-CB 4.09Å; Y591-F631 AromaticContact CD1-CD2 3.77Å; Y591-F631 HydrophobicContact CD1-CD2 3.77Å; Y591-F631 HydrophobicContact CD1-CG 4.42Å; Y591-F631 HydrophobicContact CD2-CB 4.31Å; Y591-F631 HydrophobicContact CE1-CD2 4.37Å; Y591-F631 HydrophobicContact CG-CB 3.87Å; Y591-F631 HydrophobicContact CG-CD2 4.3Å; L627-F631 WeakPolarHBondContact O-CD1 3.47Å; L627-F631 PolarHBondContact O-N 2.7Å; Q629-F631 PolarHBondContact O-N 2.94Å; F631-Q635 PolarHBondContact O-N 3.4Å; F631-I636 HydrophobicContact CB-CG1 4.17Å; F631-I636 HydrophobicContact CD1-CG1 4.32Å; F631-I636 HydrophobicContact CD2-CB 3.65Å; F631-I636 HydrophobicContact CD2-CG1 3.61Å; F631-I636 HydrophobicContact CD2-CG2 3.97Å; F631-I636 HydrophobicContact CE2-CB 4Å; F631-I636 HydrophobicContact CE2-CG1 4.07Å; F631-I636 HydrophobicContact CE2-CG2 3.78Å; F631-I636 HydrophobicContact CG-CB 4.31Å; F631-I636 HydrophobicContact CG-CG1 3.77Å; F631-I636 PolarHBondContact O-N 3.41Å; F631-F641 HydrophobicContact CE2-CD2 4.24Å; F631-L697 HydrophobicContact CD1-CD2 3.75Å; F631-L697 HydrophobicContact CE1-CD2 3.59Å; F631-L697 HydrophobicContact CE1-CG 4.38Å; F631-L697 HydrophobicContact CZ-CD2 4.48Å
632	V	96	Very high	96.2	Very high	33 Å²	33	37.2 Å²	37.2	20%	0.2	18%	0.178	C	C	.	.	H	α-helix	trans	-73.7	-37.9	175.4	177.7	0	0	0	0	110.8	Y591 N595 S628 Q629 E630 Q635	Y591-V632 HydrophobicContact CD2-CG2 3.63Å; Y591-V632 HydrophobicContact CE2-CG2 4.11Å; N595-V632 WeakPolarHBondContact OD1-CG2 3.13Å; S628-V632 WeakPolarHBondContact O-CG2 3.46Å; Q629-V632 WeakPolarHBondContact O-CA 3.29Å; Q629-V632 WeakPolarHBondContact O-CB 3.28Å; Q629-V632 PolarHBondContact O-N 3.31Å; E630-V632 VanDerWaalsContact C-N 3.3Å; E630-V632 PolarHBondContact O-N 2.99Å; V632-Q635 PolarHBondContact O-NE2 2.96Å
633	L	95.3	Very high	96.3	Very high	97 Å²	97	36.3 Å²	36.3	51%	0.508	17%	0.173	S	C	.	.	H	α-helix	trans	-71.7	-40.8	-179.5	-68.2	170	0	0	0	112.4	M389 Q629 E630	M389-L633 HydrophobicContact CE-CD1 3.72Å; M389-L633 HydrophobicContact SD-CD1 4.18Å; Q629-L633 WeakPolarHBondContact O-CG 3.49Å; Q629-L633 PolarHBondContact O-N 3.36Å; E630-L633 PolarHBondContact O-N 3.23Å
634	L	94.3	Very high	96.4	Very high	24 Å²	24	33.5 Å²	33.5	13%	0.126	16%	0.162	C	C	.	.	H	α-helix	trans	-83.1	-12.5	179.8	-64.6	174.4	0	0	0	113.9	E630 I636 R690 Q693 L697	E630-L634 WeakPolarHBondContact O-CB 3.43Å; E630-L634 WeakPolarHBondContact O-CG 3.42Å; E630-L634 PolarHBondContact O-N 3.22Å; L634-I636 HydrophobicContact CB-CD1 3.68Å; L634-I636 HydrophobicContact CB-CG1 4.24Å; L634-I636 HydrophobicContact CD1-CD1 4.19Å; L634-R690 PolarHBondContact O-NH1 3.32Å; L634-Q693 HydrophobicContact CD1-CB 4.47Å; L634-Q693 HydrophobicContact CD2-CB 3.95Å; L634-Q693 HydrophobicContact CD2-CG 4.07Å; L634-L697 HydrophobicContact CD1-CD2 4.16Å
635	Q	95	Very high	96.4	Very high	112 Å²	112	33.4 Å²	33.4	52%	0.523	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	67.3	-173	-67.6	-67.3	-35.2	0	0	111.4	Y591 F631 V632 R690	Y591-Q635 PolarHBondContact OH-OE1 3.36Å; F631-Q635 PolarHBondContact O-N 3.4Å; V632-Q635 PolarHBondContact O-NE2 2.96Å; Q635-R690 PolarHBondContact O-NH2 3.29Å
636	I	95.9	Very high	96.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.155	C	C	.	.			trans	-68.4	129.4	-177.5	-54	-65.4	0	0	0	110.4	W588 Y591 F631 L634 E640 F641 L694 L697	W588-I636 HydrophobicContact CZ3-CB 4.48Å; W588-I636 HydrophobicContact CZ3-CG2 4.2Å; Y591-I636 HydrophobicContact CE1-CB 4.45Å; Y591-I636 WeakPolarHBondContact CE1-O 3.4Å; Y591-I636 PolarHBondContact OH-O 2.8Å; F631-I636 HydrophobicContact CB-CG1 4.17Å; F631-I636 HydrophobicContact CD1-CG1 4.32Å; F631-I636 HydrophobicContact CD2-CB 3.65Å; F631-I636 HydrophobicContact CD2-CG1 3.61Å; F631-I636 HydrophobicContact CD2-CG2 3.97Å; F631-I636 HydrophobicContact CE2-CB 4Å; F631-I636 HydrophobicContact CE2-CG1 4.07Å; F631-I636 HydrophobicContact CE2-CG2 3.78Å; F631-I636 HydrophobicContact CG-CB 4.31Å; F631-I636 HydrophobicContact CG-CG1 3.77Å; F631-I636 PolarHBondContact O-N 3.41Å; L634-I636 HydrophobicContact CB-CD1 3.68Å; L634-I636 HydrophobicContact CB-CG1 4.24Å; L634-I636 HydrophobicContact CD1-CD1 4.19Å; I636-E640 HydrophobicContact CG2-CB 4.16Å; I636-F641 HydrophobicContact CG2-CB 4.22Å; I636-L694 HydrophobicContact CD1-CD2 3.28Å; I636-L697 HydrophobicContact CD1-CD2 4.37Å
637	T	95.5	Very high	96.6	Very high	23 Å²	23	28 Å²	28	14%	0.141	14%	0.139	C	C	.	.			trans	-83.9	169.6	178.9	73.9	0	0	0	0	111.4	W588 E639 E640 F641	W588-T637 WeakPolarHBondContact CH2-O 3.15Å; W588-T637 WeakPolarHBondContact CZ3-O 3.34Å; T637-E639 VanDerWaalsContact CB-OE2 3.22Å; T637-E639 WeakPolarHBondContact CB-OE2 3.46Å; T637-E639 PolarHBondContact OG1-OE2 3.47Å; T637-E640 PolarHBondContact N-OE2 3.07Å; T637-E640 WeakPolarHBondContact OG1-CB 3.3Å; T637-E640 VanDerWaalsContact OG1-CD 3.27Å; T637-E640 WeakPolarHBondContact OG1-CG 3.35Å; T637-E640 PolarHBondContact OG1-N 2.96Å; T637-E640 PolarHBondContact OG1-OE2 3.31Å; T637-F641 WeakPolarHBondContact O-CB 3.49Å; T637-F641 PolarHBondContact O-N 2.93Å
638	Q	96.2	Very high	96.6	Very high	76 Å²	76	27.6 Å²	27.6	36%	0.355	14%	0.136	S	C	.	.	H	α-helix	trans	-74	-36.7	-177.7	-176.5	170.7	-52.3	0	0	110.8	E515 W588 F641 L642	E515-Q638 PolarHBondContact OE1-NE2 3.03Å; W588-Q638 VanDerWaalsContact CH2-CA 3.43Å; W588-Q638 HydrophobicContact CH2-CB 3.96Å; W588-Q638 HydrophobicContact CH2-CG 4.47Å; W588-Q638 HydrophobicContact CZ2-CB 3.92Å; W588-Q638 HydrophobicContact CZ2-CG 3.96Å; Q638-F641 PolarHBondContact O-N 3.33Å; Q638-L642 HydrophobicContact CG-CD1 4.15Å; Q638-L642 WeakPolarHBondContact O-CB 3.26Å; Q638-L642 WeakPolarHBondContact O-CG 3.48Å; Q638-L642 PolarHBondContact O-N 3.31Å
639	E	95	Very high	96.6	Very high	77 Å²	77	27.6 Å²	27.6	36%	0.36	14%	0.136	S	C	.	.	H	α-helix	trans	-62.9	-47.3	176.8	-56.1	78.7	-176.1	0	0	110.7	L511 T637 C643 L678	L511-E639 HydrophobicContact CD1-CB 4.16Å; L511-E639 HydrophobicContact CD1-CG 3.8Å; L511-E639 HydrophobicContact CD2-CB 3.79Å; L511-E639 HydrophobicContact CD2-CG 4.14Å; T637-E639 VanDerWaalsContact CB-OE2 3.22Å; T637-E639 WeakPolarHBondContact CB-OE2 3.46Å; T637-E639 PolarHBondContact OG1-OE2 3.47Å; E639-C643 PolarHBondContact O-N 2.91Å; E639-L678 HydrophobicContact CB-CD2 4.23Å
640	E	96.3	Very high	96.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.4	-51.5	171.8	-73.1	168.6	164.6	0	0	111.4	I636 T637 L642 C643 M644 R690 L694	I636-E640 HydrophobicContact CG2-CB 4.16Å; T637-E640 PolarHBondContact N-OE2 3.07Å; T637-E640 WeakPolarHBondContact OG1-CB 3.3Å; T637-E640 VanDerWaalsContact OG1-CD 3.27Å; T637-E640 WeakPolarHBondContact OG1-CG 3.35Å; T637-E640 PolarHBondContact OG1-N 2.96Å; T637-E640 PolarHBondContact OG1-OE2 3.31Å; E640-L642 VanDerWaalsContact C-N 3.34Å; E640-L642 PolarHBondContact O-N 3.44Å; E640-C643 PolarHBondContact O-N 2.88Å; E640-M644 HydrophobicContact CB-SD 4.42Å; E640-M644 WeakPolarHBondContact O-CB 3.27Å; E640-M644 WeakPolarHBondContact O-CG 3.5Å; E640-M644 PolarHBondContact O-N 3Å; E640-R690 IonicContact OE1-CZ 2.67Å; E640-R690 IonicContact OE1-NE 3.7Å; E640-R690 PolarHBondContact OE1-NE 3.19Å; E640-R690 IonicContact OE1-NH2 3.83Å; E640-R690 PolarHBondContact OE1-NH2 2.84Å; E640-R690 IonicContact OE2-CZ 2.65Å; E640-R690 IonicContact OE2-NE 2.75Å; E640-R690 IonicContact OE2-NH2 3.16Å; E640-R690 PolarHBondContact OE2-NH2 2.87Å; E640-L694 HydrophobicContact CB-CD1 4.16Å; E640-L694 HydrophobicContact CG-CD1 3.77Å
641	F	98	Very high	96.3	Very high	2 Å²	2	22 Å²	22	1%	0.009	11%	0.111	C	C	.	.	H	α-helix	trans	-55.2	-47.1	179.1	162.6	-103.3	0	0	0	112.2	F584 W588 F631 I636 T637 Q638 C643 M644 K645	F584-F641 AromaticContact CD1-CD2 3.79Å; F584-F641 HydrophobicContact CD1-CD2 3.79Å; F584-F641 AromaticContact CD1-CE2 3.57Å; F584-F641 HydrophobicContact CD1-CE2 3.57Å; F584-F641 AromaticContact CE1-CD2 3.44Å; F584-F641 HydrophobicContact CE1-CD2 3.44Å; F584-F641 VanDerWaalsContact CE1-CD2 3.44Å; F584-F641 AromaticContact CE1-CE2 3.75Å; F584-F641 HydrophobicContact CE1-CE2 3.75Å; F584-F641 HydrophobicContact CE1-CG 4.49Å; F584-F641 HydrophobicContact CZ-CD2 4.3Å; W588-F641 HydrophobicContact CB-CD2 3.65Å; W588-F641 HydrophobicContact CB-CE1 4.29Å; W588-F641 HydrophobicContact CB-CE2 3.31Å; W588-F641 HydrophobicContact CB-CG 4.28Å; W588-F641 HydrophobicContact CB-CZ 3.66Å; W588-F641 AromaticContact CD1-CD1 3.87Å; W588-F641 AromaticContact CD1-CE1 3.51Å; W588-F641 AromaticContact CD1-CZ 3.65Å; W588-F641 HydrophobicContact CD2-CB 4.02Å; W588-F641 AromaticContact CD2-CD1 3.67Å; W588-F641 HydrophobicContact CD2-CD1 3.67Å; W588-F641 AromaticContact CD2-CD2 3.8Å; W588-F641 HydrophobicContact CD2-CD2 3.8Å; W588-F641 HydrophobicContact CD2-CE1 4.09Å; W588-F641 HydrophobicContact CD2-CE2 4.21Å; W588-F641 AromaticContact CD2-CG 3.51Å; W588-F641 HydrophobicContact CD2-CG 3.51Å; W588-F641 HydrophobicContact CD2-CZ 4.33Å; W588-F641 AromaticContact CE2-CD1 3.61Å; W588-F641 AromaticContact CE2-CG 3.9Å; W588-F641 HydrophobicContact CE3-CB 3.65Å; W588-F641 HydrophobicContact CE3-CD1 4.22Å; W588-F641 AromaticContact CE3-CD2 3.9Å; W588-F641 HydrophobicContact CE3-CD2 3.9Å; W588-F641 AromaticContact CE3-CG 3.63Å; W588-F641 HydrophobicContact CE3-CG 3.63Å; W588-F641 AromaticContact CG-CD1 3.84Å; W588-F641 HydrophobicContact CG-CD1 3.84Å; W588-F641 AromaticContact CG-CD2 3.73Å; W588-F641 HydrophobicContact CG-CD2 3.73Å; W588-F641 AromaticContact CG-CE1 3.74Å; W588-F641 HydrophobicContact CG-CE1 3.74Å; W588-F641 AromaticContact CG-CE2 3.63Å; W588-F641 HydrophobicContact CG-CE2 3.63Å; W588-F641 AromaticContact CG-CG 3.83Å; W588-F641 HydrophobicContact CG-CG 3.83Å; W588-F641 AromaticContact CG-CZ 3.63Å; W588-F641 HydrophobicContact CG-CZ 3.63Å; W588-F641 HydrophobicContact CH2-CB 3.93Å; W588-F641 HydrophobicContact CH2-CG 4.38Å; W588-F641 HydrophobicContact CZ2-CB 4.31Å; W588-F641 HydrophobicContact CZ2-CD1 4.09Å; W588-F641 HydrophobicContact CZ2-CG 4.34Å; W588-F641 HydrophobicContact CZ3-CB 3.59Å; W588-F641 HydrophobicContact CZ3-CG 4.06Å; W588-F641 AromaticContact NE1-CD1 3.75Å; W588-F641 AromaticContact NE1-CE1 3.72Å; F631-F641 HydrophobicContact CE2-CD2 4.24Å; I636-F641 HydrophobicContact CG2-CB 4.22Å; T637-F641 WeakPolarHBondContact O-CB 3.49Å; T637-F641 PolarHBondContact O-N 2.93Å; Q638-F641 PolarHBondContact O-N 3.33Å; F641-C643 PolarHBondContact O-N 3.41Å; F641-M644 PolarHBondContact O-N 2.87Å; F641-K645 HydrophobicContact CE1-CD 4.3Å; F641-K645 HydrophobicContact CE2-CB 4.36Å; F641-K645 HydrophobicContact CE2-CD 4.43Å; F641-K645 HydrophobicContact CZ-CB 4.5Å; F641-K645 HydrophobicContact CZ-CD 3.85Å; F641-K645 WeakPolarHBondContact O-CB 3.24Å; F641-K645 PolarHBondContact O-N 3.3Å
642	L	97.8	Very high	95.8	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.042	11%	0.113	C	C	.	.	H	α-helix	trans	-61.4	-45.4	180	-74.7	170	0	0	0	111.8	L514 E515 E518 Q638 E640 A646	L514-L642 HydrophobicContact CB-CB 4.06Å; L514-L642 HydrophobicContact CB-CD1 4.25Å; L514-L642 HydrophobicContact CB-CD2 4.45Å; L514-L642 HydrophobicContact CB-CG 4.49Å; L514-L642 HydrophobicContact CD1-CB 4.07Å; E515-L642 HydrophobicContact CB-CD1 4.05Å; E518-L642 HydrophobicContact CB-CD2 4.38Å; E518-L642 HydrophobicContact CG-CD2 4.34Å; Q638-L642 HydrophobicContact CG-CD1 4.15Å; Q638-L642 WeakPolarHBondContact O-CB 3.26Å; Q638-L642 WeakPolarHBondContact O-CG 3.48Å; Q638-L642 PolarHBondContact O-N 3.31Å; E640-L642 VanDerWaalsContact C-N 3.34Å; E640-L642 PolarHBondContact O-N 3.44Å; L642-A646 PolarHBondContact O-N 3.44Å; L642-A646 VanDerWaalsContact O-N 3.14Å
643	C	97.3	Very high	95.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-68.8	-43.5	179	-166.2	0	0	0	0	112.1	E639 E640 F641 K645 A646 L647 L675 L678	E639-C643 PolarHBondContact O-N 2.91Å; E640-C643 PolarHBondContact O-N 2.88Å; F641-C643 PolarHBondContact O-N 3.41Å; C643-K645 PolarHBondContact O-N 2.99Å; C643-A646 PolarHBondContact O-N 3.5Å; C643-L647 PolarHBondContact O-N 3.14Å; C643-L675 HydrophobicContact CB-CD1 4.28Å; C643-L678 HydrophobicContact CB-CD1 3.71Å
644	M	98.1	Very high	95.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.5	-40.5	175.1	-75.4	177.7	79.6	0	0	112.7	F584 E640 F641 L647 L648 L675 L694 L697 L698	F584-M644 HydrophobicContact CE1-CB 3.75Å; F584-M644 HydrophobicContact CE2-CE 4.25Å; F584-M644 HydrophobicContact CZ-CB 3.54Å; F584-M644 HydrophobicContact CZ-CE 3.9Å; F584-M644 HydrophobicContact CZ-CG 4.46Å; F584-M644 HydrophobicContact CZ-SD 4.24Å; E640-M644 HydrophobicContact CB-SD 4.42Å; E640-M644 WeakPolarHBondContact O-CB 3.27Å; E640-M644 WeakPolarHBondContact O-CG 3.5Å; E640-M644 PolarHBondContact O-N 3Å; F641-M644 PolarHBondContact O-N 2.87Å; M644-L647 WeakPolarHBondContact O-CB 3.4Å; M644-L647 PolarHBondContact O-N 3.23Å; M644-L648 PolarHBondContact O-N 2.82Å; M644-L675 HydrophobicContact CG-CD1 4.08Å; M644-L675 HydrophobicContact CG-CD2 4.24Å; M644-L694 HydrophobicContact CE-CB 3.85Å; M644-L694 HydrophobicContact CE-CD2 4.3Å; M644-L694 WeakPolarHBondContact CE-O 3.43Å; M644-L694 HydrophobicContact SD-CB 3.9Å; M644-L694 HydrophobicContact SD-CD1 3.97Å; M644-L694 HydrophobicContact SD-CD2 3.91Å; M644-L694 HydrophobicContact SD-CG 4.14Å; M644-L697 HydrophobicContact CE-CB 4.41Å; M644-L697 HydrophobicContact CE-CD2 4.36Å; M644-L698 HydrophobicContact CB-CD2 4.09Å; M644-L698 HydrophobicContact CE-CD2 3.58Å; M644-L698 HydrophobicContact CE-CG 3.91Å; M644-L698 HydrophobicContact CG-CD2 4.45Å
645	K	98	Very high	95.2	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.009	11%	0.105	C	C	.	.	H	α-helix	trans	-63.1	-42.1	175.4	-176.7	-167.9	169	-171.2	0	111.2	E518 W555 V581 F584 F641 C643 L648	E518-K645 IonicContact OE1-NZ 2.77Å; E518-K645 PolarHBondContact OE1-NZ 2.92Å; E518-K645 IonicContact OE2-NZ 3.66Å; E518-K645 PolarHBondContact OE2-NZ 2.97Å; W555-K645 HydrophobicContact CH2-CD 4.26Å; W555-K645 HydrophobicContact CH2-CG 3.88Å; W555-K645 HydrophobicContact CZ2-CB 4.4Å; W555-K645 HydrophobicContact CZ2-CD 3.69Å; W555-K645 HydrophobicContact CZ2-CG 3.7Å; V581-K645 HydrophobicContact CG1-CG 4.21Å; F584-K645 HydrophobicContact CD1-CB 3.87Å; F584-K645 HydrophobicContact CD1-CG 4.34Å; F584-K645 HydrophobicContact CE1-CB 4.02Å; F641-K645 HydrophobicContact CE1-CD 4.3Å; F641-K645 HydrophobicContact CE2-CB 4.36Å; F641-K645 HydrophobicContact CE2-CD 4.43Å; F641-K645 HydrophobicContact CZ-CB 4.5Å; F641-K645 HydrophobicContact CZ-CD 3.85Å; F641-K645 WeakPolarHBondContact O-CB 3.24Å; F641-K645 PolarHBondContact O-N 3.3Å; C643-K645 PolarHBondContact O-N 2.99Å; K645-L648 PolarHBondContact O-N 3.21Å
646	A	97.7	Very high	94.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.6	-41.7	173.8	0	0	0	0	0	111.8	W555 L559 L642 C643 L648 L649 F650 Y671	W555-A646 HydrophobicContact CZ2-CB 4.46Å; L559-A646 HydrophobicContact CD1-CB 4.49Å; L559-A646 HydrophobicContact CD2-CB 3.88Å; L642-A646 PolarHBondContact O-N 3.44Å; L642-A646 VanDerWaalsContact O-N 3.14Å; C643-A646 PolarHBondContact O-N 3.5Å; A646-L648 VanDerWaalsContact C-N 3.27Å; A646-L648 PolarHBondContact O-N 3.45Å; A646-L649 WeakPolarHBondContact O-CB 3.45Å; A646-L649 PolarHBondContact O-N 2.91Å; A646-L649 VanDerWaalsContact O-N 3.16Å; A646-F650 WeakPolarHBondContact O-CD2 3.49Å; A646-F650 PolarHBondContact O-N 3.16Å; A646-Y671 HydrophobicContact CB-CD1 3.55Å; A646-Y671 HydrophobicContact CB-CE1 3.47Å; A646-Y671 VanDerWaalsContact CB-CE1 3.47Å
647	L	97.6	Very high	94.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.9	-34.9	174.4	-78.1	168.5	0	0	0	113.1	C643 M644 L649 F650 S651 I672 L675 L698 F753	C643-L647 PolarHBondContact O-N 3.14Å; M644-L647 WeakPolarHBondContact O-CB 3.4Å; M644-L647 PolarHBondContact O-N 3.23Å; L647-L649 PolarHBondContact O-N 3.31Å; L647-F650 CarbonylContact O-C 3.56Å; L647-F650 VanDerWaalsContact O-C 3.26Å; L647-F650 WeakPolarHBondContact O-CA 3.47Å; L647-F650 PolarHBondContact O-N 3.5Å; L647-F650 VanDerWaalsContact O-N 3.14Å; L647-S651 WeakPolarHBondContact O-CB 3.38Å; L647-S651 PolarHBondContact O-N 2.93Å; L647-S651 VanDerWaalsContact O-N 3.16Å; L647-S651 PolarHBondContact O-OG 2.97Å; L647-I672 HydrophobicContact CD2-CG1 3.61Å; L647-L675 HydrophobicContact CD1-CB 4.14Å; L647-L675 HydrophobicContact CD1-CD2 3.72Å; L647-L698 HydrophobicContact CB-CD1 4.13Å; L647-L698 HydrophobicContact CD1-CD1 4.38Å; L647-F753 HydrophobicContact CD1-CZ 4.36Å; L647-F753 HydrophobicContact CD2-CZ 4.44Å
648	L	96.9	Very high	94.6	Very high	5 Å²	5	22.8 Å²	22.8	3%	0.026	12%	0.122	C	C	.	.	H	α-helix	trans	-65.2	-35	176.5	-74.6	171.5	0	0	0	113.6	V581 F584 M644 K645 A646 F650 S651 L698 L701	V581-L648 HydrophobicContact CG2-CB 4.44Å; F584-L648 HydrophobicContact CB-CD1 3.49Å; F584-L648 VanDerWaalsContact CB-CD1 3.49Å; F584-L648 HydrophobicContact CD1-CD1 3.75Å; F584-L648 HydrophobicContact CD2-CD1 3.58Å; F584-L648 HydrophobicContact CE1-CD1 4.32Å; F584-L648 HydrophobicContact CE2-CD1 4.16Å; F584-L648 HydrophobicContact CG-CD1 3.34Å; M644-L648 PolarHBondContact O-N 2.82Å; K645-L648 PolarHBondContact O-N 3.21Å; A646-L648 VanDerWaalsContact C-N 3.27Å; A646-L648 PolarHBondContact O-N 3.45Å; L648-F650 VanDerWaalsContact C-N 3.27Å; L648-F650 PolarHBondContact O-N 3.11Å; L648-S651 PolarHBondContact O-N 3.41Å; L648-L698 HydrophobicContact CD1-CD2 4.05Å; L648-L698 HydrophobicContact CD2-CB 4.2Å; L648-L698 HydrophobicContact CD2-CD2 3.95Å; L648-L698 HydrophobicContact CG-CD2 3.86Å; L648-L701 HydrophobicContact CD1-CD2 3.42Å; L648-L701 VanDerWaalsContact CD1-CD2 3.42Å; L648-L701 HydrophobicContact CD2-CD2 3.75Å; L648-L701 HydrophobicContact CG-CD2 4.24Å
649	L	96.5	Very high	94.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.6	-44.7	171.1	-170.8	79.5	0	0	0	109.8	W555 A556 L559 F562 V573 I574 S577 V581 A646 L647 S651	W555-L649 HydrophobicContact CH2-CB 4.31Å; W555-L649 HydrophobicContact CZ3-CB 4.31Å; W555-L649 HydrophobicContact CZ3-CD1 4.18Å; W555-L649 HydrophobicContact CZ3-CD2 4.29Å; A556-L649 HydrophobicContact CB-CD1 4.34Å; A556-L649 HydrophobicContact CB-CD2 3.94Å; L559-L649 HydrophobicContact CD1-CD2 3.39Å; F562-L649 HydrophobicContact CD2-CD2 3.7Å; F562-L649 HydrophobicContact CE2-CD2 3.66Å; F562-L649 HydrophobicContact CE2-CG 4.45Å; V573-L649 HydrophobicContact CG1-CD1 4.3Å; V573-L649 HydrophobicContact CG1-CG 3.9Å; V573-L649 VanDerWaalsContact CG1-O 3.29Å; V573-L649 WeakPolarHBondContact CG1-O 3.39Å; I574-L649 HydrophobicContact CG1-CD1 4.19Å; S577-L649 WeakPolarHBondContact OG-CD1 3.41Å; V581-L649 HydrophobicContact CG2-CB 4.36Å; V581-L649 HydrophobicContact CG2-CD1 4.37Å; A646-L649 WeakPolarHBondContact O-CB 3.45Å; A646-L649 PolarHBondContact O-N 2.91Å; A646-L649 VanDerWaalsContact O-N 3.16Å; L647-L649 PolarHBondContact O-N 3.31Å; L649-S651 VanDerWaalsContact C-N 3.26Å; L649-S651 PolarHBondContact O-N 2.67Å
650	F	95.4	Very high	94.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	22.9	177.5	-52.4	-65	0	0	0	114.3	L559 F562 L565 A646 L647 L648 F664 L667 R668 Y671	L559-F650 HydrophobicContact CD1-CE2 4.38Å; L559-F650 HydrophobicContact CD1-CZ 4.39Å; F562-F650 AromaticContact CD2-CE1 3.87Å; F562-F650 HydrophobicContact CD2-CE1 3.87Å; F562-F650 HydrophobicContact CD2-CZ 4.03Å; L565-F650 HydrophobicContact CD1-CE1 4.39Å; A646-F650 WeakPolarHBondContact O-CD2 3.49Å; A646-F650 PolarHBondContact O-N 3.16Å; L647-F650 CarbonylContact O-C 3.56Å; L647-F650 VanDerWaalsContact O-C 3.26Å; L647-F650 WeakPolarHBondContact O-CA 3.47Å; L647-F650 PolarHBondContact O-N 3.5Å; L647-F650 VanDerWaalsContact O-N 3.14Å; L648-F650 VanDerWaalsContact C-N 3.27Å; L648-F650 PolarHBondContact O-N 3.11Å; F650-F664 HydrophobicContact CB-CE2 4.26Å; F650-F664 HydrophobicContact CB-CZ 4.13Å; F650-F664 HydrophobicContact CD1-CD2 4.15Å; F650-F664 AromaticContact CD1-CE2 3.83Å; F650-F664 HydrophobicContact CD1-CE2 3.83Å; F650-F664 WeakPolarHBondContact O-CZ 3.25Å; F650-L667 HydrophobicContact CD1-CD2 4.3Å; F650-L667 HydrophobicContact CE1-CD2 3.46Å; F650-L667 VanDerWaalsContact CE1-CD2 3.46Å; F650-L667 HydrophobicContact CE1-CG 4.05Å; F650-L667 HydrophobicContact CE2-CG 4.46Å; F650-L667 HydrophobicContact CZ-CD2 3.62Å; F650-L667 HydrophobicContact CZ-CG 3.98Å; F650-R668 HydrophobicContact CB-CB 4.13Å; F650-R668 HydrophobicContact CB-CG 4.27Å; F650-R668 WeakPolarHBondContact O-CD 3.45Å; F650-R668 PolarHBondContact O-NH1 3.01Å; F650-Y671 AromaticContact CD2-CD2 3.96Å; F650-Y671 HydrophobicContact CD2-CD2 3.96Å; F650-Y671 HydrophobicContact CD2-CE2 4.26Å; F650-Y671 HydrophobicContact CD2-CG 4.35Å; F650-Y671 AromaticContact CE2-CD2 3.65Å; F650-Y671 HydrophobicContact CE2-CD2 3.65Å; F650-Y671 HydrophobicContact CE2-CE1 4.48Å; F650-Y671 AromaticContact CE2-CE2 3.48Å; F650-Y671 HydrophobicContact CE2-CE2 3.48Å; F650-Y671 VanDerWaalsContact CE2-CE2 3.48Å; F650-Y671 HydrophobicContact CE2-CG 4.27Å; F650-Y671 AromaticContact CE2-CZ 3.95Å; F650-Y671 HydrophobicContact CZ-CE2 4.09Å
651	S	90.7	Very high	94.4	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.014	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	5.3	-176	-68.8	0	0	0	0	115.9	L647 L648 L649 R668 P750 I751	L647-S651 WeakPolarHBondContact O-CB 3.38Å; L647-S651 PolarHBondContact O-N 2.93Å; L647-S651 VanDerWaalsContact O-N 3.16Å; L647-S651 PolarHBondContact O-OG 2.97Å; L648-S651 PolarHBondContact O-N 3.41Å; L649-S651 VanDerWaalsContact C-N 3.26Å; L649-S651 PolarHBondContact O-N 2.67Å; S651-R668 PolarHBondContact OG-NH1 3.35Å; S651-P750 CarbonylContact O-C 3.58Å; S651-P750 VanDerWaalsContact O-CA 3.3Å; S651-P750 WeakPolarHBondContact O-CA 3.4Å; S651-I751 PolarHBondContact O-N 2.94Å
652	I	88.4	Confident	94.3	Very high	11 Å²	11	33.5 Å²	33.5	6%	0.056	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.8	173.4	-53.9	-179.9	0	0	0	108.8	Q576 A748	Q576-I652 HydrophobicContact CB-CB 4.34Å; Q576-I652 HydrophobicContact CB-CG2 3.92Å; Q576-I652 WeakPolarHBondContact O-CD1 3.37Å; I652-A748 HydrophobicContact CG2-CB 3.92Å
653	I	90.9	Very high	94.2	Very high	35 Å²	35	36.5 Å²	36.5	18%	0.179	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	151.4	177	53.1	169.8	0	0	0	111.6	L658 F664 A748 K749 I751	I653-L658 HydrophobicContact CG2-CD1 4.08Å; I653-L658 HydrophobicContact CG2-CG 4.46Å; I653-F664 HydrophobicContact CG2-CD1 4.12Å; I653-F664 HydrophobicContact CG2-CE1 3.43Å; I653-F664 VanDerWaalsContact CG2-CE1 3.43Å; I653-F664 HydrophobicContact CG2-CE2 4.32Å; I653-F664 HydrophobicContact CG2-CZ 3.53Å; I653-A748 CarbonylContact O-C 3.26Å; I653-A748 VanDerWaalsContact O-CA 3.31Å; I653-A748 WeakPolarHBondContact O-CA 3.4Å; I653-K749 PolarHBondContact N-O 2.88Å; I653-K749 VanDerWaalsContact N-O 3.13Å; I653-K749 PolarHBondContact O-N 3.21Å; I653-I751 HydrophobicContact CD1-CD1 4.02Å; I653-I751 HydrophobicContact CD1-CG1 4.21Å; I653-I751 HydrophobicContact CG1-CD1 4.07Å; I653-I751 HydrophobicContact CG1-CG1 4.03Å; I653-I751 HydrophobicContact CG2-CD1 3.92Å
654	P	91.6	Very high	94.1	Very high	14 Å²	14	36.5 Å²	36.5	9%	0.091	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	154.2	166.5	27.7	-34.9	0	0	0	111.6	T572 E656 G657 L658 L747	T572-P654 HydrophobicContact CG2-CG 4.27Å; P654-E656 VanDerWaalsContact C-N 3.25Å; P654-E656 WeakPolarHBondContact CB-OE2 3.43Å; P654-E656 PolarHBondContact O-N 3.32Å; P654-G657 WeakPolarHBondContact CG-O 3.36Å; P654-G657 PolarHBondContact O-N 3.12Å; P654-L658 HydrophobicContact CG-CD2 3.81Å; P654-L658 HydrophobicContact CG-CG 4.3Å; P654-L747 CarbonylContact C-O 3.53Å; P654-L747 WeakPolarHBondContact CA-O 3.46Å
655	V	90	Very high	94	Very high	65 Å²	65	40 Å²	40	39%	0.394	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-29.3	176.8	171.1	0	0	0	0	112.1	G657 G746 L747 K749	V655-G657 PolarHBondContact O-N 3.31Å; V655-G746 WeakPolarHBondContact CG2-O 3.4Å; V655-L747 PolarHBondContact N-O 3.37Å; V655-K749 HydrophobicContact CG2-CD 3.73Å; V655-K749 VanDerWaalsContact CG2-CE 3.41Å; V655-K749 HydrophobicContact CG2-CG 3.86Å
656	E	89.2	Confident	93.9	Very high	136 Å²	136	45.5 Å²	45.5	64%	0.636	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-13.4	177.2	-56.7	71.9	-157.3	0	0	112.3	P654	P654-E656 VanDerWaalsContact C-N 3.25Å; P654-E656 WeakPolarHBondContact CB-OE2 3.43Å; P654-E656 PolarHBondContact O-N 3.32Å
657	G	92.1	Very high	93.8	Very high	31 Å²	31	46 Å²	46	32%	0.32	23%	0.229	S	C	.	.			trans	81.3	164.8	-173.5	0	0	0	0	0	113.6	P654 V655	P654-G657 WeakPolarHBondContact CG-O 3.36Å; P654-G657 PolarHBondContact O-N 3.12Å; V655-G657 PolarHBondContact O-N 3.31Å
658	L	93.4	Very high	93.7	Very high	14 Å²	14	47 Å²	47	7%	0.073	23%	0.232	C	C	.	.			trans	-88.7	150.5	174.7	-64.7	173.7	0	0	0	111	D569 T572 V573 I653 P654 S660 Q661 F664	D569-L658 HydrophobicContact CB-CB 4.49Å; D569-L658 HydrophobicContact CB-CD2 4.1Å; T572-L658 HydrophobicContact CG2-CD2 4.24Å; V573-L658 HydrophobicContact CG2-CD1 3.89Å; V573-L658 HydrophobicContact CG2-CD2 4.24Å; I653-L658 HydrophobicContact CG2-CD1 4.08Å; I653-L658 HydrophobicContact CG2-CG 4.46Å; P654-L658 HydrophobicContact CG-CD2 3.81Å; P654-L658 HydrophobicContact CG-CG 4.3Å; L658-S660 PolarHBondContact O-N 2.88Å; L658-Q661 WeakPolarHBondContact O-CB 3.39Å; L658-Q661 PolarHBondContact O-N 3.48Å; L658-Q661 VanDerWaalsContact O-N 3.11Å; L658-F664 HydrophobicContact CD1-CB 3.85Å; L658-F664 HydrophobicContact CD1-CD1 4.1Å; L658-F664 HydrophobicContact CD1-CD2 3.32Å; L658-F664 HydrophobicContact CD1-CE1 4.5Å; L658-F664 HydrophobicContact CD1-CE2 3.78Å; L658-F664 HydrophobicContact CD1-CG 3.49Å; L658-F664 VanDerWaalsContact CD1-CG 3.49Å; L658-F664 HydrophobicContact CD1-CZ 4.35Å
659	K	94.1	Very high	93.6	Very high	138 Å²	138	50.7 Å²	50.7	60%	0.6	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.3	175.3	-67.7	179.4	167.5	-175.1	0	111.6	H566 D568 D569	H566-K659 HydrophobicContact CB-CB 4.25Å; H566-K659 PolarHBondContact CE1-NZ 3.28Å; H566-K659 PolarHBondContact NE2-NZ 3.2Å; D568-K659 WeakPolarHBondContact OD2-CE 3.49Å; D568-K659 IonicContact OD2-NZ 3.46Å; D568-K659 PolarHBondContact OD2-NZ 3.39Å; D569-K659 PolarHBondContact OD1-N 3.42Å; D569-K659 PolarHBondContact OD2-N 3.04Å
660	S	93.6	Very high	93.5	Very high	27 Å²	27	53.2 Å²	53.2	19%	0.189	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	24.5	-179.2	-37.6	0	0	0	0	113	H566 D569 L658 K662 Y663 F664	H566-S660 VanDerWaalsContact CB-OG 3.32Å; H566-S660 WeakPolarHBondContact CB-OG 3.16Å; H566-S660 PolarHBondContact N-OG 3.38Å; D569-S660 WeakPolarHBondContact OD2-CA 3.26Å; D569-S660 WeakPolarHBondContact OD2-CB 3.23Å; D569-S660 PolarHBondContact OD2-N 3.11Å; D569-S660 PolarHBondContact OD2-OG 3.39Å; L658-S660 PolarHBondContact O-N 2.88Å; S660-K662 VanDerWaalsContact C-N 3.32Å; S660-K662 PolarHBondContact O-N 3.47Å; S660-Y663 WeakPolarHBondContact O-CA 3.45Å; S660-Y663 WeakPolarHBondContact O-CB 3.48Å; S660-Y663 PolarHBondContact O-N 3.43Å; S660-F664 PolarHBondContact O-N 2.61Å
661	Q	95.2	Very high	93.5	Very high	44 Å²	44	53.3 Å²	53.3	21%	0.206	27%	0.268	C	S	.	.	H	α-helix	trans	-43.3	-49.6	-166.4	-170.5	62.2	53.1	0	0	114.5	L658 Y663 F664 D665	L658-Q661 WeakPolarHBondContact O-CB 3.39Å; L658-Q661 PolarHBondContact O-N 3.48Å; L658-Q661 VanDerWaalsContact O-N 3.11Å; Q661-Y663 VanDerWaalsContact C-N 3.31Å; Q661-Y663 PolarHBondContact O-N 3.02Å; Q661-F664 WeakPolarHBondContact O-CB 3.28Å; Q661-F664 PolarHBondContact O-N 3.11Å; Q661-F664 VanDerWaalsContact O-N 3.09Å; Q661-D665 PolarHBondContact NE2-OD1 3.01Å; Q661-D665 PolarHBondContact O-N 3.06Å
662	K	95.3	Very high	93.8	Very high	171 Å²	171	55 Å²	55	74%	0.743	28%	0.276	S	S	*	.	H	α-helix	trans	-56.4	-42.8	178.5	-64.4	-176.6	-179.4	-179.2	0	113	S660 D665 E666	S660-K662 VanDerWaalsContact C-N 3.32Å; S660-K662 PolarHBondContact O-N 3.47Å; K662-D665 PolarHBondContact O-N 3.39Å; K662-E666 WeakPolarHBondContact O-CB 3.43Å; K662-E666 WeakPolarHBondContact O-CG 3.48Å; K662-E666 PolarHBondContact O-N 3.47Å
663	Y	95.6	Very high	94.1	Very high	71 Å²	71	60.4 Å²	60.4	28%	0.278	30%	0.3	S	S	.	.	H	α-helix	trans	-71.6	-34.5	178.2	-174.2	-108.1	0	0	0	111.9	G561 N564 L565 S660 Q661 L667	G561-Y663 WeakPolarHBondContact CA-OH 3.3Å; G561-Y663 PolarHBondContact O-OH 3.49Å; N564-Y663 HydrophobicContact CB-CD1 4.49Å; N564-Y663 HydrophobicContact CB-CE1 3.59Å; N564-Y663 PolarHBondContact ND2-OH 2.89Å; L565-Y663 HydrophobicContact CD2-CD1 3.87Å; L565-Y663 HydrophobicContact CG-CD1 4.15Å; L565-Y663 HydrophobicContact CG-CE1 4.38Å; S660-Y663 WeakPolarHBondContact O-CA 3.45Å; S660-Y663 WeakPolarHBondContact O-CB 3.48Å; S660-Y663 PolarHBondContact O-N 3.43Å; Q661-Y663 VanDerWaalsContact C-N 3.31Å; Q661-Y663 PolarHBondContact O-N 3.02Å; Y663-L667 HydrophobicContact CE1-CD2 4.34Å; Y663-L667 WeakPolarHBondContact O-CB 3.35Å; Y663-L667 PolarHBondContact O-N 2.9Å
664	F	96.1	Very high	94.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-42.4	170.7	176.3	-84.8	0	0	0	111.6	L565 V573 F650 I653 L658 S660 Q661 L667 R668 I751	L565-F664 HydrophobicContact CD2-CB 3.92Å; L565-F664 HydrophobicContact CD2-CD2 4.48Å; V573-F664 HydrophobicContact CG1-CE2 4.38Å; V573-F664 HydrophobicContact CG2-CD2 4.11Å; V573-F664 HydrophobicContact CG2-CE2 3.73Å; F650-F664 HydrophobicContact CB-CE2 4.26Å; F650-F664 HydrophobicContact CB-CZ 4.13Å; F650-F664 HydrophobicContact CD1-CD2 4.15Å; F650-F664 AromaticContact CD1-CE2 3.83Å; F650-F664 HydrophobicContact CD1-CE2 3.83Å; F650-F664 WeakPolarHBondContact O-CZ 3.25Å; I653-F664 HydrophobicContact CG2-CD1 4.12Å; I653-F664 HydrophobicContact CG2-CE1 3.43Å; I653-F664 VanDerWaalsContact CG2-CE1 3.43Å; I653-F664 HydrophobicContact CG2-CE2 4.32Å; I653-F664 HydrophobicContact CG2-CZ 3.53Å; L658-F664 HydrophobicContact CD1-CB 3.85Å; L658-F664 HydrophobicContact CD1-CD1 4.1Å; L658-F664 HydrophobicContact CD1-CD2 3.32Å; L658-F664 HydrophobicContact CD1-CE1 4.5Å; L658-F664 HydrophobicContact CD1-CE2 3.78Å; L658-F664 HydrophobicContact CD1-CG 3.49Å; L658-F664 VanDerWaalsContact CD1-CG 3.49Å; L658-F664 HydrophobicContact CD1-CZ 4.35Å; S660-F664 PolarHBondContact O-N 2.61Å; Q661-F664 WeakPolarHBondContact O-CB 3.28Å; Q661-F664 PolarHBondContact O-N 3.11Å; Q661-F664 VanDerWaalsContact O-N 3.09Å; F664-L667 PolarHBondContact O-N 2.91Å; F664-R668 WeakPolarHBondContact O-CB 3.24Å; F664-R668 PolarHBondContact O-N 3.13Å; F664-I751 HydrophobicContact CE1-CD1 3.81Å; F664-I751 HydrophobicContact CZ-CD1 4.43Å
665	D	95.4	Very high	94.3	Very high	74 Å²	74	58.9 Å²	58.9	40%	0.396	29%	0.291	S	S	.	.	H	α-helix	trans	-67.3	-43.5	178.9	-60.3	-31	0	0	0	111.5	Q661 K662 L667 R668 L669	Q661-D665 PolarHBondContact NE2-OD1 3.01Å; Q661-D665 PolarHBondContact O-N 3.06Å; K662-D665 PolarHBondContact O-N 3.39Å; D665-L667 VanDerWaalsContact C-N 3.34Å; D665-L667 PolarHBondContact O-N 3.1Å; D665-R668 PolarHBondContact O-N 3.27Å; D665-L669 VanDerWaalsContact O-CB 3.26Å; D665-L669 WeakPolarHBondContact O-CB 3.41Å; D665-L669 PolarHBondContact O-N 3.06Å
666	E	96.2	Very high	94.5	Very high	118 Å²	118	59.1 Å²	59.1	55%	0.551	29%	0.289	S	S	*	.	H	α-helix	trans	-60.4	-41.1	171.9	-75.4	171.4	-167.8	0	0	112.3	K662 T670	K662-E666 WeakPolarHBondContact O-CB 3.43Å; K662-E666 WeakPolarHBondContact O-CG 3.48Å; K662-E666 PolarHBondContact O-N 3.47Å; E666-T670 PolarHBondContact O-N 3.33Å; E666-T670 PolarHBondContact O-OG1 2.88Å
667	L	94.9	Very high	94.6	Very high	11 Å²	11	56.2 Å²	56.2	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-67	-50.7	177.9	-171.6	59.9	0	0	0	110.7	L565 F650 Y663 F664 D665 L669 T670 Y671	L565-L667 HydrophobicContact CD1-CD2 4.24Å; F650-L667 HydrophobicContact CD1-CD2 4.3Å; F650-L667 HydrophobicContact CE1-CD2 3.46Å; F650-L667 VanDerWaalsContact CE1-CD2 3.46Å; F650-L667 HydrophobicContact CE1-CG 4.05Å; F650-L667 HydrophobicContact CE2-CG 4.46Å; F650-L667 HydrophobicContact CZ-CD2 3.62Å; F650-L667 HydrophobicContact CZ-CG 3.98Å; Y663-L667 HydrophobicContact CE1-CD2 4.34Å; Y663-L667 WeakPolarHBondContact O-CB 3.35Å; Y663-L667 PolarHBondContact O-N 2.9Å; F664-L667 PolarHBondContact O-N 2.91Å; D665-L667 VanDerWaalsContact C-N 3.34Å; D665-L667 PolarHBondContact O-N 3.1Å; L667-L669 VanDerWaalsContact C-N 3.31Å; L667-L669 PolarHBondContact O-N 3.09Å; L667-T670 WeakPolarHBondContact O-CA 3.36Å; L667-T670 VanDerWaalsContact O-CB 3.31Å; L667-T670 WeakPolarHBondContact O-CB 3.46Å; L667-T670 PolarHBondContact O-N 3.45Å; L667-Y671 HydrophobicContact CD1-CD2 4.29Å; L667-Y671 HydrophobicContact CD1-CE2 3.78Å; L667-Y671 HydrophobicContact CG-CD2 4.38Å; L667-Y671 HydrophobicContact CG-CE2 4.13Å; L667-Y671 WeakPolarHBondContact O-CD2 3.3Å; L667-Y671 PolarHBondContact O-N 3.48Å; L667-Y671 VanDerWaalsContact O-N 3.13Å
668	R	95.9	Very high	94.5	Very high	19 Å²	19	55.2 Å²	55.2	7%	0.072	26%	0.26	C	S	.	.	H	α-helix	trans	-54	-48	173.6	-178.2	-175.8	167.8	85.8	-2.1	110.9	F650 S651 F664 D665 T670 Y671 I672 I751	F650-R668 HydrophobicContact CB-CB 4.13Å; F650-R668 HydrophobicContact CB-CG 4.27Å; F650-R668 WeakPolarHBondContact O-CD 3.45Å; F650-R668 PolarHBondContact O-NH1 3.01Å; S651-R668 PolarHBondContact OG-NH1 3.35Å; F664-R668 WeakPolarHBondContact O-CB 3.24Å; F664-R668 PolarHBondContact O-N 3.13Å; D665-R668 PolarHBondContact O-N 3.27Å; R668-T670 PolarHBondContact O-N 2.98Å; R668-Y671 PolarHBondContact O-N 2.95Å; R668-I672 HydrophobicContact CG-CD1 4.03Å; R668-I672 WeakPolarHBondContact O-CG1 3.29Å; R668-I672 PolarHBondContact O-N 2.94Å; R668-I751 PolarHBondContact NH2-O 2.94Å
669	L	95.8	Very high	94.4	Very high	84 Å²	84	54.6 Å²	54.6	44%	0.44	26%	0.257	S	S	.	.	H	α-helix	trans	-61.5	-32.4	178.4	-179.4	60.5	0	0	0	112.5	D665 L667 I672 K673	D665-L669 VanDerWaalsContact O-CB 3.26Å; D665-L669 WeakPolarHBondContact O-CB 3.41Å; D665-L669 PolarHBondContact O-N 3.06Å; L667-L669 VanDerWaalsContact C-N 3.31Å; L667-L669 PolarHBondContact O-N 3.09Å; L669-I672 PolarHBondContact O-N 3.5Å; L669-K673 HydrophobicContact CG-CD 4.36Å; L669-K673 VanDerWaalsContact O-CG 3.32Å; L669-K673 WeakPolarHBondContact O-CG 3.16Å; L669-K673 PolarHBondContact O-N 3.1Å
670	T	94.5	Very high	94.2	Very high	53 Å²	53	51.7 Å²	51.7	33%	0.325	25%	0.248	S	C	.	.	H	α-helix	trans	-65.2	-49.5	173.8	-58	0	0	0	0	111.2	L504 E666 L667 R668 I672 K673 E674	L504-T670 HydrophobicContact CD1-CG2 4.25Å; E666-T670 PolarHBondContact O-N 3.33Å; E666-T670 PolarHBondContact O-OG1 2.88Å; L667-T670 WeakPolarHBondContact O-CA 3.36Å; L667-T670 VanDerWaalsContact O-CB 3.31Å; L667-T670 WeakPolarHBondContact O-CB 3.46Å; L667-T670 PolarHBondContact O-N 3.45Å; R668-T670 PolarHBondContact O-N 2.98Å; T670-I672 VanDerWaalsContact C-N 3.28Å; T670-I672 PolarHBondContact O-N 3.25Å; T670-K673 PolarHBondContact O-N 3.07Å; T670-E674 PolarHBondContact O-N 3.41Å
671	Y	95.8	Very high	93.7	Very high	1 Å²	1	59.4 Å²	59.4	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-31.5	175.9	-77	-93.1	0	0	0	112.8	F510 L514 L559 P560 A646 F650 L667 R668 E674 L675	F510-Y671 HydrophobicContact CE2-CD1 4.14Å; F510-Y671 AromaticContact CE2-CE1 3.64Å; F510-Y671 HydrophobicContact CE2-CE1 3.64Å; F510-Y671 AromaticContact CZ-CD1 3.64Å; F510-Y671 HydrophobicContact CZ-CD1 3.64Å; F510-Y671 AromaticContact CZ-CE1 3.53Å; F510-Y671 HydrophobicContact CZ-CE1 3.53Å; L514-Y671 HydrophobicContact CD2-CE1 4.39Å; L559-Y671 HydrophobicContact CD2-CE1 4.37Å; P560-Y671 VanDerWaalsContact CD-OH 3.31Å; P560-Y671 WeakPolarHBondContact CD-OH 3.2Å; P560-Y671 PolarHBondContact O-OH 3.03Å; A646-Y671 HydrophobicContact CB-CD1 3.55Å; A646-Y671 HydrophobicContact CB-CE1 3.47Å; A646-Y671 VanDerWaalsContact CB-CE1 3.47Å; F650-Y671 AromaticContact CD2-CD2 3.96Å; F650-Y671 HydrophobicContact CD2-CD2 3.96Å; F650-Y671 HydrophobicContact CD2-CE2 4.26Å; F650-Y671 HydrophobicContact CD2-CG 4.35Å; F650-Y671 AromaticContact CE2-CD2 3.65Å; F650-Y671 HydrophobicContact CE2-CD2 3.65Å; F650-Y671 HydrophobicContact CE2-CE1 4.48Å; F650-Y671 AromaticContact CE2-CE2 3.48Å; F650-Y671 HydrophobicContact CE2-CE2 3.48Å; F650-Y671 VanDerWaalsContact CE2-CE2 3.48Å; F650-Y671 HydrophobicContact CE2-CG 4.27Å; F650-Y671 AromaticContact CE2-CZ 3.95Å; F650-Y671 HydrophobicContact CZ-CE2 4.09Å; L667-Y671 HydrophobicContact CD1-CD2 4.29Å; L667-Y671 HydrophobicContact CD1-CE2 3.78Å; L667-Y671 HydrophobicContact CG-CD2 4.38Å; L667-Y671 HydrophobicContact CG-CE2 4.13Å; L667-Y671 WeakPolarHBondContact O-CD2 3.3Å; L667-Y671 PolarHBondContact O-N 3.48Å; L667-Y671 VanDerWaalsContact O-N 3.13Å; R668-Y671 PolarHBondContact O-N 2.95Å; Y671-E674 PolarHBondContact O-N 3.06Å; Y671-L675 PolarHBondContact O-N 2.77Å
672	I	96.1	Very high	93	Very high	37 Å²	37	62.1 Å²	62.1	19%	0.19	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-45.2	173.9	-70.7	176.1	0	0	0	111	L647 R668 L669 T670 E674 L675 D676 F691 F753	L647-I672 HydrophobicContact CD2-CG1 3.61Å; R668-I672 HydrophobicContact CG-CD1 4.03Å; R668-I672 WeakPolarHBondContact O-CG1 3.29Å; R668-I672 PolarHBondContact O-N 2.94Å; L669-I672 PolarHBondContact O-N 3.5Å; T670-I672 VanDerWaalsContact C-N 3.28Å; T670-I672 PolarHBondContact O-N 3.25Å; I672-E674 VanDerWaalsContact C-N 3.32Å; I672-E674 PolarHBondContact O-N 3.16Å; I672-L675 PolarHBondContact O-N 2.84Å; I672-D676 PolarHBondContact O-N 3.06Å; I672-D676 VanDerWaalsContact O-N 3.11Å; I672-F691 HydrophobicContact CG2-CE2 4.42Å; I672-F691 HydrophobicContact CG2-CZ 4.05Å; I672-F753 HydrophobicContact CD1-CE1 3.8Å; I672-F753 HydrophobicContact CD1-CZ 4.44Å; I672-F753 HydrophobicContact CG1-CE1 3.93Å; I672-F753 HydrophobicContact CG1-CZ 4.42Å
673	K	94.1	Very high	92.2	Very high	126 Å²	126	57 Å²	57	55%	0.548	27%	0.266	S	S	.	.	H	α-helix	trans	-64.5	-35.5	176.4	-72.4	166.8	179	172.5	0	112.3	L669 T670 R677	L669-K673 HydrophobicContact CG-CD 4.36Å; L669-K673 VanDerWaalsContact O-CG 3.32Å; L669-K673 WeakPolarHBondContact O-CG 3.16Å; L669-K673 PolarHBondContact O-N 3.1Å; T670-K673 PolarHBondContact O-N 3.07Å; K673-R677 VanDerWaalsContact O-CB 3.32Å; K673-R677 WeakPolarHBondContact O-CB 3.28Å; K673-R677 PolarHBondContact O-N 3.29Å
674	E	93.3	Very high	90.8	Very high	17 Å²	17	60.4 Å²	60.4	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-68.3	-38.7	174.2	-68.7	-59.2	161.5	0	0	112.5	F510 T670 Y671 I672 R677 L678	F510-E674 HydrophobicContact CD1-CB 4.12Å; F510-E674 HydrophobicContact CD1-CG 4.03Å; F510-E674 HydrophobicContact CE1-CB 3.57Å; F510-E674 HydrophobicContact CE1-CG 3.79Å; F510-E674 HydrophobicContact CE2-CG 4.33Å; F510-E674 HydrophobicContact CG-CG 4.39Å; F510-E674 HydrophobicContact CZ-CB 3.94Å; F510-E674 HydrophobicContact CZ-CG 3.93Å; T670-E674 PolarHBondContact O-N 3.41Å; Y671-E674 PolarHBondContact O-N 3.06Å; I672-E674 VanDerWaalsContact C-N 3.32Å; I672-E674 PolarHBondContact O-N 3.16Å; E674-R677 PolarHBondContact O-N 2.76Å; E674-R677 IonicContact OE1-CZ 3.21Å; E674-R677 IonicContact OE1-NE 2.82Å; E674-R677 IonicContact OE1-NH2 2.79Å; E674-R677 PolarHBondContact OE1-NH2 3.01Å; E674-R677 IonicContact OE2-CZ 2.66Å; E674-R677 IonicContact OE2-NE 2.76Å; E674-R677 PolarHBondContact OE2-NE 2.74Å; E674-R677 IonicContact OE2-NH2 3.52Å; E674-R677 PolarHBondContact OE2-NH2 2.85Å; E674-L678 VanDerWaalsContact O-CG 3.22Å; E674-L678 WeakPolarHBondContact O-CG 3.34Å; E674-L678 PolarHBondContact O-N 2.97Å
675	L	94.7	Very high	89.6	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-45.2	174.2	-175.9	62.9	0	0	0	111.7	C643 M644 L647 Y671 I672 L678 I679 F691 L694 T695	C643-L675 HydrophobicContact CB-CD1 4.28Å; M644-L675 HydrophobicContact CG-CD1 4.08Å; M644-L675 HydrophobicContact CG-CD2 4.24Å; L647-L675 HydrophobicContact CD1-CB 4.14Å; L647-L675 HydrophobicContact CD1-CD2 3.72Å; Y671-L675 PolarHBondContact O-N 2.77Å; I672-L675 PolarHBondContact O-N 2.84Å; L675-L678 PolarHBondContact O-N 3.37Å; L675-I679 HydrophobicContact CG-CD1 4.36Å; L675-I679 WeakPolarHBondContact O-CG1 3.43Å; L675-I679 PolarHBondContact O-N 2.99Å; L675-I679 VanDerWaalsContact O-N 3.16Å; L675-F691 HydrophobicContact CB-CE2 4.44Å; L675-F691 HydrophobicContact CD2-CD2 4.46Å; L675-F691 HydrophobicContact CD2-CE2 4.18Å; L675-F691 HydrophobicContact CG-CD2 4.42Å; L675-F691 HydrophobicContact CG-CE2 4.33Å; L675-L694 HydrophobicContact CD1-CD1 3.96Å; L675-T695 HydrophobicContact CD2-CG2 4.23Å
676	D	93.3	Very high	88.9	Confident	69 Å²	69	66.9 Å²	66.9	37%	0.369	33%	0.333	S	S	.	.	H	α-helix	trans	-61.5	-43.6	174	177.8	67.1	0	0	0	111.7	I672 L678 I679 N680 F691	I672-D676 PolarHBondContact O-N 3.06Å; I672-D676 VanDerWaalsContact O-N 3.11Å; D676-L678 VanDerWaalsContact C-N 3.29Å; D676-L678 PolarHBondContact O-N 2.94Å; D676-I679 PolarHBondContact O-N 2.89Å; D676-N680 WeakPolarHBondContact O-CB 3.45Å; D676-N680 PolarHBondContact O-N 3.21Å; D676-N680 PolarHBondContact O-ND2 3.36Å; D676-N680 PolarHBondContact OD1-ND2 3.42Å; D676-N680 PolarHBondContact OD2-ND2 2.88Å; D676-F691 HydrophobicContact CB-CD2 4.13Å; D676-F691 HydrophobicContact CB-CE2 4.14Å
677	R	91.3	Very high	88.3	Confident	75 Å²	75	61.9 Å²	61.9	28%	0.283	31%	0.31	S	S	.	.	H	α-helix	trans	-60.7	-35.2	175.4	-167.5	168.5	69.9	151.6	-17.7	112.6	L504 Q507 K673 E674 Y681	L504-R677 PolarHBondContact O-NH2 3.26Å; Q507-R677 PolarHBondContact NE2-O 3.5Å; K673-R677 VanDerWaalsContact O-CB 3.32Å; K673-R677 WeakPolarHBondContact O-CB 3.28Å; K673-R677 PolarHBondContact O-N 3.29Å; E674-R677 PolarHBondContact O-N 2.76Å; E674-R677 IonicContact OE1-CZ 3.21Å; E674-R677 IonicContact OE1-NE 2.82Å; E674-R677 IonicContact OE1-NH2 2.79Å; E674-R677 PolarHBondContact OE1-NH2 3.01Å; E674-R677 IonicContact OE2-CZ 2.66Å; E674-R677 IonicContact OE2-NE 2.76Å; E674-R677 PolarHBondContact OE2-NE 2.74Å; E674-R677 IonicContact OE2-NH2 3.52Å; E674-R677 PolarHBondContact OE2-NH2 2.85Å; R677-Y681 WeakPolarHBondContact O-CB 3.37Å; R677-Y681 PolarHBondContact O-N 2.84Å
678	L	91	Very high	88	Confident	10 Å²	10	66.3 Å²	66.3	5%	0.052	34%	0.34	C	S	.	.	H	α-helix	trans	-66.3	-46.9	176.4	-72.6	165.4	0	0	0	111.7	Q507 L511 E639 C643 E674 L675 D676 Y681 Q682	Q507-L678 HydrophobicContact CG-CD2 4Å; Q507-L678 VanDerWaalsContact NE2-N 3.2Å; L511-L678 HydrophobicContact CD1-CD2 3.69Å; L511-L678 HydrophobicContact CD2-CD1 4.15Å; L511-L678 HydrophobicContact CD2-CD2 3.81Å; L511-L678 HydrophobicContact CG-CD2 3.97Å; E639-L678 HydrophobicContact CB-CD2 4.23Å; C643-L678 HydrophobicContact CB-CD1 3.71Å; E674-L678 VanDerWaalsContact O-CG 3.22Å; E674-L678 WeakPolarHBondContact O-CG 3.34Å; E674-L678 PolarHBondContact O-N 2.97Å; L675-L678 PolarHBondContact O-N 3.37Å; D676-L678 VanDerWaalsContact C-N 3.29Å; D676-L678 PolarHBondContact O-N 2.94Å; L678-Y681 PolarHBondContact O-N 2.95Å; L678-Q682 WeakPolarHBondContact O-CB 3.18Å; L678-Q682 PolarHBondContact O-N 3.4Å
679	I	91.1	Very high	87.8	Confident	1 Å²	1	70 Å²	70	1%	0.005	36%	0.358	C	S	.	.	H	α-helix	trans	-64.7	-45.2	178.6	-60.9	168.1	0	0	0	110.7	L675 D676 Y681 Q682 M683 C687 R690 F691 L694	L675-I679 HydrophobicContact CG-CD1 4.36Å; L675-I679 WeakPolarHBondContact O-CG1 3.43Å; L675-I679 PolarHBondContact O-N 2.99Å; L675-I679 VanDerWaalsContact O-N 3.16Å; D676-I679 PolarHBondContact O-N 2.89Å; I679-Y681 VanDerWaalsContact C-N 3.27Å; I679-Y681 PolarHBondContact O-N 3.07Å; I679-Q682 PolarHBondContact O-N 3.12Å; I679-M683 PolarHBondContact O-N 3.32Å; I679-C687 HydrophobicContact CG2-CB 3.85Å; I679-R690 HydrophobicContact CD1-CG 4.5Å; I679-R690 HydrophobicContact CG2-CB 3.94Å; I679-R690 HydrophobicContact CG2-CG 4.22Å; I679-F691 VanDerWaalsContact CD1-CA 3.47Å; I679-F691 HydrophobicContact CD1-CB 3.71Å; I679-F691 HydrophobicContact CD1-CD2 3.95Å; I679-F691 HydrophobicContact CD1-CG 4.3Å; I679-L694 HydrophobicContact CD1-CD1 3.88Å; I679-L694 HydrophobicContact CG1-CD1 4.23Å
680	N	89	Confident	87.7	Confident	78 Å²	78	67.1 Å²	67.1	42%	0.417	34%	0.341	S	S	.	.	H	α-helix	trans	-70	-19	179.2	-70.7	-47	0	0	0	114	D676 C687	D676-N680 WeakPolarHBondContact O-CB 3.45Å; D676-N680 PolarHBondContact O-N 3.21Å; D676-N680 PolarHBondContact O-ND2 3.36Å; D676-N680 PolarHBondContact OD1-ND2 3.42Å; D676-N680 PolarHBondContact OD2-ND2 2.88Å; N680-C687 WeakPolarHBondContact OD1-CB 3.32Å; N680-C687 PolarHBondContact OD1-SG 3.42Å; N680-C687 VanDerWaalsContact OD1-SG 3.37Å
681	Y	84.2	Confident	87.8	Confident	189 Å²	189	66.9 Å²	66.9	74%	0.741	34%	0.336	S	S	*	.	H	α-helix	trans	-82.4	-39.5	170.5	-176.5	-99.6	0	0	0	111.9	R677 L678 I679	R677-Y681 WeakPolarHBondContact O-CB 3.37Å; R677-Y681 PolarHBondContact O-N 2.84Å; L678-Y681 PolarHBondContact O-N 2.95Å; I679-Y681 VanDerWaalsContact C-N 3.27Å; I679-Y681 PolarHBondContact O-N 3.07Å
682	Q	79.7	Confident	87.7	Confident	100 Å²	100	71.1 Å²	71.1	47%	0.467	35%	0.352	S	S	.	.	H	α-helix	trans	-84.1	-24.3	-176.1	-171.3	160.6	32.5	0	0	114	L678 I679	L678-Q682 WeakPolarHBondContact O-CB 3.18Å; L678-Q682 PolarHBondContact O-N 3.4Å; I679-Q682 PolarHBondContact O-N 3.12Å
683	M	78.2	Confident	87.7	Confident	65 Å²	65	72 Å²	72	32%	0.32	36%	0.355	S	S	.	.			trans	-131.1	138.6	-179.8	-62.2	-163.7	177.1	0	0	112	I679 C687 R690	I679-M683 PolarHBondContact O-N 3.32Å; M683-C687 PolarHBondContact O-SG 3.32Å; M683-R690 WeakPolarHBondContact SD-CD 3.43Å
684	T	67.3	Low	87.8	Confident	141 Å²	141	66 Å²	66	87%	0.865	33%	0.33	S	S	*	.	S	Bend	trans	-96.7	-4.6	176.4	53.9	0	0	0	0	113.3
685	T	69.4	Low	88	Confident	92 Å²	92	65.2 Å²	65.2	56%	0.564	33%	0.326	S	S	*	.	S	Bend	trans	-146	157.2	-179	55.5	0	0	0	0	110	C687	T685-C687 PolarHBondContact O-N 3.14Å; T685-C687 VanDerWaalsContact O-N 3.1Å
686	N	80.3	Confident	88	Confident	119 Å²	119	70.4 Å²	70.4	64%	0.636	35%	0.345	S	S	*	.			trans	59.7	15.2	178.4	-56.9	-48.3	0	0	0	116.1	Q689 R690	N686-Q689 HydrophobicContact CB-CB 4.46Å; N686-Q689 WeakPolarHBondContact O-CA 3.26Å; N686-Q689 WeakPolarHBondContact O-CB 3.41Å; N686-Q689 PolarHBondContact O-N 2.89Å; N686-R690 PolarHBondContact O-N 3.49Å
687	C	85.3	Confident	88.2	Confident	12 Å²	12	67.4 Å²	67.4	8%	0.081	33%	0.329	C	S	.	.	H	α-helix	trans	-53.5	-45.6	-177.7	-42.3	0	0	0	0	114	I679 N680 M683 T685 Q689 R690 F691	I679-C687 HydrophobicContact CG2-CB 3.85Å; N680-C687 WeakPolarHBondContact OD1-CB 3.32Å; N680-C687 PolarHBondContact OD1-SG 3.42Å; N680-C687 VanDerWaalsContact OD1-SG 3.37Å; M683-C687 PolarHBondContact O-SG 3.32Å; T685-C687 PolarHBondContact O-N 3.14Å; T685-C687 VanDerWaalsContact O-N 3.1Å; C687-Q689 VanDerWaalsContact C-N 3.3Å; C687-Q689 PolarHBondContact O-N 2.97Å; C687-R690 PolarHBondContact O-N 3.07Å; C687-F691 PolarHBondContact O-N 3.36Å
688	P	88.4	Confident	88.4	Confident	104 Å²	104	63.9 Å²	63.9	68%	0.675	32%	0.316	S	S	*	.	H	α-helix	trans	-63.6	-35.2	177.1	-22	34.6	0	0	0	112.9	F691 Y692	P688-F691 PolarHBondContact O-N 2.84Å; P688-Y692 WeakPolarHBondContact O-CB 3.42Å; P688-Y692 PolarHBondContact O-N 2.9Å
689	Q	91.6	Very high	88.6	Confident	96 Å²	96	64.5 Å²	64.5	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-68.8	-38.6	177.1	179.4	59.7	30.4	0	0	111.4	N686 C687 Q693	N686-Q689 HydrophobicContact CB-CB 4.46Å; N686-Q689 WeakPolarHBondContact O-CA 3.26Å; N686-Q689 WeakPolarHBondContact O-CB 3.41Å; N686-Q689 PolarHBondContact O-N 2.89Å; C687-Q689 VanDerWaalsContact C-N 3.3Å; C687-Q689 PolarHBondContact O-N 2.97Å; Q689-Q693 WeakPolarHBondContact O-CB 3.46Å; Q689-Q693 VanDerWaalsContact O-CG 3.26Å; Q689-Q693 WeakPolarHBondContact O-CG 3.44Å; Q689-Q693 PolarHBondContact O-N 3.48Å
690	R	94.1	Very high	88.7	Confident	25 Å²	25	67.1 Å²	67.1	9%	0.094	34%	0.338	C	S	.	.	H	α-helix	trans	-68.6	-43	173.7	-171.2	161.7	-177.7	93.8	-2.4	111.1	L634 Q635 E640 I679 M683 N686 C687 Y692 Q693 L694	L634-R690 PolarHBondContact O-NH1 3.32Å; Q635-R690 PolarHBondContact O-NH2 3.29Å; E640-R690 IonicContact OE1-CZ 2.67Å; E640-R690 IonicContact OE1-NE 3.7Å; E640-R690 PolarHBondContact OE1-NE 3.19Å; E640-R690 IonicContact OE1-NH2 3.83Å; E640-R690 PolarHBondContact OE1-NH2 2.84Å; E640-R690 IonicContact OE2-CZ 2.65Å; E640-R690 IonicContact OE2-NE 2.75Å; E640-R690 IonicContact OE2-NH2 3.16Å; E640-R690 PolarHBondContact OE2-NH2 2.87Å; I679-R690 HydrophobicContact CD1-CG 4.5Å; I679-R690 HydrophobicContact CG2-CB 3.94Å; I679-R690 HydrophobicContact CG2-CG 4.22Å; M683-R690 WeakPolarHBondContact SD-CD 3.43Å; N686-R690 PolarHBondContact O-N 3.49Å; C687-R690 PolarHBondContact O-N 3.07Å; R690-Y692 VanDerWaalsContact C-N 3.34Å; R690-Y692 PolarHBondContact O-N 3.29Å; R690-Q693 WeakPolarHBondContact O-CB 3.36Å; R690-Q693 PolarHBondContact O-N 3.48Å; R690-Q693 VanDerWaalsContact O-N 3.12Å; R690-L694 HydrophobicContact CG-CG 4.37Å; R690-L694 WeakPolarHBondContact O-CG 3.44Å; R690-L694 PolarHBondContact O-N 3.23Å
691	F	95.1	Very high	89	Confident	47 Å²	47	63.5 Å²	63.5	21%	0.206	32%	0.319	C	S	.	.	H	α-helix	trans	-57.8	-45.9	175.3	-176.4	-85.2	0	0	0	111.7	I672 L675 D676 I679 C687 P688 L694 T695	I672-F691 HydrophobicContact CG2-CE2 4.42Å; I672-F691 HydrophobicContact CG2-CZ 4.05Å; L675-F691 HydrophobicContact CB-CE2 4.44Å; L675-F691 HydrophobicContact CD2-CD2 4.46Å; L675-F691 HydrophobicContact CD2-CE2 4.18Å; L675-F691 HydrophobicContact CG-CD2 4.42Å; L675-F691 HydrophobicContact CG-CE2 4.33Å; D676-F691 HydrophobicContact CB-CD2 4.13Å; D676-F691 HydrophobicContact CB-CE2 4.14Å; I679-F691 VanDerWaalsContact CD1-CA 3.47Å; I679-F691 HydrophobicContact CD1-CB 3.71Å; I679-F691 HydrophobicContact CD1-CD2 3.95Å; I679-F691 HydrophobicContact CD1-CG 4.3Å; C687-F691 PolarHBondContact O-N 3.36Å; P688-F691 PolarHBondContact O-N 2.84Å; F691-L694 PolarHBondContact O-N 3.02Å; F691-T695 HydrophobicContact CD1-CG2 4.16Å; F691-T695 HydrophobicContact CE1-CG2 3.66Å; F691-T695 HydrophobicContact CE2-CG2 4.27Å; F691-T695 HydrophobicContact CZ-CG2 3.73Å; F691-T695 WeakPolarHBondContact O-CB 3.49Å; F691-T695 PolarHBondContact O-N 3.07Å; F691-T695 PolarHBondContact O-OG1 2.82Å
692	Y	95.1	Very high	89.5	Confident	91 Å²	91	55.6 Å²	55.6	36%	0.357	29%	0.288	S	S	.	.	H	α-helix	trans	-57.9	-48	172	172.5	-96.5	0	0	0	112.2	P688 R690 L694 T695 R696 H754	P688-Y692 WeakPolarHBondContact O-CB 3.42Å; P688-Y692 PolarHBondContact O-N 2.9Å; R690-Y692 VanDerWaalsContact C-N 3.34Å; R690-Y692 PolarHBondContact O-N 3.29Å; Y692-L694 PolarHBondContact O-N 3.34Å; Y692-T695 PolarHBondContact O-N 3.25Å; Y692-T695 PolarHBondContact O-OG1 3.37Å; Y692-R696 WeakPolarHBondContact O-CB 3.39Å; Y692-R696 PolarHBondContact O-N 3.18Å; Y692-R696 WeakPolarHBondContact OH-CD 3.47Å; Y692-H754 AromaticContact CD2-CD2 3.8Å; Y692-H754 AromaticContact CD2-CE1 3.95Å; Y692-H754 AromaticContact CD2-NE2 3.19Å; Y692-H754 WeakPolarHBondContact CD2-NE2 3.49Å; Y692-H754 AromaticContact CE2-CD2 3.67Å; Y692-H754 AromaticContact CE2-NE2 3.49Å; Y692-H754 WeakPolarHBondContact CE2-NE2 3.05Å
693	Q	95.5	Very high	90.1	Very high	54 Å²	54	56.1 Å²	56.1	25%	0.252	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-44.4	178.6	-77.3	167.3	-23.7	0	0	112.6	L634 Q689 R690 L697	L634-Q693 HydrophobicContact CD1-CB 4.47Å; L634-Q693 HydrophobicContact CD2-CB 3.95Å; L634-Q693 HydrophobicContact CD2-CG 4.07Å; Q689-Q693 WeakPolarHBondContact O-CB 3.46Å; Q689-Q693 VanDerWaalsContact O-CG 3.26Å; Q689-Q693 WeakPolarHBondContact O-CG 3.44Å; Q689-Q693 PolarHBondContact O-N 3.48Å; R690-Q693 WeakPolarHBondContact O-CB 3.36Å; R690-Q693 PolarHBondContact O-N 3.48Å; R690-Q693 VanDerWaalsContact O-N 3.12Å; Q693-L697 PolarHBondContact O-N 2.82Å
694	L	96.8	Very high	90.8	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-49.8	178.2	-63.7	-167.6	0	0	0	111.5	I636 E640 M644 L675 I679 R690 F691 Y692 R696 L697 L698	I636-L694 HydrophobicContact CD1-CD2 3.28Å; E640-L694 HydrophobicContact CB-CD1 4.16Å; E640-L694 HydrophobicContact CG-CD1 3.77Å; M644-L694 HydrophobicContact CE-CB 3.85Å; M644-L694 HydrophobicContact CE-CD2 4.3Å; M644-L694 WeakPolarHBondContact CE-O 3.43Å; M644-L694 HydrophobicContact SD-CB 3.9Å; M644-L694 HydrophobicContact SD-CD1 3.97Å; M644-L694 HydrophobicContact SD-CD2 3.91Å; M644-L694 HydrophobicContact SD-CG 4.14Å; L675-L694 HydrophobicContact CD1-CD1 3.96Å; I679-L694 HydrophobicContact CD1-CD1 3.88Å; I679-L694 HydrophobicContact CG1-CD1 4.23Å; R690-L694 HydrophobicContact CG-CG 4.37Å; R690-L694 WeakPolarHBondContact O-CG 3.44Å; R690-L694 PolarHBondContact O-N 3.23Å; F691-L694 PolarHBondContact O-N 3.02Å; Y692-L694 PolarHBondContact O-N 3.34Å; L694-R696 PolarHBondContact O-N 3.47Å; L694-L697 WeakPolarHBondContact O-CB 3.47Å; L694-L697 PolarHBondContact O-N 3.39Å; L694-L697 VanDerWaalsContact O-N 3.13Å; L694-L698 PolarHBondContact O-N 3.15Å
695	T	96.1	Very high	92.2	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-68.3	-33.7	-178.2	48.8	0	0	0	0	112.6	L675 F691 Y692 L697 L698 D699 F753 H754	L675-T695 HydrophobicContact CD2-CG2 4.23Å; F691-T695 HydrophobicContact CD1-CG2 4.16Å; F691-T695 HydrophobicContact CE1-CG2 3.66Å; F691-T695 HydrophobicContact CE2-CG2 4.27Å; F691-T695 HydrophobicContact CZ-CG2 3.73Å; F691-T695 WeakPolarHBondContact O-CB 3.49Å; F691-T695 PolarHBondContact O-N 3.07Å; F691-T695 PolarHBondContact O-OG1 2.82Å; Y692-T695 PolarHBondContact O-N 3.25Å; Y692-T695 PolarHBondContact O-OG1 3.37Å; T695-L697 VanDerWaalsContact C-N 3.26Å; T695-L697 PolarHBondContact O-N 2.89Å; T695-L698 WeakPolarHBondContact O-CB 3.31Å; T695-L698 PolarHBondContact O-N 3.28Å; T695-D699 PolarHBondContact O-N 3.44Å; T695-D699 VanDerWaalsContact O-N 3.14Å; T695-F753 HydrophobicContact CG2-CB 4.45Å; T695-F753 HydrophobicContact CG2-CD1 3.51Å; T695-F753 HydrophobicContact CG2-CD2 4.24Å; T695-F753 HydrophobicContact CG2-CE1 3.67Å; T695-F753 HydrophobicContact CG2-CE2 4.39Å; T695-F753 HydrophobicContact CG2-CG 3.82Å; T695-F753 HydrophobicContact CG2-CZ 4.12Å; T695-H754 PolarHBondContact OG1-CE1 2.69Å; T695-H754 VanDerWaalsContact OG1-CE1 3.29Å
696	R	95.7	Very high	93.4	Very high	108 Å²	108	48.1 Å²	48.1	41%	0.408	24%	0.237	S	C	.	.	H	α-helix	trans	-62.6	-30.4	171.5	-170.4	-176.3	76	172.8	6.4	112.9	Y692 L694 L698 D699 S700	Y692-R696 WeakPolarHBondContact O-CB 3.39Å; Y692-R696 PolarHBondContact O-N 3.18Å; Y692-R696 WeakPolarHBondContact OH-CD 3.47Å; L694-R696 PolarHBondContact O-N 3.47Å; R696-L698 VanDerWaalsContact C-N 3.34Å; R696-D699 PolarHBondContact O-N 3.32Å; R696-S700 PolarHBondContact O-N 3.38Å; R696-S700 PolarHBondContact O-OG 3.46Å
697	L	96.3	Very high	94.1	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-72	-27.6	173.6	-172.8	62.1	0	0	0	112.4	L627 E630 F631 L634 I636 M644 Q693 L694 T695 S700 L701	L627-L697 HydrophobicContact CD2-CD1 3.86Å; E630-L697 HydrophobicContact CB-CD1 3.84Å; E630-L697 HydrophobicContact CG-CD1 4.32Å; F631-L697 HydrophobicContact CD1-CD2 3.75Å; F631-L697 HydrophobicContact CE1-CD2 3.59Å; F631-L697 HydrophobicContact CE1-CG 4.38Å; F631-L697 HydrophobicContact CZ-CD2 4.48Å; L634-L697 HydrophobicContact CD1-CD2 4.16Å; I636-L697 HydrophobicContact CD1-CD2 4.37Å; M644-L697 HydrophobicContact CE-CB 4.41Å; M644-L697 HydrophobicContact CE-CD2 4.36Å; Q693-L697 PolarHBondContact O-N 2.82Å; L694-L697 WeakPolarHBondContact O-CB 3.47Å; L694-L697 PolarHBondContact O-N 3.39Å; L694-L697 VanDerWaalsContact O-N 3.13Å; T695-L697 VanDerWaalsContact C-N 3.26Å; T695-L697 PolarHBondContact O-N 2.89Å; L697-S700 PolarHBondContact O-OG 3.42Å; L697-L701 PolarHBondContact O-N 3.15Å
698	L	96.6	Very high	94.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-72.7	-34.3	171.8	-56.3	-174.2	0	0	0	112.2	F584 M644 L647 L648 L694 T695 R696 Q702 F753	F584-L698 HydrophobicContact CE2-CD2 3.85Å; F584-L698 HydrophobicContact CZ-CD2 4.04Å; M644-L698 HydrophobicContact CB-CD2 4.09Å; M644-L698 HydrophobicContact CE-CD2 3.58Å; M644-L698 HydrophobicContact CE-CG 3.91Å; M644-L698 HydrophobicContact CG-CD2 4.45Å; L647-L698 HydrophobicContact CB-CD1 4.13Å; L647-L698 HydrophobicContact CD1-CD1 4.38Å; L648-L698 HydrophobicContact CD1-CD2 4.05Å; L648-L698 HydrophobicContact CD2-CB 4.2Å; L648-L698 HydrophobicContact CD2-CD2 3.95Å; L648-L698 HydrophobicContact CG-CD2 3.86Å; L694-L698 PolarHBondContact O-N 3.15Å; T695-L698 WeakPolarHBondContact O-CB 3.31Å; T695-L698 PolarHBondContact O-N 3.28Å; R696-L698 VanDerWaalsContact C-N 3.34Å; L698-Q702 WeakPolarHBondContact O-CG 3.42Å; L698-Q702 PolarHBondContact O-NE2 2.86Å; L698-F753 HydrophobicContact CB-CD2 4.31Å; L698-F753 HydrophobicContact CB-CE2 4.1Å; L698-F753 HydrophobicContact CD1-CD2 4.46Å; L698-F753 HydrophobicContact CD1-CE2 3.64Å; L698-F753 HydrophobicContact CD1-CZ 4.04Å; L698-F753 HydrophobicContact CG-CE2 4.47Å
699	D	95.1	Very high	95	Very high	24 Å²	24	41.9 Å²	41.9	13%	0.128	19%	0.193	C	C	.	.	H	α-helix	trans	-72.7	-45.1	176.1	-66.1	-23.3	0	0	0	111.7	T695 R696 L701 Q702 L752 F753 H754	T695-D699 PolarHBondContact O-N 3.44Å; T695-D699 VanDerWaalsContact O-N 3.14Å; R696-D699 PolarHBondContact O-N 3.32Å; D699-L701 VanDerWaalsContact C-N 3.27Å; D699-L701 PolarHBondContact O-N 3.44Å; D699-Q702 WeakPolarHBondContact O-CB 3.42Å; D699-Q702 WeakPolarHBondContact O-CG 3.3Å; D699-Q702 PolarHBondContact O-N 2.83Å; D699-L752 HydrophobicContact CB-CD2 4.11Å; D699-L752 WeakPolarHBondContact OD1-CA 3.23Å; D699-F753 PolarHBondContact OD1-N 3.23Å; D699-F753 PolarHBondContact OD2-N 3.36Å; D699-H754 IonicContact OD2-CE1 2.75Å; D699-H754 IonicContact OD2-CG 2.71Å; D699-H754 PolarHBondContact OD2-N 3.31Å; D699-H754 IonicContact OD2-ND1 3.91Å; D699-H754 PolarHBondContact OD2-ND1 3.02Å
700	S	92.9	Very high	95.2	Very high	55 Å²	55	41 Å²	41	39%	0.385	19%	0.189	S	C	.	.	H	α-helix	trans	-65.8	-29	179.8	71.6	0	0	0	0	113.1	R696 L697 Q702	R696-S700 PolarHBondContact O-N 3.38Å; R696-S700 PolarHBondContact O-OG 3.46Å; L697-S700 PolarHBondContact O-OG 3.42Å; S700-Q702 VanDerWaalsContact C-N 3.29Å; S700-Q702 PolarHBondContact O-N 3.4Å
701	L	95.6	Very high	95.3	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-58.3	-38.3	171	177.5	66.3	0	0	0	112.2	V583 F584 L627 L648 L697 D699 M703 T704 V705	V583-L701 HydrophobicContact CB-CD1 4.17Å; V583-L701 HydrophobicContact CG1-CD1 3.59Å; F584-L701 HydrophobicContact CB-CD2 4.1Å; F584-L701 HydrophobicContact CD2-CD2 4.02Å; F584-L701 HydrophobicContact CG-CD2 4.46Å; L627-L701 HydrophobicContact CD1-CD1 3.68Å; L648-L701 HydrophobicContact CD1-CD2 3.42Å; L648-L701 VanDerWaalsContact CD1-CD2 3.42Å; L648-L701 HydrophobicContact CD2-CD2 3.75Å; L648-L701 HydrophobicContact CG-CD2 4.24Å; L697-L701 PolarHBondContact O-N 3.15Å; D699-L701 VanDerWaalsContact C-N 3.27Å; D699-L701 PolarHBondContact O-N 3.44Å; L701-M703 VanDerWaalsContact C-N 3.27Å; L701-M703 PolarHBondContact O-N 2.88Å; L701-T704 WeakPolarHBondContact O-CA 3.34Å; L701-T704 WeakPolarHBondContact O-CB 3.3Å; L701-T704 PolarHBondContact O-N 3.01Å; L701-V705 HydrophobicContact CD1-CG2 3.84Å; L701-V705 HydrophobicContact CG-CG2 3.8Å; L701-V705 WeakPolarHBondContact O-CG2 3.44Å; L701-V705 PolarHBondContact O-N 2.84Å
702	Q	93.9	Very high	95.3	Very high	22 Å²	22	40 Å²	40	10%	0.103	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-37	-173.8	-54.9	-55.1	-38.2	0	0	112.5	L698 D699 S700 V705 K706 P750 L752	L698-Q702 WeakPolarHBondContact O-CG 3.42Å; L698-Q702 PolarHBondContact O-NE2 2.86Å; D699-Q702 WeakPolarHBondContact O-CB 3.42Å; D699-Q702 WeakPolarHBondContact O-CG 3.3Å; D699-Q702 PolarHBondContact O-N 2.83Å; S700-Q702 VanDerWaalsContact C-N 3.29Å; S700-Q702 PolarHBondContact O-N 3.4Å; Q702-V705 PolarHBondContact O-N 3.14Å; Q702-K706 WeakPolarHBondContact O-CB 3.19Å; Q702-K706 PolarHBondContact O-N 3.07Å; Q702-P750 HydrophobicContact CB-CB 4.47Å; Q702-P750 HydrophobicContact CG-CB 4.09Å; Q702-L752 HydrophobicContact CB-CD2 4.28Å; Q702-L752 HydrophobicContact CG-CD2 3.73Å
703	M	92.1	Very high	95.4	Very high	112 Å²	112	38 Å²	38	55%	0.552	18%	0.18	S	C	*	.	H	α-helix	trans	-67.4	-37.8	176.1	-178.4	56.2	66.4	0	0	112.1	L701 K707	L701-M703 VanDerWaalsContact C-N 3.27Å; L701-M703 PolarHBondContact O-N 2.88Å; M703-K707 WeakPolarHBondContact O-CG 3.46Å; M703-K707 PolarHBondContact O-N 3.05Å; M703-K707 VanDerWaalsContact O-N 3.14Å; M703-K707 HydrophobicContact SD-CD 4.43Å; M703-K707 HydrophobicContact SD-CG 4.47Å
704	T	94.8	Very high	95.3	Very high	15 Å²	15	38.5 Å²	38.5	9%	0.092	18%	0.184	C	C	.	.	H	α-helix	trans	-68.1	-42.2	175.3	-60.5	0	0	0	0	110.9	R623 M624 L627 L701 K707 L708	R623-T704 HydrophobicContact CB-CG2 3.93Å; M624-T704 HydrophobicContact CG-CG2 4.03Å; L627-T704 HydrophobicContact CD1-CG2 4.05Å; L701-T704 WeakPolarHBondContact O-CA 3.34Å; L701-T704 WeakPolarHBondContact O-CB 3.3Å; L701-T704 PolarHBondContact O-N 3.01Å; T704-K707 PolarHBondContact O-N 3.48Å; T704-L708 WeakPolarHBondContact O-CB 3.42Å; T704-L708 PolarHBondContact O-N 3.3Å
705	V	95.9	Very high	95.2	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.024	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-46.2	176.7	170.3	0	0	0	0	111.6	M579 L701 Q702 K707 L708 H709	M579-V705 HydrophobicContact CB-CG1 4.07Å; M579-V705 HydrophobicContact CG-CG1 3.99Å; L701-V705 HydrophobicContact CD1-CG2 3.84Å; L701-V705 HydrophobicContact CG-CG2 3.8Å; L701-V705 WeakPolarHBondContact O-CG2 3.44Å; L701-V705 PolarHBondContact O-N 2.84Å; Q702-V705 PolarHBondContact O-N 3.14Å; V705-K707 PolarHBondContact O-N 2.92Å; V705-L708 PolarHBondContact O-N 3.3Å; V705-H709 WeakPolarHBondContact O-CB 3.44Å; V705-H709 PolarHBondContact O-CD2 3.36Å; V705-H709 PolarHBondContact O-N 2.92Å
706	K	94.3	Very high	95.1	Very high	110 Å²	110	39.8 Å²	39.8	48%	0.478	19%	0.19	S	C	.	.	H	α-helix	trans	-60	-43.8	175.7	-174.7	174.3	-177.9	175	0	112	Q702 H709 Q710 L744	Q702-K706 WeakPolarHBondContact O-CB 3.19Å; Q702-K706 PolarHBondContact O-N 3.07Å; K706-H709 PolarHBondContact O-N 3.23Å; K706-Q710 PolarHBondContact O-N 3.1Å; K706-Q710 VanDerWaalsContact O-N 3.11Å; K706-L744 HydrophobicContact CG-CD2 4.37Å
707	K	95.5	Very high	95	Very high	91 Å²	91	37.6 Å²	37.6	40%	0.396	19%	0.189	S	C	.	.	H	α-helix	trans	-65.6	-37.4	176.3	-72.9	-179	178.8	-176.6	0	112.1	H620 M703 T704 V705 Q710 F711	H620-K707 PolarHBondContact CE1-O 3.25Å; M703-K707 WeakPolarHBondContact O-CG 3.46Å; M703-K707 PolarHBondContact O-N 3.05Å; M703-K707 VanDerWaalsContact O-N 3.14Å; M703-K707 HydrophobicContact SD-CD 4.43Å; M703-K707 HydrophobicContact SD-CG 4.47Å; T704-K707 PolarHBondContact O-N 3.48Å; V705-K707 PolarHBondContact O-N 2.92Å; K707-Q710 PolarHBondContact O-N 3.43Å; K707-F711 PolarHBondContact O-N 2.9Å; K707-F711 VanDerWaalsContact O-N 3.16Å
708	L	96.2	Very high	94.8	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.063	21%	0.207	C	C	.	.	H	α-helix	trans	-70.5	-38.9	176.6	-172.2	56.5	0	0	0	112.1	M579 V583 H620 M624 T704 V705 Q710 F711 T712	M579-L708 HydrophobicContact CE-CD2 4.3Å; M579-L708 HydrophobicContact CE-CG 3.96Å; M579-L708 HydrophobicContact CG-CD2 4.28Å; M579-L708 HydrophobicContact SD-CD2 3.52Å; M579-L708 VanDerWaalsContact SD-CD2 3.52Å; M579-L708 HydrophobicContact SD-CG 3.84Å; V583-L708 HydrophobicContact CG2-CD2 3.65Å; H620-L708 HydrophobicContact CB-CD1 4.2Å; M624-L708 HydrophobicContact SD-CD2 4.04Å; T704-L708 WeakPolarHBondContact O-CB 3.42Å; T704-L708 PolarHBondContact O-N 3.3Å; V705-L708 PolarHBondContact O-N 3.3Å; L708-Q710 VanDerWaalsContact C-N 3.35Å; L708-Q710 PolarHBondContact O-N 3.43Å; L708-F711 HydrophobicContact CD1-CD1 4.3Å; L708-F711 PolarHBondContact O-N 3.1Å; L708-T712 WeakPolarHBondContact O-CB 3.42Å; L708-T712 PolarHBondContact O-N 2.97Å; L708-T712 PolarHBondContact O-OG1 3.2Å
709	H	95.8	Very high	94.4	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-55.8	-46.3	170.7	-87.1	-53.8	0	0	0	112.6	W578 M579 V705 K706 T712 F713 V740 L744	W578-H709 AromaticContact NE1-CE1 3.84Å; M579-H709 VanDerWaalsContact CB-CE1 3.43Å; M579-H709 WeakPolarHBondContact CB-CE1 3.11Å; M579-H709 WeakPolarHBondContact CB-NE2 3.46Å; V705-H709 WeakPolarHBondContact O-CB 3.44Å; V705-H709 PolarHBondContact O-CD2 3.36Å; V705-H709 PolarHBondContact O-N 2.92Å; K706-H709 PolarHBondContact O-N 3.23Å; H709-T712 PolarHBondContact O-N 3.49Å; H709-F713 WeakPolarHBondContact O-CB 3.14Å; H709-F713 PolarHBondContact O-N 3.21Å; H709-V740 HydrophobicContact CB-CG1 3.78Å; H709-V740 WeakPolarHBondContact ND1-CG2 3.33Å; H709-V740 WeakPolarHBondContact O-CG1 3.37Å; H709-L744 HydrophobicContact CB-CD2 4.29Å
710	Q	96.5	Very high	94	Very high	79 Å²	79	48.3 Å²	48.3	37%	0.369	24%	0.242	S	C	.	.	H	α-helix	trans	-56.4	-55.9	174.9	-176	63.4	58.6	0	0	110.7	K706 K707 L708 T712 F713 D714 L744	K706-Q710 PolarHBondContact O-N 3.1Å; K706-Q710 VanDerWaalsContact O-N 3.11Å; K707-Q710 PolarHBondContact O-N 3.43Å; L708-Q710 VanDerWaalsContact C-N 3.35Å; L708-Q710 PolarHBondContact O-N 3.43Å; Q710-T712 VanDerWaalsContact C-N 3.34Å; Q710-T712 PolarHBondContact O-N 3.21Å; Q710-F713 PolarHBondContact O-N 3.03Å; Q710-F713 VanDerWaalsContact O-N 3.15Å; Q710-D714 WeakPolarHBondContact CG-OD2 2.87Å; Q710-D714 VanDerWaalsContact NE2-CG 3.26Å; Q710-D714 PolarHBondContact NE2-OD1 2.88Å; Q710-D714 PolarHBondContact NE2-OD2 2.97Å; Q710-D714 PolarHBondContact O-N 3.33Å; Q710-D714 VanDerWaalsContact O-OD2 3.11Å; Q710-L744 HydrophobicContact CB-CD2 4.05Å
711	F	96.1	Very high	93.4	Very high	36 Å²	36	49.8 Å²	49.8	16%	0.158	25%	0.252	C	S	.	.	H	α-helix	trans	-55.1	-45.6	178.3	172.6	-88.9	0	0	0	113.1	L538 M617 K707 L708 F713 D714 L715	L538-F711 HydrophobicContact CD2-CE1 4.19Å; L538-F711 HydrophobicContact CD2-CZ 4.17Å; M617-F711 HydrophobicContact CG-CD1 4.23Å; M617-F711 HydrophobicContact CG-CE1 3.46Å; M617-F711 VanDerWaalsContact CG-CE1 3.46Å; M617-F711 HydrophobicContact CG-CE2 4.16Å; M617-F711 HydrophobicContact CG-CZ 3.43Å; M617-F711 VanDerWaalsContact CG-CZ 3.43Å; M617-F711 HydrophobicContact SD-CD1 4.02Å; M617-F711 HydrophobicContact SD-CE1 3.47Å; M617-F711 WeakPolarHBondContact SD-CE1 3.45Å; M617-F711 HydrophobicContact SD-CZ 4.1Å; K707-F711 PolarHBondContact O-N 2.9Å; K707-F711 VanDerWaalsContact O-N 3.16Å; L708-F711 HydrophobicContact CD1-CD1 4.3Å; L708-F711 PolarHBondContact O-N 3.1Å; F711-F713 VanDerWaalsContact C-N 3.34Å; F711-F713 PolarHBondContact O-N 3.36Å; F711-D714 PolarHBondContact O-N 2.65Å; F711-L715 HydrophobicContact CE1-CB 4.4Å; F711-L715 HydrophobicContact CE1-CD2 3.81Å; F711-L715 HydrophobicContact CZ-CB 4.48Å; F711-L715 HydrophobicContact CZ-CD2 4.02Å; F711-L715 VanDerWaalsContact O-CB 3.26Å; F711-L715 WeakPolarHBondContact O-CB 3.23Å; F711-L715 PolarHBondContact O-N 2.98Å
712	T	95.4	Very high	92.1	Very high	13 Å²	13	54.6 Å²	54.6	8%	0.08	28%	0.277	C	S	.	.	H	α-helix	trans	-66.1	-36.2	-179.3	-59.9	0	0	0	0	111.9	M579 L708 H709 Q710 F716 F728 I736	M579-T712 HydrophobicContact CE-CG2 4.5Å; L708-T712 WeakPolarHBondContact O-CB 3.42Å; L708-T712 PolarHBondContact O-N 2.97Å; L708-T712 PolarHBondContact O-OG1 3.2Å; H709-T712 PolarHBondContact O-N 3.49Å; Q710-T712 VanDerWaalsContact C-N 3.34Å; Q710-T712 PolarHBondContact O-N 3.21Å; T712-F716 VanDerWaalsContact O-CB 3.31Å; T712-F716 WeakPolarHBondContact O-CB 3.5Å; T712-F716 PolarHBondContact O-N 3.29Å; T712-F728 HydrophobicContact CG2-CE1 4.37Å; T712-I736 HydrophobicContact CG2-CD1 3.42Å; T712-I736 VanDerWaalsContact CG2-CD1 3.42Å; T712-I736 HydrophobicContact CG2-CG1 3.76Å
713	F	95.9	Very high	90.8	Very high	51 Å²	51	63.1 Å²	63.1	22%	0.224	32%	0.317	C	S	.	.	H	α-helix	trans	-69.8	-45.4	174.5	-180	-103.5	0	0	0	112	H709 Q710 F711 L715 F716 V717 I736 V740 P741 L744	H709-F713 WeakPolarHBondContact O-CB 3.14Å; H709-F713 PolarHBondContact O-N 3.21Å; Q710-F713 PolarHBondContact O-N 3.03Å; Q710-F713 VanDerWaalsContact O-N 3.15Å; F711-F713 VanDerWaalsContact C-N 3.34Å; F711-F713 PolarHBondContact O-N 3.36Å; F713-L715 VanDerWaalsContact C-N 3.31Å; F713-L715 PolarHBondContact O-N 3.4Å; F713-F716 WeakPolarHBondContact O-CB 3.42Å; F713-F716 PolarHBondContact O-N 3.45Å; F713-F716 VanDerWaalsContact O-N 3.14Å; F713-V717 HydrophobicContact CD1-CG2 4.34Å; F713-V717 HydrophobicContact CD2-CG2 4.46Å; F713-V717 HydrophobicContact CE1-CG2 3.85Å; F713-V717 HydrophobicContact CE2-CG2 3.96Å; F713-V717 HydrophobicContact CZ-CG2 3.64Å; F713-V717 WeakPolarHBondContact O-CG2 3.27Å; F713-V717 PolarHBondContact O-N 2.82Å; F713-I736 HydrophobicContact CB-CG2 4.44Å; F713-I736 HydrophobicContact CD2-CG2 4.15Å; F713-V740 HydrophobicContact CB-CG1 3.92Å; F713-P741 HydrophobicContact CD2-CG 3.92Å; F713-P741 HydrophobicContact CE2-CG 3.44Å; F713-P741 VanDerWaalsContact CE2-CG 3.44Å; F713-P741 HydrophobicContact CZ-CG 3.87Å; F713-L744 HydrophobicContact CB-CD1 4.24Å; F713-L744 HydrophobicContact CD1-CD1 4.42Å; F713-L744 HydrophobicContact CG-CD1 4.45Å
714	D	94.6	Very high	89.7	Confident	63 Å²	63	60.5 Å²	60.5	34%	0.337	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-41.3	177.8	-62.3	-33.1	0	0	0	111.3	Q710 F711 Q718	Q710-D714 WeakPolarHBondContact CG-OD2 2.87Å; Q710-D714 VanDerWaalsContact NE2-CG 3.26Å; Q710-D714 PolarHBondContact NE2-OD1 2.88Å; Q710-D714 PolarHBondContact NE2-OD2 2.97Å; Q710-D714 PolarHBondContact O-N 3.33Å; Q710-D714 VanDerWaalsContact O-OD2 3.11Å; F711-D714 PolarHBondContact O-N 2.65Å; D714-Q718 WeakPolarHBondContact O-CB 3.44Å; D714-Q718 VanDerWaalsContact O-CG 3.23Å; D714-Q718 WeakPolarHBondContact O-CG 3.28Å; D714-Q718 PolarHBondContact O-N 3.34Å
715	L	93.8	Very high	89.1	Confident	15 Å²	15	68.5 Å²	68.5	8%	0.079	34%	0.341	C	S	.	.	H	α-helix	trans	-65.4	-37.7	175	-177.4	65.2	0	0	0	112.6	L538 F711 F713 Q718 A719 V726 F728	L538-L715 HydrophobicContact CB-CD2 4.36Å; L538-L715 HydrophobicContact CD1-CD1 4.03Å; L538-L715 HydrophobicContact CD1-CD2 3.94Å; L538-L715 HydrophobicContact CD2-CD2 3.85Å; L538-L715 HydrophobicContact CG-CD2 4.27Å; F711-L715 HydrophobicContact CE1-CB 4.4Å; F711-L715 HydrophobicContact CE1-CD2 3.81Å; F711-L715 HydrophobicContact CZ-CB 4.48Å; F711-L715 HydrophobicContact CZ-CD2 4.02Å; F711-L715 VanDerWaalsContact O-CB 3.26Å; F711-L715 WeakPolarHBondContact O-CB 3.23Å; F711-L715 PolarHBondContact O-N 2.98Å; F713-L715 VanDerWaalsContact C-N 3.31Å; F713-L715 PolarHBondContact O-N 3.4Å; L715-Q718 PolarHBondContact O-N 3.17Å; L715-A719 WeakPolarHBondContact O-CB 3.29Å; L715-A719 PolarHBondContact O-N 2.77Å; L715-V726 HydrophobicContact CD1-CG2 4.36Å; L715-V726 HydrophobicContact CD2-CG1 4.27Å; L715-V726 HydrophobicContact CG-CG1 4.4Å; L715-F728 HydrophobicContact CB-CZ 4.23Å; L715-F728 HydrophobicContact CD2-CZ 3.96Å; L715-F728 HydrophobicContact CG-CE2 4.14Å; L715-F728 HydrophobicContact CG-CZ 3.82Å
716	F	94.8	Very high	88.9	Confident	15 Å²	15	69 Å²	69	7%	0.066	34%	0.344	C	S	.	.	H	α-helix	trans	-66.6	-46.1	176.5	176.1	-91.9	0	0	0	111.7	T712 F713 Q718 A719 Q720 F728 I736	T712-F716 VanDerWaalsContact O-CB 3.31Å; T712-F716 WeakPolarHBondContact O-CB 3.5Å; T712-F716 PolarHBondContact O-N 3.29Å; F713-F716 WeakPolarHBondContact O-CB 3.42Å; F713-F716 PolarHBondContact O-N 3.45Å; F713-F716 VanDerWaalsContact O-N 3.14Å; F716-Q718 VanDerWaalsContact C-N 3.3Å; F716-Q718 PolarHBondContact O-N 3.01Å; F716-A719 PolarHBondContact O-N 3.19Å; F716-A719 VanDerWaalsContact O-N 3.14Å; F716-Q720 VanDerWaalsContact CE1-CD 3.48Å; F716-Q720 HydrophobicContact CE1-CG 4.35Å; F716-Q720 HydrophobicContact CZ-CG 4.45Å; F716-Q720 VanDerWaalsContact CZ-NE2 3.25Å; F716-Q720 PolarHBondContact O-N 3.12Å; F716-F728 HydrophobicContact CB-CE1 4.11Å; F716-F728 HydrophobicContact CB-CE2 4.17Å; F716-F728 HydrophobicContact CB-CZ 3.88Å; F716-F728 HydrophobicContact CD2-CB 4.12Å; F716-F728 AromaticContact CD2-CD1 3.84Å; F716-F728 HydrophobicContact CD2-CD1 3.84Å; F716-F728 HydrophobicContact CD2-CD2 4.07Å; F716-F728 HydrophobicContact CD2-CE1 4.22Å; F716-F728 HydrophobicContact CD2-CE2 4.42Å; F716-F728 AromaticContact CD2-CG 3.74Å; F716-F728 HydrophobicContact CD2-CG 3.74Å; F716-F728 HydrophobicContact CD2-CZ 4.48Å; F716-F728 HydrophobicContact CE2-CB 4.32Å; F716-F728 HydrophobicContact CE2-CG 4.42Å; F716-I736 HydrophobicContact CB-CG2 3.61Å; F716-I736 HydrophobicContact CD1-CG2 4.01Å; F716-I736 HydrophobicContact CD2-CB 4.37Å; F716-I736 HydrophobicContact CD2-CG2 4.1Å; F716-I736 HydrophobicContact CG-CB 4.39Å; F716-I736 HydrophobicContact CG-CG2 3.65Å
717	V	93.3	Very high	88.8	Confident	61 Å²	61	66.8 Å²	66.8	37%	0.37	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-39.6	174.7	174.2	0	0	0	0	110.9	F713 Q720 S721	F713-V717 HydrophobicContact CD1-CG2 4.34Å; F713-V717 HydrophobicContact CD2-CG2 4.46Å; F713-V717 HydrophobicContact CE1-CG2 3.85Å; F713-V717 HydrophobicContact CE2-CG2 3.96Å; F713-V717 HydrophobicContact CZ-CG2 3.64Å; F713-V717 WeakPolarHBondContact O-CG2 3.27Å; F713-V717 PolarHBondContact O-N 2.82Å; V717-Q720 PolarHBondContact O-N 2.75Å; V717-S721 WeakPolarHBondContact O-CB 3.24Å; V717-S721 PolarHBondContact O-N 2.98Å; V717-S721 PolarHBondContact O-OG 3.14Å
718	Q	90.9	Very high	88.7	Confident	91 Å²	91	64.1 Å²	64.1	43%	0.425	33%	0.331	S	S	.	.	H	α-helix	trans	-64.5	-37.9	173.5	-73.9	170.6	29.7	0	0	113	D714 L715 F716 Q720 S721 L722 T724	D714-Q718 WeakPolarHBondContact O-CB 3.44Å; D714-Q718 VanDerWaalsContact O-CG 3.23Å; D714-Q718 WeakPolarHBondContact O-CG 3.28Å; D714-Q718 PolarHBondContact O-N 3.34Å; L715-Q718 PolarHBondContact O-N 3.17Å; F716-Q718 VanDerWaalsContact C-N 3.3Å; F716-Q718 PolarHBondContact O-N 3.01Å; Q718-Q720 VanDerWaalsContact C-N 3.31Å; Q718-Q720 PolarHBondContact O-N 2.71Å; Q718-S721 PolarHBondContact O-N 3.05Å; Q718-L722 WeakPolarHBondContact O-CB 3.3Å; Q718-L722 PolarHBondContact O-N 3.33Å; Q718-T724 PolarHBondContact O-OG1 3.49Å
719	A	89.8	Confident	88.7	Confident	26 Å²	26	64.5 Å²	64.5	22%	0.215	33%	0.334	C	S	.	.	H	α-helix	trans	-71.2	-22.6	176.9	0	0	0	0	0	113.9	L715 F716 T724 F728	L715-A719 WeakPolarHBondContact O-CB 3.29Å; L715-A719 PolarHBondContact O-N 2.77Å; F716-A719 PolarHBondContact O-N 3.19Å; F716-A719 VanDerWaalsContact O-N 3.14Å; A719-T724 WeakPolarHBondContact CA-OG1 3.35Å; A719-F728 HydrophobicContact CB-CD2 3.84Å; A719-F728 HydrophobicContact CB-CE2 3.72Å
720	Q	86.2	Confident	88.5	Confident	140 Å²	140	71.9 Å²	71.9	65%	0.654	37%	0.368	S	S	*	.	H	α-helix	trans	-87.5	-30.6	173.3	-69.5	-171.1	-33.6	0	0	113.6	F716 V717 Q718	F716-Q720 VanDerWaalsContact CE1-CD 3.48Å; F716-Q720 HydrophobicContact CE1-CG 4.35Å; F716-Q720 HydrophobicContact CZ-CG 4.45Å; F716-Q720 VanDerWaalsContact CZ-NE2 3.25Å; F716-Q720 PolarHBondContact O-N 3.12Å; V717-Q720 PolarHBondContact O-N 2.75Å; Q718-Q720 VanDerWaalsContact C-N 3.31Å; Q718-Q720 PolarHBondContact O-N 2.71Å
721	S	80.7	Confident	88.4	Confident	85 Å²	85	71.5 Å²	71.5	59%	0.594	37%	0.368	S	S	*	.	H	α-helix	trans	-98.6	-19.3	-174.2	56.1	0	0	0	0	114.8	V717 Q718	V717-S721 WeakPolarHBondContact O-CB 3.24Å; V717-S721 PolarHBondContact O-N 2.98Å; V717-S721 PolarHBondContact O-OG 3.14Å; Q718-S721 PolarHBondContact O-N 3.05Å
722	L	67.6	Low	88.3	Confident	104 Å²	104	70 Å²	70	55%	0.545	36%	0.361	S	S	.	.	S	Bend	trans	-126.1	154.5	178.3	-58.3	169.8	0	0	0	109.5	Q718 T724	Q718-L722 WeakPolarHBondContact O-CB 3.3Å; Q718-L722 PolarHBondContact O-N 3.33Å; L722-T724 HydrophobicContact CB-CG2 4.17Å; L722-T724 PolarHBondContact O-N 3.16Å
723	H	66.1	Low	88.3	Confident	202 Å²	202	69.8 Å²	69.8	94%	0.935	36%	0.361	S	S	*	.			trans	-73.4	42.1	169.1	-70.8	-53.4	0	0	0	112.9
724	T	69.8	Low	88.3	Confident	57 Å²	57	73 Å²	73	35%	0.35	38%	0.377	S	S	.	.			trans	-70.3	128.6	168.6	47.5	0	0	0	0	108.9	Q718 A719 L722 V726	Q718-T724 PolarHBondContact O-OG1 3.49Å; A719-T724 WeakPolarHBondContact CA-OG1 3.35Å; L722-T724 HydrophobicContact CB-CG2 4.17Å; L722-T724 PolarHBondContact O-N 3.16Å; T724-V726 PolarHBondContact O-N 3.41Å
725	K	83.1	Confident	88.3	Confident	183 Å²	183	70.5 Å²	70.5	80%	0.796	36%	0.364	S	S	*	.			trans	-78.7	38.9	-171.4	-59.7	-175.3	178.5	-177.4	0	113.7	A535 T539	A535-K725 HydrophobicContact CB-CB 4.23Å; T539-K725 PolarHBondContact OG1-O 2.92Å
726	V	91.4	Very high	88.4	Confident	14 Å²	14	69.8 Å²	69.8	9%	0.085	36%	0.36	C	S	.	.			trans	-100.4	111.5	179.8	178.3	0	0	0	0	108.8	A535 L538 T539 L715 T724 F728	A535-V726 HydrophobicContact CB-CG2 3.89Å; L538-V726 HydrophobicContact CB-CG1 4.02Å; L538-V726 HydrophobicContact CB-CG2 4.12Å; L538-V726 HydrophobicContact CD1-CG2 4.23Å; T539-V726 WeakPolarHBondContact OG1-CA 3.31Å; L715-V726 HydrophobicContact CD1-CG2 4.36Å; L715-V726 HydrophobicContact CD2-CG1 4.27Å; L715-V726 HydrophobicContact CG-CG1 4.4Å; T724-V726 PolarHBondContact O-N 3.41Å; V726-F728 HydrophobicContact CG1-CD2 4.18Å; V726-F728 HydrophobicContact CG1-CE2 3.69Å; V726-F728 HydrophobicContact CG1-CZ 4.3Å
727	S	91	Very high	88.4	Confident	64 Å²	64	71.6 Å²	71.6	45%	0.448	38%	0.375	S	S	.	.			trans	-76.7	141.2	174.9	-163.7	0	0	0	0	111.1	T539 N542	T539-S727 PolarHBondContact OG1-N 3.4Å; N542-S727 WeakPolarHBondContact CB-O 3.22Å; N542-S727 PolarHBondContact ND2-O 2.94Å
728	F	94.5	Very high	88.4	Confident	35 Å²	35	72.1 Å²	72.1	15%	0.154	38%	0.378	C	S	.	.			trans	-119.9	111.5	167	-79	-90	0	0	0	108.4	N542 T712 L715 F716 A719 V726 I736	N542-F728 VanDerWaalsContact ND2-CD1 3.32Å; N542-F728 WeakPolarHBondContact ND2-CD1 3.3Å; N542-F728 WeakPolarHBondContact ND2-CE1 3.42Å; N542-F728 WeakPolarHBondContact ND2-CZ 3.42Å; T712-F728 HydrophobicContact CG2-CE1 4.37Å; L715-F728 HydrophobicContact CB-CZ 4.23Å; L715-F728 HydrophobicContact CD2-CZ 3.96Å; L715-F728 HydrophobicContact CG-CE2 4.14Å; L715-F728 HydrophobicContact CG-CZ 3.82Å; F716-F728 HydrophobicContact CB-CE1 4.11Å; F716-F728 HydrophobicContact CB-CE2 4.17Å; F716-F728 HydrophobicContact CB-CZ 3.88Å; F716-F728 HydrophobicContact CD2-CB 4.12Å; F716-F728 AromaticContact CD2-CD1 3.84Å; F716-F728 HydrophobicContact CD2-CD1 3.84Å; F716-F728 HydrophobicContact CD2-CD2 4.07Å; F716-F728 HydrophobicContact CD2-CE1 4.22Å; F716-F728 HydrophobicContact CD2-CE2 4.42Å; F716-F728 AromaticContact CD2-CG 3.74Å; F716-F728 HydrophobicContact CD2-CG 3.74Å; F716-F728 HydrophobicContact CD2-CZ 4.48Å; F716-F728 HydrophobicContact CE2-CB 4.32Å; F716-F728 HydrophobicContact CE2-CG 4.42Å; A719-F728 HydrophobicContact CB-CD2 3.84Å; A719-F728 HydrophobicContact CB-CE2 3.72Å; V726-F728 HydrophobicContact CG1-CD2 4.18Å; V726-F728 HydrophobicContact CG1-CE2 3.69Å; V726-F728 HydrophobicContact CG1-CZ 4.3Å; F728-I736 HydrophobicContact CD1-CD1 3.67Å; F728-I736 HydrophobicContact CE1-CD1 3.61Å
729	P	94.9	Very high	88.5	Confident	20 Å²	20	69.3 Å²	69.3	13%	0.13	36%	0.364	C	S	.	.			trans	-58	155.9	170.8	-24.8	34.8	0	0	0	112.6	E543 E546 I732 G733	E543-P729 HydrophobicContact CG-CG 4.27Å; E546-P729 HydrophobicContact CB-CB 3.99Å; E546-P729 HydrophobicContact CB-CG 4.34Å; E546-P729 HydrophobicContact CG-CB 4.29Å; E546-P729 WeakPolarHBondContact OE1-CB 3.16Å; E546-P729 WeakPolarHBondContact OE2-CB 3.19Å; P729-I732 HydrophobicContact CB-CG2 4.1Å; P729-I732 HydrophobicContact CG-CG2 4.33Å; P729-I732 WeakPolarHBondContact O-CG2 3.24Å; P729-G733 PolarHBondContact O-N 3.24Å
730	E	92.8	Very high	88.7	Confident	155 Å²	155	68 Å²	68	72%	0.724	35%	0.354	S	S	*	.	H	α-helix	trans	-59.3	-53.5	-166.9	-173.8	170.8	-140.3	0	0	113	E546 I732 G733 E734	E546-E730 PolarHBondContact OE2-N 3.28Å; E730-I732 PolarHBondContact O-N 3.18Å; E730-G733 PolarHBondContact O-N 3.23Å; E730-E734 PolarHBondContact O-N 2.99Å
731	M	93.5	Very high	89.1	Confident	72 Å²	72	63.6 Å²	63.6	36%	0.355	34%	0.337	S	S	.	.	H	α-helix	trans	-67	-37.7	-173.7	-175.3	-172	-59.6	0	0	112	E546 L549 V550 I735	E546-M731 HydrophobicContact CG-CB 4.14Å; E546-M731 VanDerWaalsContact OE2-CB 3.3Å; E546-M731 WeakPolarHBondContact OE2-CB 3.37Å; E546-M731 PolarHBondContact OE2-N 3.36Å; L549-M731 HydrophobicContact CD2-CG 3.85Å; L549-M731 HydrophobicContact CD2-SD 3.74Å; L549-M731 HydrophobicContact CG-SD 4.12Å; V550-M731 HydrophobicContact CG2-CE 3.86Å; V550-M731 HydrophobicContact CG2-SD 4.05Å; M731-I735 WeakPolarHBondContact O-CG1 3.48Å; M731-I735 PolarHBondContact O-N 2.86Å
732	I	94.7	Very high	89.6	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-75.1	-34.9	176.8	-161.7	171.5	0	0	0	110.8	E546 W578 P729 E730 I735 I736	E546-I732 HydrophobicContact CB-CB 4.44Å; E546-I732 HydrophobicContact CB-CG2 4.36Å; W578-I732 HydrophobicContact CH2-CD1 4.02Å; W578-I732 HydrophobicContact CH2-CG1 4.07Å; W578-I732 HydrophobicContact CZ3-CD1 3.93Å; W578-I732 HydrophobicContact CZ3-CG1 4.3Å; P729-I732 HydrophobicContact CB-CG2 4.1Å; P729-I732 HydrophobicContact CG-CG2 4.33Å; P729-I732 WeakPolarHBondContact O-CG2 3.24Å; E730-I732 PolarHBondContact O-N 3.18Å; I732-I735 PolarHBondContact O-N 3.37Å; I732-I736 HydrophobicContact CG1-CD1 3.94Å; I732-I736 HydrophobicContact CG1-CG1 4.45Å; I732-I736 WeakPolarHBondContact O-CB 3.29Å; I732-I736 VanDerWaalsContact O-CD1 3.31Å; I732-I736 WeakPolarHBondContact O-CD1 3.37Å; I732-I736 WeakPolarHBondContact O-CG1 3.49Å; I732-I736 PolarHBondContact O-N 2.96Å
733	G	95.4	Very high	90.8	Very high	8 Å²	8	59.6 Å²	59.6	8%	0.082	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-41.1	173.8	0	0	0	0	0	113.9	P729 E730 I736 S737	P729-G733 PolarHBondContact O-N 3.24Å; E730-G733 PolarHBondContact O-N 3.23Å; G733-I736 PolarHBondContact O-N 3.45Å; G733-S737 WeakPolarHBondContact O-CB 3.49Å; G733-S737 PolarHBondContact O-N 3.31Å; G733-S737 PolarHBondContact O-OG 3.01Å
734	E	95.4	Very high	92	Very high	118 Å²	118	51.5 Å²	51.5	55%	0.551	27%	0.269	S	S	*	.	H	α-helix	trans	-60.6	-47.5	172.3	-74.3	-167.1	145	0	0	111.9	E730 I736 S737 V738	E730-E734 PolarHBondContact O-N 2.99Å; E734-I736 VanDerWaalsContact C-N 3.35Å; E734-I736 PolarHBondContact O-N 3.18Å; E734-S737 WeakPolarHBondContact CA-OG 3.26Å; E734-S737 PolarHBondContact O-N 3.04Å; E734-S737 PolarHBondContact O-OG 3.42Å; E734-S737 VanDerWaalsContact O-OG 3.1Å; E734-V738 WeakPolarHBondContact O-CB 3.49Å; E734-V738 WeakPolarHBondContact O-CG2 3.39Å; E734-V738 PolarHBondContact O-N 3.15Å
735	I	95.1	Very high	93.1	Very high	11 Å²	11	52.3 Å²	52.3	6%	0.056	28%	0.282	C	S	.	.	H	α-helix	trans	-66.3	-38.5	179.6	-65.9	-178.7	0	0	0	111.2	L549 Q575 W578 M731 I732 H739 V740	L549-I735 HydrophobicContact CD1-CD1 4.39Å; L549-I735 HydrophobicContact CD2-CD1 3.71Å; Q575-I735 HydrophobicContact CG-CD1 4.12Å; Q575-I735 HydrophobicContact CG-CG1 4.3Å; W578-I735 HydrophobicContact CZ2-CG2 4.23Å; W578-I735 VanDerWaalsContact NE1-CG2 3.26Å; M731-I735 WeakPolarHBondContact O-CG1 3.48Å; M731-I735 PolarHBondContact O-N 2.86Å; I732-I735 PolarHBondContact O-N 3.37Å; I735-H739 HydrophobicContact CG2-CB 4.35Å; I735-H739 WeakPolarHBondContact O-CB 3.46Å; I735-H739 PolarHBondContact O-N 3.3Å; I735-V740 PolarHBondContact O-N 2.78Å
736	I	96.1	Very high	93.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-48.3	175.6	-66.5	159.6	0	0	0	110.8	T712 F713 F716 F728 I732 G733 E734 V740 P741	T712-I736 HydrophobicContact CG2-CD1 3.42Å; T712-I736 VanDerWaalsContact CG2-CD1 3.42Å; T712-I736 HydrophobicContact CG2-CG1 3.76Å; F713-I736 HydrophobicContact CB-CG2 4.44Å; F713-I736 HydrophobicContact CD2-CG2 4.15Å; F716-I736 HydrophobicContact CB-CG2 3.61Å; F716-I736 HydrophobicContact CD1-CG2 4.01Å; F716-I736 HydrophobicContact CD2-CB 4.37Å; F716-I736 HydrophobicContact CD2-CG2 4.1Å; F716-I736 HydrophobicContact CG-CB 4.39Å; F716-I736 HydrophobicContact CG-CG2 3.65Å; F728-I736 HydrophobicContact CD1-CD1 3.67Å; F728-I736 HydrophobicContact CE1-CD1 3.61Å; I732-I736 HydrophobicContact CG1-CD1 3.94Å; I732-I736 HydrophobicContact CG1-CG1 4.45Å; I732-I736 WeakPolarHBondContact O-CB 3.29Å; I732-I736 VanDerWaalsContact O-CD1 3.31Å; I732-I736 WeakPolarHBondContact O-CD1 3.37Å; I732-I736 WeakPolarHBondContact O-CG1 3.49Å; I732-I736 PolarHBondContact O-N 2.96Å; G733-I736 PolarHBondContact O-N 3.45Å; E734-I736 VanDerWaalsContact C-N 3.35Å; E734-I736 PolarHBondContact O-N 3.18Å; I736-V740 WeakPolarHBondContact O-CB 3.5Å; I736-P741 WeakPolarHBondContact O-CD 3.14Å
737	S	95.1	Very high	93.4	Very high	53 Å²	53	48.2 Å²	48.2	37%	0.371	28%	0.275	S	S	.	.	H	α-helix	trans	-69.6	-39.7	-178.3	53.8	0	0	0	0	113.7	G733 E734	G733-S737 WeakPolarHBondContact O-CB 3.49Å; G733-S737 PolarHBondContact O-N 3.31Å; G733-S737 PolarHBondContact O-OG 3.01Å; E734-S737 WeakPolarHBondContact CA-OG 3.26Å; E734-S737 PolarHBondContact O-N 3.04Å; E734-S737 PolarHBondContact O-OG 3.42Å; E734-S737 VanDerWaalsContact O-OG 3.1Å
738	V	93.1	Very high	93.3	Very high	72 Å²	72	45.6 Å²	45.6	44%	0.436	26%	0.257	S	S	.	.	H	α-helix	trans	-94.9	-32.6	-171.2	179.2	0	0	0	0	113.9	E734 K742	E734-V738 WeakPolarHBondContact O-CB 3.49Å; E734-V738 WeakPolarHBondContact O-CG2 3.39Å; E734-V738 PolarHBondContact O-N 3.15Å; V738-K742 VanDerWaalsContact O-CD 3.28Å; V738-K742 WeakPolarHBondContact O-CD 3.22Å; V738-K742 WeakPolarHBondContact O-CE 3.12Å; V738-K742 PolarHBondContact O-NZ 3.08Å; V738-K742 VanDerWaalsContact O-NZ 3.16Å
739	H	92.5	Very high	93	Very high	31 Å²	31	49.3 Å²	49.3	14%	0.144	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-34.3	-171.3	-66.3	-95.7	0	0	0	113.9	Q575 I735 K742 I743	Q575-H739 PolarHBondContact OE1-NE2 2.8Å; I735-H739 HydrophobicContact CG2-CB 4.35Å; I735-H739 WeakPolarHBondContact O-CB 3.46Å; I735-H739 PolarHBondContact O-N 3.3Å; H739-K742 WeakPolarHBondContact O-CB 3.26Å; H739-K742 PolarHBondContact O-N 3.01Å; H739-K742 VanDerWaalsContact O-N 3.1Å; H739-I743 WeakPolarHBondContact O-CG1 3.35Å; H739-I743 PolarHBondContact O-N 2.87Å; H739-I743 VanDerWaalsContact O-N 3.07Å
740	V	94.4	Very high	92.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-41.3	-178.4	-179.5	0	0	0	0	112.9	H709 F713 I735 I736 K742 I743 L744	H709-V740 HydrophobicContact CB-CG1 3.78Å; H709-V740 WeakPolarHBondContact ND1-CG2 3.33Å; H709-V740 WeakPolarHBondContact O-CG1 3.37Å; F713-V740 HydrophobicContact CB-CG1 3.92Å; I735-V740 PolarHBondContact O-N 2.78Å; I736-V740 WeakPolarHBondContact O-CB 3.5Å; V740-K742 VanDerWaalsContact C-N 3.27Å; V740-K742 PolarHBondContact O-N 3.22Å; V740-I743 PolarHBondContact O-N 3.08Å; V740-I743 VanDerWaalsContact O-N 3.16Å; V740-L744 HydrophobicContact CG1-CD1 3.76Å; V740-L744 HydrophobicContact CG1-CG 4.08Å; V740-L744 WeakPolarHBondContact O-CG 3.35Å; V740-L744 PolarHBondContact O-N 2.93Å
741	P	94.2	Very high	92.8	Very high	46 Å²	46	45.5 Å²	45.5	30%	0.299	26%	0.259	S	S	.	.	H	α-helix	trans	-53.9	-39.5	169.4	-31.9	37.8	0	0	0	114.1	F713 I736 L744 A745	F713-P741 HydrophobicContact CD2-CG 3.92Å; F713-P741 HydrophobicContact CE2-CG 3.44Å; F713-P741 VanDerWaalsContact CE2-CG 3.44Å; F713-P741 HydrophobicContact CZ-CG 3.87Å; I736-P741 WeakPolarHBondContact O-CD 3.14Å; P741-L744 PolarHBondContact O-N 2.93Å; P741-A745 WeakPolarHBondContact O-CB 3.48Å; P741-A745 PolarHBondContact O-N 3.44Å
742	K	91.6	Very high	92.7	Very high	86 Å²	86	44.9 Å²	44.9	37%	0.374	26%	0.257	S	S	.	.	H	α-helix	trans	-66.9	-41.1	178.6	-60.3	173.5	-176.8	158.1	0	111.3	V738 H739 V740 G746 L747	V738-K742 VanDerWaalsContact O-CD 3.28Å; V738-K742 WeakPolarHBondContact O-CD 3.22Å; V738-K742 WeakPolarHBondContact O-CE 3.12Å; V738-K742 PolarHBondContact O-NZ 3.08Å; V738-K742 VanDerWaalsContact O-NZ 3.16Å; H739-K742 WeakPolarHBondContact O-CB 3.26Å; H739-K742 PolarHBondContact O-N 3.01Å; H739-K742 VanDerWaalsContact O-N 3.1Å; V740-K742 VanDerWaalsContact C-N 3.27Å; V740-K742 PolarHBondContact O-N 3.22Å; K742-G746 PolarHBondContact O-N 3.16Å; K742-L747 HydrophobicContact CB-CB 4.22Å; K742-L747 HydrophobicContact CB-CD1 4.32Å; K742-L747 HydrophobicContact CG-CD1 4.34Å; K742-L747 WeakPolarHBondContact O-CA 3.26Å; K742-L747 WeakPolarHBondContact O-CB 3Å; K742-L747 PolarHBondContact O-N 3.22Å
743	I	91.6	Very high	92.6	Very high	19 Å²	19	46.9 Å²	46.9	10%	0.097	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-45.4	174.8	-61.6	165.1	0	0	0	110.5	H739 V740 G746 A748	H739-I743 WeakPolarHBondContact O-CG1 3.35Å; H739-I743 PolarHBondContact O-N 2.87Å; H739-I743 VanDerWaalsContact O-N 3.07Å; V740-I743 PolarHBondContact O-N 3.08Å; V740-I743 VanDerWaalsContact O-N 3.16Å; I743-G746 PolarHBondContact O-N 2.75Å; I743-G746 VanDerWaalsContact O-N 3.15Å; I743-A748 HydrophobicContact CG1-CB 3.99Å
744	L	92.6	Very high	92.3	Very high	32 Å²	32	49.7 Å²	49.7	17%	0.168	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-39.2	-179	-67.1	172.6	0	0	0	112.4	K706 H709 Q710 F713 V740 P741 G746	K706-L744 HydrophobicContact CG-CD2 4.37Å; H709-L744 HydrophobicContact CB-CD2 4.29Å; Q710-L744 HydrophobicContact CB-CD2 4.05Å; F713-L744 HydrophobicContact CB-CD1 4.24Å; F713-L744 HydrophobicContact CD1-CD1 4.42Å; F713-L744 HydrophobicContact CG-CD1 4.45Å; V740-L744 HydrophobicContact CG1-CD1 3.76Å; V740-L744 HydrophobicContact CG1-CG 4.08Å; V740-L744 WeakPolarHBondContact O-CG 3.35Å; V740-L744 PolarHBondContact O-N 2.93Å; P741-L744 PolarHBondContact O-N 2.93Å; L744-G746 PolarHBondContact O-N 2.68Å
745	A	93.1	Very high	90.8	Very high	75 Å²	75	55.4 Å²	55.4	62%	0.62	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-4.5	172.6	0	0	0	0	0	114.2	P741 L747	P741-A745 WeakPolarHBondContact O-CB 3.48Å; P741-A745 PolarHBondContact O-N 3.44Å; A745-L747 HydrophobicContact CB-CG 4.42Å
746	G	90.3	Very high	90.6	Very high	31 Å²	31	57.7 Å²	57.7	32%	0.32	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	12.9	178	0	0	0	0	0	115.2	V655 K742 I743 L744 A748	V655-G746 WeakPolarHBondContact CG2-O 3.4Å; K742-G746 PolarHBondContact O-N 3.16Å; I743-G746 PolarHBondContact O-N 2.75Å; I743-G746 VanDerWaalsContact O-N 3.15Å; L744-G746 PolarHBondContact O-N 2.68Å; G746-A748 PolarHBondContact O-N 2.76Å
747	L	89.6	Confident	90.3	Very high	80 Å²	80	60.7 Å²	60.7	42%	0.419	33%	0.328	S	S	.	.	S	Bend	trans	-74.1	-8	171	-55.8	177.7	0	0	0	112.5	P654 V655 K742 A745	P654-L747 CarbonylContact C-O 3.53Å; P654-L747 WeakPolarHBondContact CA-O 3.46Å; V655-L747 PolarHBondContact N-O 3.37Å; K742-L747 HydrophobicContact CB-CB 4.22Å; K742-L747 HydrophobicContact CB-CD1 4.32Å; K742-L747 HydrophobicContact CG-CD1 4.34Å; K742-L747 WeakPolarHBondContact O-CA 3.26Å; K742-L747 WeakPolarHBondContact O-CB 3Å; K742-L747 PolarHBondContact O-N 3.22Å; A745-L747 HydrophobicContact CB-CG 4.42Å
748	A	89.5	Confident	90.1	Very high	8 Å²	8	61.1 Å²	61.1	7%	0.066	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.8	160.8	0	0	0	0	0	109.7	Q576 I652 I653 I743 G746	Q576-A748 HydrophobicContact CG-CB 4.24Å; I652-A748 HydrophobicContact CG2-CB 3.92Å; I653-A748 CarbonylContact O-C 3.26Å; I653-A748 VanDerWaalsContact O-CA 3.31Å; I653-A748 WeakPolarHBondContact O-CA 3.4Å; I743-A748 HydrophobicContact CG1-CB 3.99Å; G746-A748 PolarHBondContact O-N 2.76Å
749	K	87.6	Confident	89.9	Confident	113 Å²	113	60.5 Å²	60.5	49%	0.491	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.1	-177	-73.5	174.5	-178.1	153	0	110.8	I653 V655	I653-K749 PolarHBondContact N-O 2.88Å; I653-K749 VanDerWaalsContact N-O 3.13Å; I653-K749 PolarHBondContact O-N 3.21Å; V655-K749 HydrophobicContact CG2-CD 3.73Å; V655-K749 VanDerWaalsContact CG2-CE 3.41Å; V655-K749 HydrophobicContact CG2-CG 3.86Å
750	P	91.4	Very high	89.7	Confident	54 Å²	54	62.3 Å²	62.3	35%	0.351	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	135.7	171.9	29.8	-33.2	0	0	0	110.9	S651 Q702 L752	S651-P750 CarbonylContact O-C 3.58Å; S651-P750 VanDerWaalsContact O-CA 3.3Å; S651-P750 WeakPolarHBondContact O-CA 3.4Å; Q702-P750 HydrophobicContact CB-CB 4.47Å; Q702-P750 HydrophobicContact CG-CB 4.09Å; P750-L752 HydrophobicContact CB-CD2 4.25Å; P750-L752 HydrophobicContact CG-CD2 4.42Å; P750-L752 PolarHBondContact O-N 2.79Å
751	I	92.1	Very high	89.4	Confident	41 Å²	41	66.5 Å²	66.5	21%	0.21	35%	0.352	C	S	.	.			trans	-87.5	82.1	172.4	-48.6	178	0	0	0	107.9	S651 I653 F664 R668	S651-I751 PolarHBondContact O-N 2.94Å; I653-I751 HydrophobicContact CD1-CD1 4.02Å; I653-I751 HydrophobicContact CD1-CG1 4.21Å; I653-I751 HydrophobicContact CG1-CD1 4.07Å; I653-I751 HydrophobicContact CG1-CG1 4.03Å; I653-I751 HydrophobicContact CG2-CD1 3.92Å; F664-I751 HydrophobicContact CE1-CD1 3.81Å; F664-I751 HydrophobicContact CZ-CD1 4.43Å; R668-I751 PolarHBondContact NH2-O 2.94Å
752	L	91.7	Very high	89.1	Confident	59 Å²	59	67.9 Å²	67.9	31%	0.309	36%	0.356	S	S	.	.			trans	-62.6	148.4	173.7	-55.5	179.5	0	0	0	111.3	D699 Q702 P750 H754 K755	D699-L752 HydrophobicContact CB-CD2 4.11Å; D699-L752 WeakPolarHBondContact OD1-CA 3.23Å; Q702-L752 HydrophobicContact CB-CD2 4.28Å; Q702-L752 HydrophobicContact CG-CD2 3.73Å; P750-L752 HydrophobicContact CB-CD2 4.25Å; P750-L752 HydrophobicContact CG-CD2 4.42Å; P750-L752 PolarHBondContact O-N 2.79Å; L752-H754 WeakPolarHBondContact CB-O 2.95Å; L752-K755 HydrophobicContact CB-CG 4.29Å
753	F	91.8	Very high	88.9	Confident	48 Å²	48	66.5 Å²	66.5	21%	0.211	35%	0.354	C	S	.	.	S	Bend	trans	-79.7	-34.3	172.1	-69.9	-94.5	0	0	0	111.7	L647 I672 T695 L698 D699	L647-F753 HydrophobicContact CD1-CZ 4.36Å; L647-F753 HydrophobicContact CD2-CZ 4.44Å; I672-F753 HydrophobicContact CD1-CE1 3.8Å; I672-F753 HydrophobicContact CD1-CZ 4.44Å; I672-F753 HydrophobicContact CG1-CE1 3.93Å; I672-F753 HydrophobicContact CG1-CZ 4.42Å; T695-F753 HydrophobicContact CG2-CB 4.45Å; T695-F753 HydrophobicContact CG2-CD1 3.51Å; T695-F753 HydrophobicContact CG2-CD2 4.24Å; T695-F753 HydrophobicContact CG2-CE1 3.67Å; T695-F753 HydrophobicContact CG2-CE2 4.39Å; T695-F753 HydrophobicContact CG2-CG 3.82Å; T695-F753 HydrophobicContact CG2-CZ 4.12Å; L698-F753 HydrophobicContact CB-CD2 4.31Å; L698-F753 HydrophobicContact CB-CE2 4.1Å; L698-F753 HydrophobicContact CD1-CD2 4.46Å; L698-F753 HydrophobicContact CD1-CE2 3.64Å; L698-F753 HydrophobicContact CD1-CZ 4.04Å; L698-F753 HydrophobicContact CG-CE2 4.47Å; D699-F753 PolarHBondContact OD1-N 3.23Å; D699-F753 PolarHBondContact OD2-N 3.36Å
754	H	89.2	Confident	88.6	Confident	66 Å²	66	70.5 Å²	70.5	31%	0.306	38%	0.376	S	S	.	.			trans	-115.2	137.6	177.6	-46.5	89.1	0	0	0	110.4	Y692 T695 D699 L752	Y692-H754 AromaticContact CD2-CD2 3.8Å; Y692-H754 AromaticContact CD2-CE1 3.95Å; Y692-H754 AromaticContact CD2-NE2 3.19Å; Y692-H754 WeakPolarHBondContact CD2-NE2 3.49Å; Y692-H754 AromaticContact CE2-CD2 3.67Å; Y692-H754 AromaticContact CE2-NE2 3.49Å; Y692-H754 WeakPolarHBondContact CE2-NE2 3.05Å; T695-H754 PolarHBondContact OG1-CE1 2.69Å; T695-H754 VanDerWaalsContact OG1-CE1 3.29Å; D699-H754 IonicContact OD2-CE1 2.75Å; D699-H754 IonicContact OD2-CG 2.71Å; D699-H754 PolarHBondContact OD2-N 3.31Å; D699-H754 IonicContact OD2-ND1 3.91Å; D699-H754 PolarHBondContact OD2-ND1 3.02Å; L752-H754 WeakPolarHBondContact CB-O 2.95Å
755	K	64.8	Low	88.3	Confident	239 Å²	239	74 Å²	74	100%	1.039	40%	0.395	S	S	*	.			trans	-144.9	0	176.7	-72.3	-173	178.2	178	0	109.6	L752	L752-K755 HydrophobicContact CB-CG 4.29Å

Retrieved 755 of 755 residues in 132.3 ms (Link to these results)

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