X2JED9_DROME Loading...

6-phosphofructo-2-kinase, isoform N

AlphaFold DB , UniProt , Accession X2JED9, Species DROME (Drosophila melanogaster, Fruit fly), Gene Pfrx, Length 715 aa.

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Loading PAE data...

(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	29.5	Very low	32.3	Very low	255 Å²	255	148.9 Å²	148.9	100%	1.256	87%	0.865	S	S	*	*				0	176.2	0	-73.8	178.9	171.4	0	0	108.7
2	A	31.6	Very low	32.3	Very low	86 Å²	86	145.2 Å²	145.2	71%	0.711	86%	0.864	S	S	*	*			trans	-103.3	154.6	-149.3	0	0	0	0	0	116.8
3	Q	32.5	Very low	32	Very low	183 Å²	183	139.7 Å²	139.7	86%	0.855	86%	0.857	S	S	*	*			trans	56.5	110.6	141.3	-73.4	173.1	-15.9	0	0	121.7
4	S	33.9	Very low	31.6	Very low	105 Å²	105	146.8 Å²	146.8	73%	0.734	86%	0.862	S	S	*	*				50.6	117.9	113.5	174	0	0	0	0	121
5	T	32.7	Very low	31.6	Very low	149 Å²	149	150.3 Å²	150.3	91%	0.914	86%	0.863	S	S	*	*				-163	172.6	120.3	9.1	0	0	0	0	110.9
6	A	32.7	Very low	32.1	Very low	90 Å²	90	148.6 Å²	148.6	74%	0.744	86%	0.859	S	S	*	*			trans	-118.3	160.6	-165.1	0	0	0	0	0	114.4
7	T	31.6	Very low	31.9	Very low	154 Å²	154	150 Å²	150	95%	0.945	86%	0.861	S	S	*	*			trans	-161.3	164.5	149.2	13.2	0	0	0	0	110.9
8	A	29.3	Very low	31.9	Very low	91 Å²	91	151 Å²	151	75%	0.752	86%	0.861	S	S	*	*			trans	-104.9	158.6	-168.9	0	0	0	0	0	114.5
9	P	41.8	Very low	31.8	Very low	122 Å²	122	149.3 Å²	149.3	79%	0.792	86%	0.859	S	S	*	*			trans	-87.3	148.4	172.6	35.1	-33.8	0	0	0	112.9
10	L	30.9	Very low	31.7	Very low	175 Å²	175	147.4 Å²	147.4	92%	0.916	86%	0.856	S	S	*	*			trans	-90.2	137.9	172.4	-80.2	161.8	0	0	0	111.5
11	Y	29.3	Very low	31.7	Very low	228 Å²	228	146.6 Å²	146.6	89%	0.894	85%	0.853	S	S	*	*			trans	-111.2	136.1	165.1	-107.3	-93.5	0	0	0	109.4
12	A	31.9	Very low	31.8	Very low	104 Å²	104	139.9 Å²	139.9	86%	0.86	83%	0.826	S	S	*	*			trans	-121.6	128.5	167.8	0	0	0	0	0	108.5
13	G	28.4	Very low	31.9	Very low	74 Å²	74	141.4 Å²	141.4	76%	0.763	83%	0.827	S	S	*	*			trans	-128.2	162.5	-179	0	0	0	0	0	111.9
14	Y	26.6	Very low	31.8	Very low	239 Å²	239	138.6 Å²	138.6	94%	0.937	82%	0.818	S	S	*	*			trans	-120.5	138.9	172.1	-96.9	-96.4	0	0	0	110.1
15	K	31.4	Very low	31.7	Very low	200 Å²	200	139.5 Å²	139.5	87%	0.87	82%	0.819	S	S	*	*			trans	-136.9	154.6	165.9	-101.9	-170	173.8	-176.2	0	109.2
16	P	39.1	Very low	31.9	Very low	123 Å²	123	140 Å²	140	80%	0.799	82%	0.816	S	S	*	*			trans	-80.2	163.6	-171.1	33.1	-36.4	0	0	0	113.5
17	L	29.5	Very low	33.1	Very low	172 Å²	172	141.1 Å²	141.1	90%	0.901	82%	0.815	S	S	*	*			trans	-81.8	143.5	177.9	-72.8	157.7	0	0	0	112.4
18	I	31.3	Very low	33.2	Very low	168 Å²	168	141.1 Å²	141.1	86%	0.862	81%	0.81	S	S	*	*			trans	-130.5	136	155.9	-63	178.8	0	0	0	106.1
19	S	29.7	Very low	34.5	Very low	118 Å²	118	142 Å²	142	83%	0.825	81%	0.808	S	S	*	*			trans	-100.8	138.4	-175.1	53	0	0	0	0	112.8
20	S	30.3	Very low	34	Very low	112 Å²	112	143.4 Å²	143.4	78%	0.783	81%	0.809	S	S	*	*			trans	-143.3	152.8	171.5	57.8	0	0	0	0	111.9
21	V	31.4	Very low	33.9	Very low	131 Å²	131	143.3 Å²	143.3	79%	0.794	81%	0.806	S	S	*	*			trans	-152.9	99.3	179.4	177.5	0	0	0	0	104.3
22	T	32.9	Very low	34	Very low	114 Å²	114	136.4 Å²	136.4	70%	0.699	80%	0.796	S	S	*	*				57.5	130	83.7	64.4	0	0	0	0	114.6
23	T	32.3	Very low	35.1	Very low	118 Å²	118	136.7 Å²	136.7	72%	0.724	79%	0.789	S	S	*	*			cis	-153.6	-155.8	-16.2	38.2	0	0	0	0	106.7
24	D	30.7	Very low	35.3	Very low	124 Å²	124	138.2 Å²	138.2	66%	0.663	79%	0.788	S	S	*	*			cis	-166	170.1	9.5	-134.4	-49.5	0	0	0	113.5
25	T	31.5	Very low	35.7	Very low	123 Å²	123	134.4 Å²	134.4	76%	0.755	78%	0.783	S	S	*	*			trans	63	130.9	160.3	51.1	0	0	0	0	123.3
26	D	37.3	Very low	35.7	Very low	159 Å²	159	129.8 Å²	129.8	85%	0.85	78%	0.775	S	S	*	*			trans	-90.5	-169.1	169.7	-41.4	-84.8	0	0	0	112.5
27	P	57.1	Low	35.3	Very low	114 Å²	114	132.9 Å²	132.9	74%	0.74	78%	0.779	S	S	*	*			cis	-138.5	176.8	-5.3	42.5	-23.7	0	0	0	117.7
28	D	33.8	Very low	35.5	Very low	154 Å²	154	128 Å²	128	82%	0.824	77%	0.77	S	S	*	*			trans	15.6	162	146.9	-80.2	-19.1	0	0	0	124.3
29	P	58.2	Low	35.6	Very low	109 Å²	109	126.7 Å²	126.7	71%	0.708	77%	0.77	S	S	*	*			cis	-142.6	-171.6	-20.2	36.9	-15.3	0	0	0	116.2
30	D	30.2	Very low	35.9	Very low	153 Å²	153	125.4 Å²	125.4	82%	0.818	77%	0.767	S	S	*	*			trans	86	163.6	144.1	-126.5	-22.5	0	0	0	123.3
31	M	29.3	Very low	35.9	Very low	173 Å²	173	127.5 Å²	127.5	85%	0.852	77%	0.77	S	S	*	*			trans	82	138.1	167.3	-72.4	-75.6	-165	0	0	123.6
32	A	31.9	Very low	36	Very low	83 Å²	83	129.3 Å²	129.3	69%	0.686	77%	0.769	S	S	*	*			trans	-139.2	-174.4	158.5	0	0	0	0	0	107
33	P	54.5	Low	37	Very low	110 Å²	110	128.7 Å²	128.7	71%	0.714	77%	0.767	S	S	*	*			cis	-139.3	-167.2	-2.5	44	-25.3	0	0	0	115
34	S	32.4	Very low	37	Very low	106 Å²	106	131.9 Å²	131.9	74%	0.741	77%	0.774	S	S	*	*			trans	72.9	157.9	151.9	81.2	0	0	0	0	119.3
35	L	34.7	Very low	37.1	Very low	159 Å²	159	135.3 Å²	135.3	83%	0.832	78%	0.783	S	S	*	*			cis	-165.9	-174.2	-8.1	-121.3	173.2	0	0	0	112.1
36	S	32.1	Very low	37	Very low	102 Å²	102	135.4 Å²	135.4	71%	0.713	79%	0.789	S	S	*	*			trans	74.9	146	170.8	70.6	0	0	0	0	117.8
37	E	31	Very low	36.7	Very low	189 Å²	189	136.7 Å²	136.7	88%	0.883	79%	0.789	S	S	*	*			cis	-151.5	139.5	-2	-122.3	162.3	-144.1	0	0	108.6
38	G	32.6	Very low	35.4	Very low	69 Å²	69	141.6 Å²	141.6	71%	0.711	79%	0.793	S	S	*	*				83.2	132.7	94.8	0	0	0	0	0	115.1
39	T	33.2	Very low	35.3	Very low	140 Å²	140	142.4 Å²	142.4	86%	0.859	79%	0.792	S	S	*	*			cis	-168.2	151.5	-4.1	-23.9	0	0	0	0	112.7
40	A	35.9	Very low	33.8	Very low	92 Å²	92	141.1 Å²	141.1	76%	0.76	80%	0.799	S	S	*	*			trans	65.2	150.1	149.6	0	0	0	0	0	121.2
41	D	31.6	Very low	33.8	Very low	156 Å²	156	142.4 Å²	142.4	83%	0.834	80%	0.8	S	S	*	*			cis	-154.2	-178.8	-9.6	-138.2	-39.8	0	0	0	113.8
42	Q	32.5	Very low	33.9	Very low	168 Å²	168	140.3 Å²	140.3	79%	0.785	80%	0.796	S	S	*	*			trans	-102.6	-155.6	-175.8	-58.8	-163	-1.5	0	0	112.8
43	P	53.9	Low	33.8	Very low	102 Å²	102	145.9 Å²	145.9	66%	0.662	81%	0.805	S	S	*	*			cis	-148.6	176.1	-2.3	42.9	-21.2	0	0	0	121.9
44	Q	32.5	Very low	32.5	Very low	185 Å²	185	144.2 Å²	144.2	86%	0.864	81%	0.808	S	S	*	*			trans	109.8	165.4	131.9	-105.6	176.7	47.5	0	0	123.1
45	K	33.3	Very low	32.4	Very low	196 Å²	196	143.6 Å²	143.6	85%	0.852	81%	0.809	S	S	*	*			trans	-116.4	165.2	-160.7	-51.4	169.7	177.9	175.3	0	111.9
46	S	29.8	Very low	32.1	Very low	124 Å²	124	141.6 Å²	141.6	87%	0.867	81%	0.808	S	S	*	*				-171.3	177.4	129.2	46.7	0	0	0	0	112.5
47	Q	31.1	Very low	32.1	Very low	186 Å²	186	141.2 Å²	141.2	87%	0.869	81%	0.806	S	S	*	*			trans	-118	157.4	-172.1	-54.7	160	-70.8	0	0	111
48	R	30.1	Very low	32.1	Very low	218 Å²	218	141.3 Å²	141.3	82%	0.823	81%	0.806	S	S	*	*			trans	169.3	131.7	131.1	-93.7	-174.8	162.6	149.2	5.3	111.1
49	E	29.8	Very low	32	Very low	171 Å²	171	142.1 Å²	142.1	80%	0.799	81%	0.806	S	S	*	*				64	121.6	81.2	-62.5	-177	135.6	0	0	114
50	G	27.9	Very low	31.9	Very low	82 Å²	82	143.2 Å²	143.2	85%	0.845	80%	0.802	S	S	*	*			trans	168.7	115.2	175.1	0	0	0	0	0	112.9
51	E	30.3	Very low	31.8	Very low	180 Å²	180	148.7 Å²	148.7	84%	0.841	80%	0.802	S	S	*	*			trans	-92.2	171.9	178.3	-66.8	-179.6	86.6	0	0	113.2
52	V	30.8	Very low	31.7	Very low	129 Å²	129	147 Å²	147	78%	0.782	80%	0.798	S	S	*	*				141.5	110.9	126.3	177.5	0	0	0	0	115
53	K	30.6	Very low	31.6	Very low	200 Å²	200	149 Å²	149	87%	0.87	80%	0.804	S	S	*	*			trans	-6	145.5	148.8	-55.5	164.5	-176.4	169.3	0	120.8
54	G	27.2	Very low	30.6	Very low	74 Å²	74	148.6 Å²	148.6	76%	0.763	81%	0.81	S	S	*	*			trans	146.8	106.1	156.3	0	0	0	0	0	111.6
55	A	29.2	Very low	30.5	Very low	93 Å²	93	147.6 Å²	147.6	77%	0.769	81%	0.81	S	S	*	*			cis	94.1	132.6	34.4	0	0	0	0	0	114.1
56	S	29.5	Very low	31.6	Very low	117 Å²	117	143.1 Å²	143.1	82%	0.818	80%	0.801	S	S	*	*			trans	62.8	151.6	174.4	36.4	0	0	0	0	117.8
57	S	30.9	Very low	31.7	Very low	95 Å²	95	143.7 Å²	143.7	66%	0.664	80%	0.795	S	S	*	*			cis	-171.6	151.2	-14.3	46.9	0	0	0	0	113
58	E	32	Very low	31.8	Very low	190 Å²	190	142 Å²	142	89%	0.888	79%	0.787	S	S	*	*			trans	67.7	157.8	142.3	-75.6	-171.6	123	0	0	125.4
59	A	30.5	Very low	31.9	Very low	86 Å²	86	138.1 Å²	138.1	71%	0.711	78%	0.781	S	S	*	*			trans	85.4	81.7	144.8	0	0	0	0	0	123.2
60	Q	31.2	Very low	31.9	Very low	164 Å²	164	137.2 Å²	137.2	77%	0.766	78%	0.78	S	S	*	*				62.6	138.9	115.3	-72.5	-164.8	38.4	0	0	124.9
61	R	32.4	Very low	32	Very low	206 Å²	206	138.1 Å²	138.1	78%	0.777	77%	0.774	S	S	*	*			trans	88.8	101.6	135.6	-83.7	177.1	-175.1	-144.6	-4.9	122.9
62	T	30.1	Very low	31.9	Very low	121 Å²	121	134.3 Å²	134.3	74%	0.742	77%	0.773	S	S	*	*				53.7	123.7	123.7	61.5	0	0	0	0	121.6
63	K	30.2	Very low	31.9	Very low	209 Å²	209	133.3 Å²	133.3	91%	0.909	77%	0.772	S	S	*	*				-170.7	169.3	98.6	-102.5	178.1	-179.2	-178.5	0	111.7
64	A	32.9	Very low	31.8	Very low	95 Å²	95	131.6 Å²	131.6	79%	0.785	77%	0.773	S	S	*	*			trans	-122.7	165.2	179.5	0	0	0	0	0	111.4
65	N	30.3	Very low	31.8	Very low	164 Å²	164	133.1 Å²	133.1	88%	0.877	77%	0.772	S	S	*	*			trans	-158.1	151.8	150.9	-133.7	19.4	0	0	0	112.1
66	P	57.7	Low	31.8	Very low	101 Å²	101	133.7 Å²	133.7	66%	0.656	77%	0.77	S	S	*	*			trans	-115.9	179.7	-176.1	42.9	-33.7	0	0	0	114.3
67	N	30.5	Very low	31.7	Very low	137 Å²	137	133 Å²	133	73%	0.733	77%	0.765	S	S	*	*			trans	168.2	159.5	151.1	-89.9	-11.4	0	0	0	110.3
68	Q	34.2	Very low	31.6	Very low	150 Å²	150	135.4 Å²	135.4	70%	0.701	77%	0.769	S	S	*	*			cis	-162.9	140.1	-28	-116.5	-177.3	4.3	0	0	111.3
69	I	31.5	Very low	31.4	Very low	137 Å²	137	132.7 Å²	132.7	70%	0.703	76%	0.76	S	S	*	*			trans	36.4	132.1	134.4	-54.5	167.2	0	0	0	121.8
70	L	29.7	Very low	31.3	Very low	151 Å²	151	135.9 Å²	135.9	79%	0.791	76%	0.761	S	S	*	*				169.4	112.9	125	-86.9	173.4	0	0	0	108.4
71	S	30.1	Very low	31.2	Very low	102 Å²	102	134.8 Å²	134.8	71%	0.713	76%	0.755	S	S	*	*				70.7	138.3	83.2	84	0	0	0	0	114.7
72	A	28.5	Very low	31.1	Very low	100 Å²	100	131.2 Å²	131.2	83%	0.826	75%	0.752	S	S	*	*			cis	-154	-174.3	6.7	0	0	0	0	0	112.4
73	S	30.5	Very low	31.1	Very low	108 Å²	108	133.1 Å²	133.1	76%	0.755	75%	0.752	S	S	*	*			trans	-83.7	160.1	-175.4	54	0	0	0	0	116.2
74	N	27.7	Very low	31.1	Very low	164 Å²	164	128.9 Å²	128.9	88%	0.877	74%	0.74	S	S	*	*			trans	-160.4	173.3	133.4	-107.6	-5.5	0	0	0	112.6
75	S	29.1	Very low	31	Very low	106 Å²	106	131.8 Å²	131.8	74%	0.741	74%	0.737	S	S	*	*			trans	-133.5	-164.1	-161.7	59.1	0	0	0	0	114.3
76	S	28.2	Very low	30.9	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	73%	0.734	S	S	*	*			trans	72.2	99.4	172.9	58.9	0	0	0	0	120.2
77	S	26.5	Very low	29.5	Very low	101 Å²	101	128.8 Å²	128.8	71%	0.706	74%	0.736	S	S	*	*				-0.2	142.7	126.4	55.1	0	0	0	0	120.9
78	I	29.1	Very low	29.4	Very low	147 Å²	147	128.9 Å²	128.9	75%	0.754	74%	0.741	S	S	*	*				177.6	131.8	113.9	-92.7	162.6	0	0	0	112.4
79	D	27.7	Very low	29.2	Very low	132 Å²	132	128.3 Å²	128.3	71%	0.706	74%	0.742	S	S	*	*			trans	36.3	135.2	146.1	-52.1	-30.1	0	0	0	126.9
80	E	30.3	Very low	29.7	Very low	154 Å²	154	127.6 Å²	127.6	72%	0.72	75%	0.747	S	S	*	*				77.8	124.2	128.4	-74.1	-168.1	135.6	0	0	126.8
81	Q	27.9	Very low	29.8	Very low	141 Å²	141	126.2 Å²	126.2	66%	0.659	74%	0.74	S	S	*	*				93.5	135.4	126.9	-76.7	177.8	23.8	0	0	124.5
82	D	30.4	Very low	30.5	Very low	130 Å²	130	127.5 Å²	127.5	70%	0.695	75%	0.746	S	S	*	*			trans	87.5	111.4	139.3	-67.6	10.7	0	0	0	126.6
83	E	31.1	Very low	30.5	Very low	161 Å²	161	130 Å²	130	75%	0.752	74%	0.744	S	S	*	*				83.5	148.6	122.1	-67.3	-78.5	77.3	0	0	124.5
84	D	29.6	Very low	30.4	Very low	121 Å²	121	133.2 Å²	133.2	65%	0.647	75%	0.752	S	S	*	*			trans	66	144.2	157.2	-84.8	-7.4	0	0	0	122.4
85	Q	30.1	Very low	30.3	Very low	155 Å²	155	130 Å²	130	72%	0.724	74%	0.742	S	S	*	*			cis	-167.6	175.9	-28.9	-136.4	-169	92.9	0	0	110.7
86	V	29	Very low	30.3	Very low	134 Å²	134	131.5 Å²	131.5	81%	0.812	74%	0.741	S	S	*	*			trans	67.1	137	174	-162.6	0	0	0	0	114.4
87	G	28.1	Very low	30.1	Very low	68 Å²	68	133.3 Å²	133.3	70%	0.701	74%	0.742	S	S	*	*			cis	169.9	176.1	1.7	0	0	0	0	0	108
88	T	28	Very low	30.3	Very low	139 Å²	139	139.8 Å²	139.8	85%	0.853	75%	0.751	S	S	*	*			cis	-157.6	166.2	0	-61.4	0	0	0	0	109
89	L	29.2	Very low	30.2	Very low	138 Å²	138	144.2 Å²	144.2	72%	0.723	76%	0.758	S	S	*	*			trans	-86.8	173.4	-178.9	-90.4	171.6	0	0	0	113
90	P	42.9	Very low	30.4	Very low	122 Å²	122	144.4 Å²	144.4	79%	0.792	77%	0.765	S	S	*	*			cis	-150.1	165.7	37.8	43.8	-22.1	0	0	0	122.9
91	L	32.5	Very low	30.5	Very low	123 Å²	123	143.1 Å²	143.1	64%	0.644	77%	0.769	S	S	*	*			trans	-50.3	169.5	156.2	-67.1	157.6	0	0	0	114.4
92	P	44.7	Very low	30.6	Very low	129 Å²	129	143 Å²	143	84%	0.838	78%	0.779	S	S	*	*				-136.5	141	86.1	35.9	-22.9	0	0	0	116
93	L	28.8	Very low	30.6	Very low	151 Å²	151	144.6 Å²	144.6	79%	0.791	79%	0.786	S	S	*	*			trans	-87.7	156.2	154.9	-86.3	161.6	0	0	0	109.7
94	L	27.1	Very low	30.7	Very low	176 Å²	176	145.1 Å²	145.1	92%	0.921	79%	0.793	S	S	*	*			trans	-120.4	161.7	162.2	-97.7	171	0	0	0	110.9
95	S	25.5	Very low	31	Very low	96 Å²	96	144.8 Å²	144.8	67%	0.671	80%	0.798	S	S	*	*			trans	-140.2	158.1	-142	-156.2	0	0	0	0	115.3
96	I	29	Very low	31.2	Very low	138 Å²	138	148.3 Å²	148.3	71%	0.708	81%	0.805	S	S	*	*			trans	62.2	115.8	157.5	-67.1	151.1	0	0	0	117.5
97	N	25.1	Very low	31.4	Very low	144 Å²	144	148 Å²	148	77%	0.77	81%	0.805	S	S	*	*				-155.6	138	107	-114.9	-67.9	0	0	0	114.2
98	R	30.2	Very low	31.8	Very low	236 Å²	236	151 Å²	151	89%	0.891	81%	0.809	S	S	*	*			trans	-102.5	132.2	167.3	-76.6	-179.7	171.8	179	-2.6	108.5
99	R	27.8	Very low	32.3	Very low	240 Å²	240	149.5 Å²	149.5	91%	0.906	80%	0.802	S	S	*	*			trans	-137.5	137.1	157.3	-74.5	-167.4	174.9	-172.1	-1.9	110.5
100	T	31.1	Very low	32.7	Very low	137 Å²	137	149.3 Å²	149.3	84%	0.84	81%	0.809	S	S	*	*			trans	-79.7	157.8	171.9	42.4	0	0	0	0	111.1
101	P	33.3	Very low	32.1	Very low	126 Å²	126	148.3 Å²	148.3	82%	0.818	81%	0.805	S	S	*	*			trans	-117	149.5	143.1	33.8	-26.7	0	0	0	112.5
102	T	28.3	Very low	32	Very low	140 Å²	140	147.5 Å²	147.5	86%	0.859	81%	0.81	S	S	*	*			trans	-73.5	155.8	-169.4	-30.9	0	0	0	0	114.3
103	L	32.1	Very low	31.2	Very low	162 Å²	162	148.5 Å²	148.5	85%	0.848	81%	0.814	S	S	*	*			trans	-66.9	136.7	163.9	-73	154.5	0	0	0	112
104	L	32	Very low	31.2	Very low	172 Å²	172	152 Å²	152	90%	0.901	82%	0.816	S	S	*	*			trans	-150.7	161.3	150	-85.8	-167.3	0	0	0	109.7
105	P	37.2	Very low	31.1	Very low	115 Å²	115	153.4 Å²	153.4	75%	0.747	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-98.9	168.1	-144.8	37.3	-38.9	0	0	0	117.6
106	R	33.2	Very low	31.1	Very low	229 Å²	229	153.8 Å²	153.8	86%	0.864	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-64.5	146.1	165.2	-74.5	179.4	169.4	179	-4.2	112.1
107	P	33.1	Very low	31.1	Very low	127 Å²	127	152.5 Å²	152.5	83%	0.825	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-68.8	143.4	153.4	-13.1	29.1	0	0	0	111.3
108	V	35.9	Very low	31.2	Very low	130 Å²	130	150 Å²	150	79%	0.788	81%	0.811	S	S	*	*			trans	-113.7	138.2	168.6	174.9	0	0	0	0	107
109	P	40.2	Very low	31.2	Very low	108 Å²	108	148.3 Å²	148.3	70%	0.701	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-70.2	153.4	-174	28.5	-36.4	0	0	0	112.9
110	P	38	Very low	31.2	Very low	134 Å²	134	142.4 Å²	142.4	87%	0.87	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66	133.3	170.1	29.1	-34.1	0	0	0	110.4
111	S	29.9	Very low	31.2	Very low	102 Å²	102	141.8 Å²	141.8	71%	0.713	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-98.7	138	-173.3	57.1	0	0	0	0	113.5
112	S	30.6	Very low	31.1	Very low	106 Å²	106	142.2 Å²	142.2	74%	0.741	78%	0.779	S	S	*	*			trans	56.2	123.9	146	66.7	0	0	0	0	120.5
113	T	26.8	Very low	31.3	Very low	149 Å²	149	142.8 Å²	142.8	91%	0.914	78%	0.776	S	S	*	*				-130.7	146.4	126.7	-8.2	0	0	0	0	109.4
114	R	28.6	Very low	31	Very low	225 Å²	225	141.3 Å²	141.3	85%	0.849	78%	0.778	S	S	*	*			trans	-80.5	155.9	176.8	-56.2	169	-178.4	156.2	-1.4	109.7
115	F	26.1	Very low	30.9	Very low	205 Å²	205	138.6 Å²	138.6	90%	0.899	77%	0.769	S	S	*	*				-157.4	179.5	120.6	-111.4	-70.8	0	0	0	110.8
116	T	25.8	Very low	30.3	Very low	105 Å²	105	138.1 Å²	138.1	64%	0.644	77%	0.767	S	S	*	*			trans	-123.9	162.7	-158.4	50.1	0	0	0	0	112.3
117	S	28.3	Very low	30.2	Very low	111 Å²	111	131.9 Å²	131.9	78%	0.776	76%	0.759	S	S	*	*			trans	67.8	164.5	156.4	77.8	0	0	0	0	115.5
118	S	27.5	Very low	30	Very low	91 Å²	91	133.2 Å²	133.2	64%	0.636	76%	0.759	S	S	*	*			cis	-173.9	177.3	-28.4	50.4	0	0	0	0	108.4
119	Y	28.6	Very low	29.6	Very low	201 Å²	201	133.4 Å²	133.4	79%	0.788	77%	0.765	S	S	*	*			trans	65.2	113.9	163.2	-82.6	-87.1	0	0	0	119.8
120	N	29.8	Very low	29	Very low	115 Å²	115	132.3 Å²	132.3	62%	0.615	76%	0.764	S	S	*	*				62.9	134.7	115.2	-74.7	51.8	0	0	0	124.6
121	D	30.9	Very low	28.5	Very low	124 Å²	124	136.9 Å²	136.9	66%	0.663	77%	0.766	S	S	*	*				76.5	126.5	128.6	-52.8	-9.7	0	0	0	123.4
122	D	29.8	Very low	28.4	Very low	135 Å²	135	136.1 Å²	136.1	72%	0.722	76%	0.761	S	S	*	*			trans	72.4	120.9	133.1	-73.8	-12.8	0	0	0	124.1
123	L	33.4	Very low	28.4	Very low	153 Å²	153	136.3 Å²	136.3	80%	0.801	76%	0.762	S	S	*	*				30.7	117	122.9	-69.8	158.8	0	0	0	118.1
124	C	25.8	Very low	28.3	Very low	130 Å²	130	139.1 Å²	139.1	88%	0.878	76%	0.761	S	S	*	*			trans	-146.6	154.8	133.8	-144.2	0	0	0	0	113.4
125	T	29	Very low	28.3	Very low	115 Å²	115	133.5 Å²	133.5	71%	0.706	76%	0.757	S	S	*	*			trans	-98.6	157.3	-177.1	49.9	0	0	0	0	111.7
126	C	26.1	Very low	28.3	Very low	106 Å²	106	129.7 Å²	129.7	72%	0.716	76%	0.756	S	S	*	*				153.2	116.2	124	-81.8	0	0	0	0	114.8
127	S	29.6	Very low	28.4	Very low	98 Å²	98	130.2 Å²	130.2	69%	0.685	76%	0.764	S	S	*	*				67.4	136.2	118.8	-50.1	0	0	0	0	122.9
128	N	30.2	Very low	28.3	Very low	154 Å²	154	130.1 Å²	130.1	82%	0.824	76%	0.763	S	S	*	*			trans	68.1	109.6	149	-61.1	-13.8	0	0	0	119.7
129	C	26.9	Very low	28.3	Very low	135 Å²	135	131 Å²	131	91%	0.912	77%	0.769	S	S	*	*				-151.8	139.4	101.9	-122.5	0	0	0	0	111.9
130	A	28.2	Very low	28.3	Very low	84 Å²	84	126.6 Å²	126.6	69%	0.694	77%	0.768	S	S	*	*			trans	-111.3	159.4	163.5	0	0	0	0	0	108
131	Y	26.6	Very low	28.1	Very low	231 Å²	231	125.5 Å²	125.5	91%	0.906	77%	0.774	S	S	*	*			trans	-161.3	170.1	130.6	-125.3	-93.3	0	0	0	112.2
132	S	27.9	Very low	27.9	Very low	86 Å²	86	124.4 Å²	124.4	60%	0.601	78%	0.777	S	S	*	*			trans	-67.8	150.4	-158.5	56.2	0	0	0	0	117.9
133	S	30.2	Very low	27.8	Very low	109 Å²	109	122.9 Å²	122.9	76%	0.762	78%	0.777	S	S	*	*			trans	-36.9	159.7	146.4	49.2	0	0	0	0	116
134	F	24.3	Very low	27.5	Very low	208 Å²	208	121.4 Å²	121.4	91%	0.912	77%	0.774	S	S	*	*			trans	-135	150.5	150.6	-129.3	-89.7	0	0	0	110
135	S	28.6	Very low	27.5	Very low	107 Å²	107	120.4 Å²	120.4	75%	0.748	77%	0.768	S	S	*	*			trans	-124.1	151.8	179.6	55.9	0	0	0	0	111
136	S	27.7	Very low	27.5	Very low	125 Å²	125	120 Å²	120	87%	0.874	77%	0.771	S	S	*	*			trans	-155	155	161	56.7	0	0	0	0	109.8
137	S	27.1	Very low	27.6	Very low	117 Å²	117	119.7 Å²	119.7	82%	0.818	77%	0.77	S	S	*	*			trans	-145.7	137.1	-165.8	52.7	0	0	0	0	112.8
138	S	26.9	Very low	27.5	Very low	109 Å²	109	120.3 Å²	120.3	76%	0.762	77%	0.774	S	S	*	*			trans	-167.8	133.9	162.3	24.1	0	0	0	0	106.9
139	S	27	Very low	27.4	Very low	109 Å²	109	118.7 Å²	118.7	76%	0.762	77%	0.769	S	S	*	*			cis	68.3	129.1	45.7	82.4	0	0	0	0	112.6
140	S	27.6	Very low	27.5	Very low	108 Å²	108	117.2 Å²	117.2	76%	0.755	76%	0.761	S	S	*	*			cis	-169.1	177.7	-2.2	44.9	0	0	0	0	110.7
141	A	26.8	Very low	27.5	Very low	92 Å²	92	117.5 Å²	117.5	76%	0.76	76%	0.763	S	S	*	*			trans	72	158.7	156.7	0	0	0	0	0	118
142	S	26.3	Very low	27.5	Very low	102 Å²	102	113.1 Å²	113.1	71%	0.713	76%	0.761	S	S	*	*			cis	-170.3	-172.8	-27.8	61.5	0	0	0	0	109.5
143	S	27	Very low	27.5	Very low	103 Å²	103	114.2 Å²	114.2	72%	0.72	78%	0.775	S	S	*	*			trans	75.7	162.4	166.8	80.8	0	0	0	0	118
144	T	26.7	Very low	27.4	Very low	122 Å²	122	114.2 Å²	114.2	75%	0.748	78%	0.781	S	S	*	*				-168.8	137.1	-77.6	27.9	0	0	0	0	112.2
145	S	27.4	Very low	27.5	Very low	108 Å²	108	107.7 Å²	107.7	76%	0.755	77%	0.773	S	S	*	*			trans	71.9	160.5	142.8	74.6	0	0	0	0	122.1
146	S	27.7	Very low	27.4	Very low	108 Å²	108	109 Å²	109	76%	0.755	78%	0.777	S	S	*	*			trans	75.8	157	165.9	76.2	0	0	0	0	118.8
147	S	28.6	Very low	27.3	Very low	99 Å²	99	107.2 Å²	107.2	69%	0.692	77%	0.769	S	S	*	*				-177.7	151.9	-66.2	47	0	0	0	0	111.1
148	S	28.6	Very low	27.3	Very low	110 Å²	110	109.8 Å²	109.8	77%	0.769	77%	0.773	S	S	*	*			trans	63.1	161.5	163.9	68.7	0	0	0	0	116.8
149	T	28	Very low	27.2	Very low	120 Å²	120	109 Å²	109	74%	0.736	77%	0.773	S	S	*	*			cis	-156	150.7	3.3	-15.5	0	0	0	0	112.4
150	S	28.1	Very low	27.3	Very low	104 Å²	104	109.6 Å²	109.6	73%	0.727	78%	0.777	S	S	*	*			trans	17.7	131.1	148	62.4	0	0	0	0	124.3
151	A	28.3	Very low	27.2	Very low	90 Å²	90	109.6 Å²	109.6	74%	0.744	78%	0.783	S	S	*	*				-177.7	121.5	119.7	0	0	0	0	0	109.1
152	T	27	Very low	27.2	Very low	140 Å²	140	110.2 Å²	110.2	86%	0.859	79%	0.788	S	S	*	*				66	101.5	58.3	65.8	0	0	0	0	116.8
153	A	28.2	Very low	27.2	Very low	108 Å²	108	110 Å²	110	89%	0.893	79%	0.793	S	S	*	*			trans	-151.2	150.1	152.1	0	0	0	0	0	109
154	A	27.5	Very low	27.2	Very low	109 Å²	109	110.9 Å²	110.9	90%	0.901	80%	0.799	S	S	*	*			trans	-156.5	165.6	-172.9	0	0	0	0	0	113.7
155	G	25.8	Very low	27	Very low	71 Å²	71	109.7 Å²	109.7	73%	0.732	80%	0.802	S	S	*	*			trans	95	149.8	-179.5	0	0	0	0	0	113.1
156	T	27.2	Very low	27	Very low	136 Å²	136	110.9 Å²	110.9	83%	0.834	80%	0.804	S	S	*	*			cis	-153.7	125	-2.7	18.8	0	0	0	0	106.8
157	A	26.5	Very low	26.9	Very low	86 Å²	86	110 Å²	110	71%	0.711	80%	0.804	S	S	*	*				63.6	109.9	81.7	0	0	0	0	0	115.8
158	L	25.4	Very low	26.8	Very low	172 Å²	172	115.4 Å²	115.4	90%	0.901	82%	0.815	S	S	*	*				174.8	151.7	120.6	-96.5	162.4	0	0	0	115.2
159	A	26.7	Very low	26.6	Very low	93 Å²	93	119.1 Å²	119.1	77%	0.769	82%	0.817	S	S	*	*			trans	40.8	126.5	154.4	0	0	0	0	0	120.3
160	S	28.1	Very low	26.4	Very low	121 Å²	121	121.6 Å²	121.6	85%	0.846	83%	0.825	S	S	*	*				-156.5	152.9	62.7	58.1	0	0	0	0	114.4
161	A	25.1	Very low	26.4	Very low	107 Å²	107	120.3 Å²	120.3	88%	0.884	82%	0.82	S	S	*	*			trans	-148.7	109.5	172.6	0	0	0	0	0	112.7
162	A	26.8	Very low	26.3	Very low	105 Å²	105	127 Å²	127	87%	0.868	83%	0.826	S	S	*	*			trans	-173.4	147.9	166.8	0	0	0	0	0	108.7
163	A	26.6	Very low	26.2	Very low	98 Å²	98	125.3 Å²	125.3	81%	0.81	82%	0.82	S	S	*	*			cis	-165.3	150.1	-19.2	0	0	0	0	0	109.2
164	S	26.3	Very low	26	Very low	122 Å²	122	127.1 Å²	127.1	85%	0.853	82%	0.82	S	S	*	*			trans	-171.6	127.7	140.1	-170.3	0	0	0	0	110.5
165	A	23.8	Very low	26	Very low	97 Å²	97	127.7 Å²	127.7	80%	0.802	81%	0.812	S	S	*	*			trans	-157.4	111.6	171.1	0	0	0	0	0	110.2
166	V	26	Very low	26.1	Very low	133 Å²	133	129 Å²	129	81%	0.806	82%	0.816	S	S	*	*			trans	-141.3	107.7	176.3	-178.5	0	0	0	0	111.3
167	A	27	Very low	26.1	Very low	90 Å²	90	129.9 Å²	129.9	74%	0.744	82%	0.821	S	S	*	*			trans	64.9	154	154.9	0	0	0	0	0	118.4
168	K	25.7	Very low	26.1	Very low	212 Å²	212	131 Å²	131	92%	0.922	83%	0.825	S	S	*	*			cis	-143.8	164.7	-3.3	-134.3	161.4	-172	172.9	0	111.4
169	K	24	Very low	26.3	Very low	187 Å²	187	130.8 Å²	130.8	81%	0.813	82%	0.822	S	S	*	*			trans	-115.5	142	-165.7	168.9	-174.7	-179.8	177.9	0	111.1
170	L	25.4	Very low	26.4	Very low	173 Å²	173	134 Å²	134	91%	0.906	82%	0.823	S	S	*	*			trans	-139.9	150	154.7	-138.8	78.7	0	0	0	110.5
171	A	26.3	Very low	26.3	Very low	76 Å²	76	135 Å²	135	63%	0.628	82%	0.82	S	S	*	*			trans	-123.4	164.3	174.2	0	0	0	0	0	107.7
172	R	26.5	Very low	26.2	Very low	231 Å²	231	137.4 Å²	137.4	87%	0.872	81%	0.814	S	S	*	*			cis	-155.7	148.5	48.9	-77.7	170	163.2	142.9	-9.5	108.2
173	S	25	Very low	27.1	Very low	104 Å²	104	136.2 Å²	136.2	73%	0.727	80%	0.797	S	S	*	*				54.1	105.3	74.1	-173	0	0	0	0	115.4
174	V	25.5	Very low	27.2	Very low	147 Å²	147	141.4 Å²	141.4	89%	0.891	80%	0.797	S	S	*	*			trans	-143.8	144.1	155.6	-179.9	0	0	0	0	106.9
175	T	26.2	Very low	27.3	Very low	121 Å²	121	141.6 Å²	141.6	74%	0.742	79%	0.789	S	S	*	*			trans	-121	136.2	-174.8	48.9	0	0	0	0	113.3
176	A	28.7	Very low	27.5	Very low	99 Å²	99	142.7 Å²	142.7	82%	0.818	79%	0.786	S	S	*	*			trans	38.1	127	146.7	0	0	0	0	0	121.5
177	T	26.8	Very low	27.5	Very low	153 Å²	153	141.7 Å²	141.7	94%	0.939	79%	0.785	S	S	*	*			trans	-140.6	155.3	146.9	18.9	0	0	0	0	109.9
178	S	27.3	Very low	27.7	Very low	111 Å²	111	143.6 Å²	143.6	78%	0.776	79%	0.79	S	S	*	*			trans	-126.7	151.5	-177.4	-175.9	0	0	0	0	110.6
179	I	29.3	Very low	27.7	Very low	166 Å²	166	139.1 Å²	139.1	85%	0.851	79%	0.785	S	S	*	*			trans	-138.5	145.4	175.5	-60.3	-176.9	0	0	0	108.4
180	M	27.2	Very low	27.8	Very low	160 Å²	160	138.7 Å²	138.7	79%	0.788	79%	0.791	S	S	*	*			trans	-106.9	159.7	-169	-61.5	170.4	163.2	0	0	113.5
181	D	26.4	Very low	28	Very low	144 Å²	144	142 Å²	142	77%	0.77	79%	0.791	S	S	*	*			trans	56.4	150.2	139	-68.4	4.8	0	0	0	121
182	M	24.6	Very low	27.9	Very low	157 Å²	157	144.1 Å²	144.1	77%	0.773	80%	0.796	S	S	*	*			cis	-175.7	-156.3	-3.6	-108	-71.4	-122	0	0	106.8
183	P	45.2	Very low	27.9	Very low	79 Å²	79	144 Å²	144	51%	0.513	80%	0.796	S	S	.	*			cis	-130.1	179.8	-47.9	30.5	-10.5	0	0	0	115.1
184	Y	28.7	Very low	28.1	Very low	207 Å²	207	146 Å²	146	81%	0.812	80%	0.804	S	S	*	*			trans	72.7	152.6	155.9	-63	-53.1	0	0	0	120.1
185	N	27.5	Very low	28.4	Very low	126 Å²	126	143.9 Å²	143.9	67%	0.674	79%	0.791	S	S	*	*			cis	-151.6	169	3.9	-142.4	-12.6	0	0	0	116.5
186	T	27.6	Very low	28.9	Very low	120 Å²	120	141 Å²	141	74%	0.736	78%	0.776	S	S	*	*			trans	62.3	120.4	153.8	45.3	0	0	0	0	122.3
187	S	27.5	Very low	29.3	Very low	112 Å²	112	143 Å²	143	78%	0.783	77%	0.772	S	S	*	*			trans	-86.4	175.3	152.3	-43	0	0	0	0	111.6
188	P	31.4	Very low	29.7	Very low	131 Å²	131	142 Å²	142	85%	0.851	76%	0.761	S	S	*	*				-138	168.3	103.9	39.1	-29.3	0	0	0	114.4
189	S	25.9	Very low	30.1	Very low	117 Å²	117	142.9 Å²	142.9	82%	0.818	75%	0.753	S	S	*	*			trans	-94.8	144.7	-175	56.1	0	0	0	0	114
190	L	25.1	Very low	30.5	Very low	178 Å²	178	139.9 Å²	139.9	93%	0.932	74%	0.738	S	S	*	*			trans	-129.5	140.7	162.1	-95	167.4	0	0	0	109.7
191	R	29.1	Very low	31	Very low	242 Å²	242	139 Å²	139	91%	0.913	73%	0.73	S	S	*	*			trans	-134.5	96.7	-164.5	-175	-171.1	-166.1	174.4	6.4	110.9
192	V	25	Very low	31.5	Very low	122 Å²	122	139.2 Å²	139.2	74%	0.739	72%	0.724	S	S	*	*			trans	-133	115.9	179.3	-176.4	0	0	0	0	111.9
193	R	25.7	Very low	32.1	Very low	228 Å²	228	136 Å²	136	86%	0.86	71%	0.713	S	S	*	*			trans	35.4	113.4	152.1	-61.4	176.5	178.5	143.4	0.9	118.9	T195	R193-T195 PolarHBondContact O-N 3.3Å; R193-T195 VanDerWaalsContact O-N 3.14Å
194	T	30.2	Very low	32	Very low	147 Å²	147	134.5 Å²	134.5	90%	0.902	71%	0.707	S	S	*	*			trans	-67	98.7	159.5	49	0	0	0	0	111.6
195	T	31.5	Very low	32.6	Very low	102 Å²	102	128.2 Å²	128.2	63%	0.626	69%	0.688	S	S	*	*			trans	-76.5	150.2	153.5	42.1	0	0	0	0	109.3	R193 L197	R193-T195 PolarHBondContact O-N 3.3Å; R193-T195 VanDerWaalsContact O-N 3.14Å; T195-L197 PolarHBondContact O-N 2.6Å
196	S	37	Very low	33.1	Very low	59 Å²	59	126.5 Å²	126.5	41%	0.413	68%	0.678	S	S	.	*			trans	-72.2	129.1	-172.5	69.2	0	0	0	0	112.1	N198 Q199	S196-N198 PolarHBondContact O-N 2.83Å; S196-N198 VanDerWaalsContact O-N 3.09Å; S196-Q199 PolarHBondContact O-N 2.87Å; S196-Q199 WeakPolarHBondContact OG-CG 3.36Å; S196-Q199 PolarHBondContact OG-OE1 3.29Å
197	L	36.6	Very low	33.7	Very low	141 Å²	141	123.4 Å²	123.4	74%	0.738	67%	0.665	S	S	*	*	H	α-helix	trans	-51	-33.8	174.7	-89.8	158.8	0	0	0	112.7	T195 Q199 L200 K201	T195-L197 PolarHBondContact O-N 2.6Å; L197-Q199 VanDerWaalsContact C-N 3.29Å; L197-Q199 PolarHBondContact O-N 3.01Å; L197-L200 PolarHBondContact O-N 3.4Å; L197-K201 PolarHBondContact O-N 2.84Å
198	N	36.2	Very low	34.4	Very low	134 Å²	134	122.1 Å²	122.1	72%	0.717	65%	0.648	S	S	*	*	H	α-helix	trans	-65	-27.4	179.4	-64.9	-2.5	0	0	0	113.6	S196 K202	S196-N198 PolarHBondContact O-N 2.83Å; S196-N198 VanDerWaalsContact O-N 3.09Å; N198-K202 WeakPolarHBondContact O-CB 3.46Å; N198-K202 PolarHBondContact O-N 2.91Å
199	Q	34.6	Very low	34.8	Very low	128 Å²	128	121.4 Å²	121.4	60%	0.598	63%	0.634	S	S	*	*	H	α-helix	trans	-75.7	-46.5	173.3	-79.2	176.6	-37.2	0	0	111.3	S196 L197 K201 K202 T203	S196-Q199 PolarHBondContact O-N 2.87Å; S196-Q199 WeakPolarHBondContact OG-CG 3.36Å; S196-Q199 PolarHBondContact OG-OE1 3.29Å; L197-Q199 VanDerWaalsContact C-N 3.29Å; L197-Q199 PolarHBondContact O-N 3.01Å; Q199-K201 VanDerWaalsContact C-N 3.28Å; Q199-K201 PolarHBondContact O-N 2.78Å; Q199-K202 PolarHBondContact O-N 2.94Å; Q199-T203 PolarHBondContact O-N 3.46Å; Q199-T203 PolarHBondContact O-OG1 3.19Å; Q199-T203 VanDerWaalsContact O-OG1 3.11Å
200	L	36.9	Very low	35.5	Very low	103 Å²	103	121.5 Å²	121.5	54%	0.539	63%	0.625	S	S	.	*	H	α-helix	trans	-58.1	-41.4	176.5	-82.1	164.8	0	0	0	111.8	L197 T203 A204	L197-L200 PolarHBondContact O-N 3.4Å; L200-T203 WeakPolarHBondContact CA-OG1 3.4Å; L200-T203 PolarHBondContact O-N 3.33Å; L200-T203 PolarHBondContact O-OG1 3.24Å; L200-A204 PolarHBondContact O-N 2.62Å
201	K	39	Very low	36.3	Very low	142 Å²	142	118 Å²	118	62%	0.617	60%	0.603	S	S	*	*	H	α-helix	trans	-60.8	-53.4	174.8	-144.3	-177	-175	-166.5	0	110.8	L197 Q199 T203 A204 D205	L197-K201 PolarHBondContact O-N 2.84Å; Q199-K201 VanDerWaalsContact C-N 3.28Å; Q199-K201 PolarHBondContact O-N 2.78Å; K201-T203 VanDerWaalsContact C-N 3.26Å; K201-T203 PolarHBondContact O-N 3.14Å; K201-A204 CarbonylContact O-C 3.58Å; K201-A204 WeakPolarHBondContact O-CA 3.33Å; K201-A204 WeakPolarHBondContact O-CB 3.44Å; K201-A204 PolarHBondContact O-N 3.02Å; K201-D205 VanDerWaalsContact C-OD2 3.29Å; K201-D205 PolarHBondContact O-N 2.93Å; K201-D205 VanDerWaalsContact O-OD2 3.06Å
202	K	36.8	Very low	36.9	Very low	149 Å²	149	111 Å²	111	65%	0.648	58%	0.584	S	S	*	*	H	α-helix	trans	-59.3	-33.3	-179.9	-136.5	178.8	-172.8	-172.8	0	113.8	N198 Q199 L206	N198-K202 WeakPolarHBondContact O-CB 3.46Å; N198-K202 PolarHBondContact O-N 2.91Å; Q199-K202 PolarHBondContact O-N 2.94Å; K202-L206 WeakPolarHBondContact O-CB 3.4Å; K202-L206 WeakPolarHBondContact O-CD1 3.32Å; K202-L206 VanDerWaalsContact O-CG 3.25Å; K202-L206 WeakPolarHBondContact O-CG 2.99Å; K202-L206 PolarHBondContact O-N 2.73Å; K202-L206 VanDerWaalsContact O-N 3.1Å
203	T	37.5	Very low	37.6	Very low	89 Å²	89	113.3 Å²	113.3	55%	0.546	59%	0.586	S	S	.	*	H	α-helix	trans	-74.5	-30.4	173.3	46.7	0	0	0	0	113.6	Q199 L200 K201 A207	Q199-T203 PolarHBondContact O-N 3.46Å; Q199-T203 PolarHBondContact O-OG1 3.19Å; Q199-T203 VanDerWaalsContact O-OG1 3.11Å; L200-T203 WeakPolarHBondContact CA-OG1 3.4Å; L200-T203 PolarHBondContact O-N 3.33Å; L200-T203 PolarHBondContact O-OG1 3.24Å; K201-T203 VanDerWaalsContact C-N 3.26Å; K201-T203 PolarHBondContact O-N 3.14Å; T203-A207 WeakPolarHBondContact O-CB 3.38Å; T203-A207 PolarHBondContact O-N 2.83Å; T203-A207 VanDerWaalsContact O-N 3.13Å
204	A	42.9	Very low	38.2	Very low	47 Å²	47	105.4 Å²	105.4	39%	0.388	56%	0.563	S	S	.	*	H	α-helix	trans	-73.3	-45.3	173	0	0	0	0	0	111	L200 K201 L206 A207 I208	L200-A204 PolarHBondContact O-N 2.62Å; K201-A204 CarbonylContact O-C 3.58Å; K201-A204 WeakPolarHBondContact O-CA 3.33Å; K201-A204 WeakPolarHBondContact O-CB 3.44Å; K201-A204 PolarHBondContact O-N 3.02Å; A204-L206 VanDerWaalsContact C-N 3.34Å; A204-L206 PolarHBondContact O-N 2.96Å; A204-A207 WeakPolarHBondContact O-CB 3.5Å; A204-A207 PolarHBondContact O-N 2.93Å; A204-A207 VanDerWaalsContact O-N 3.07Å; A204-I208 WeakPolarHBondContact O-CD1 3.42Å; A204-I208 VanDerWaalsContact O-CG1 3.3Å; A204-I208 WeakPolarHBondContact O-CG1 3.3Å; A204-I208 PolarHBondContact O-N 2.81Å
205	D	39.9	Very low	38.5	Very low	76 Å²	76	102.3 Å²	102.3	41%	0.406	55%	0.547	S	S	.	.	H	α-helix	trans	-56.8	-47.2	176.5	-54.6	-33.4	0	0	0	110.3	K201 A207 I208 E209	K201-D205 VanDerWaalsContact C-OD2 3.29Å; K201-D205 PolarHBondContact O-N 2.93Å; K201-D205 VanDerWaalsContact O-OD2 3.06Å; D205-A207 PolarHBondContact O-N 2.96Å; D205-I208 PolarHBondContact O-N 2.72Å; D205-E209 PolarHBondContact O-N 3.5Å
206	L	39.2	Very low	39.1	Very low	90 Å²	90	101.9 Å²	101.9	47%	0.471	55%	0.546	S	S	.	.	H	α-helix	trans	-66.6	-29.8	174.9	-75.6	167.8	0	0	0	114	K202 A204 N210	K202-L206 WeakPolarHBondContact O-CB 3.4Å; K202-L206 WeakPolarHBondContact O-CD1 3.32Å; K202-L206 VanDerWaalsContact O-CG 3.25Å; K202-L206 WeakPolarHBondContact O-CG 2.99Å; K202-L206 PolarHBondContact O-N 2.73Å; K202-L206 VanDerWaalsContact O-N 3.1Å; A204-L206 VanDerWaalsContact C-N 3.34Å; A204-L206 PolarHBondContact O-N 2.96Å; L206-N210 PolarHBondContact O-N 3.11Å; L206-N210 PolarHBondContact O-ND2 2.61Å
207	A	39.3	Very low	39.5	Very low	55 Å²	55	103.8 Å²	103.8	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-71	-40.3	174.1	0	0	0	0	0	111	T203 A204 D205 N210 E211	T203-A207 WeakPolarHBondContact O-CB 3.38Å; T203-A207 PolarHBondContact O-N 2.83Å; T203-A207 VanDerWaalsContact O-N 3.13Å; A204-A207 WeakPolarHBondContact O-CB 3.5Å; A204-A207 PolarHBondContact O-N 2.93Å; A204-A207 VanDerWaalsContact O-N 3.07Å; D205-A207 PolarHBondContact O-N 2.96Å; A207-N210 PolarHBondContact O-N 2.93Å; A207-E211 PolarHBondContact O-N 3.11Å
208	I	43.6	Very low	39.8	Very low	84 Å²	84	102.4 Å²	102.4	43%	0.431	56%	0.556	S	S	.	*	H	α-helix	trans	-63.5	-43.1	177.3	-69.1	162.4	0	0	0	111.1	A204 D205 N210 E211 L212	A204-I208 WeakPolarHBondContact O-CD1 3.42Å; A204-I208 VanDerWaalsContact O-CG1 3.3Å; A204-I208 WeakPolarHBondContact O-CG1 3.3Å; A204-I208 PolarHBondContact O-N 2.81Å; D205-I208 PolarHBondContact O-N 2.72Å; I208-N210 VanDerWaalsContact C-N 3.26Å; I208-N210 PolarHBondContact O-N 2.81Å; I208-E211 PolarHBondContact O-N 3.47Å; I208-L212 HydrophobicContact CG2-CD1 3.88Å; I208-L212 WeakPolarHBondContact O-CB 3.42Å; I208-L212 PolarHBondContact O-N 2.97Å
209	E	38.9	Very low	40.4	Very low	117 Å²	117	96.7 Å²	96.7	55%	0.547	53%	0.525	S	S	.	.	H	α-helix	trans	-60.8	-32.4	175.2	-73.9	-178.7	154.9	0	0	113.4	D205 H213	D205-E209 PolarHBondContact O-N 3.5Å; E209-H213 PolarHBondContact O-ND1 2.85Å; E209-H213 VanDerWaalsContact O-ND1 3.07Å
210	N	39.8	Very low	41.3	Very low	119 Å²	119	93.3 Å²	93.3	64%	0.636	52%	0.516	S	S	*	.	H	α-helix	trans	-79.4	-37.3	177.5	-79.3	-80	0	0	0	112.6	L206 A207 I208	L206-N210 PolarHBondContact O-N 3.11Å; L206-N210 PolarHBondContact O-ND2 2.61Å; A207-N210 PolarHBondContact O-N 2.93Å; I208-N210 VanDerWaalsContact C-N 3.26Å; I208-N210 PolarHBondContact O-N 2.81Å
211	E	43.1	Very low	41.7	Very low	103 Å²	103	93.8 Å²	93.8	48%	0.481	52%	0.515	S	S	.	.	H	α-helix	trans	-73.9	-25.7	173.6	-72.9	-161.2	165.6	0	0	113.3	A207 I208 H213 V214 L223	A207-E211 PolarHBondContact O-N 3.11Å; I208-E211 PolarHBondContact O-N 3.47Å; E211-H213 PolarHBondContact O-N 2.83Å; E211-H213 VanDerWaalsContact O-N 3.12Å; E211-V214 WeakPolarHBondContact O-CB 3.47Å; E211-V214 WeakPolarHBondContact O-CG2 3.46Å; E211-V214 PolarHBondContact O-N 3.04Å; E211-L223 HydrophobicContact CB-CD2 4.24Å
212	L	41.6	Very low	41.9	Very low	95 Å²	95	94.4 Å²	94.4	50%	0.497	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-14	173.8	-93.8	161.5	0	0	0	114.4	I208 L227	I208-L212 HydrophobicContact CG2-CD1 3.88Å; I208-L212 WeakPolarHBondContact O-CB 3.42Å; I208-L212 PolarHBondContact O-N 2.97Å; L212-L227 HydrophobicContact CD2-CD2 3.68Å
213	H	39.3	Very low	42.4	Very low	171 Å²	171	89.2 Å²	89.2	79%	0.792	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	2.1	173.3	-77.4	83.7	0	0	0	113.8	E209 E211	E209-H213 PolarHBondContact O-ND1 2.85Å; E209-H213 VanDerWaalsContact O-ND1 3.07Å; E211-H213 PolarHBondContact O-N 2.83Å; E211-H213 VanDerWaalsContact O-N 3.12Å
214	V	37.8	Very low	42.8	Very low	63 Å²	63	89.2 Å²	89.2	38%	0.382	49%	0.489	S	S	.	.	S	Bend	trans	-92.1	142.6	-178.7	-177	0	0	0	0	111	E211 V218	E211-V214 WeakPolarHBondContact O-CB 3.47Å; E211-V214 WeakPolarHBondContact O-CG2 3.46Å; E211-V214 PolarHBondContact O-N 3.04Å; V214-V218 HydrophobicContact CG1-CB 3.8Å; V214-V218 HydrophobicContact CG1-CG1 4.45Å; V214-V218 HydrophobicContact CG1-CG2 4.19Å
215	C	36.5	Very low	42.9	Very low	82 Å²	82	92.6 Å²	92.6	55%	0.554	50%	0.495	S	S	*	.			trans	-56.2	138.6	178.4	-64.9	0	0	0	0	112.2	S217 V218	C215-S217 PolarHBondContact O-N 3.34Å; C215-V218 PolarHBondContact O-N 2.94Å
216	P	44.2	Very low	43.1	Very low	93 Å²	93	95.6 Å²	95.6	60%	0.604	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.2	-175.4	-29.2	35.6	0	0	0	115.9	V218 R224	P216-V218 VanDerWaalsContact C-N 3.27Å; P216-V218 PolarHBondContact O-N 2.8Å; P216-R224 PolarHBondContact O-NE 3.31Å; P216-R224 PolarHBondContact O-NH2 3.39Å
217	S	44.8	Very low	43.2	Very low	99 Å²	99	93.9 Å²	93.9	69%	0.692	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.7	174.7	46.8	0	0	0	0	114	C215 R224	C215-S217 PolarHBondContact O-N 3.34Å; S217-R224 PolarHBondContact O-NH2 3.47Å
218	V	44.1	Very low	43.4	Very low	111 Å²	111	94 Å²	94	67%	0.673	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-10.4	-172.9	-157	0	0	0	0	113	V214 C215 P216	V214-V218 HydrophobicContact CG1-CB 3.8Å; V214-V218 HydrophobicContact CG1-CG1 4.45Å; V214-V218 HydrophobicContact CG1-CG2 4.19Å; C215-V218 PolarHBondContact O-N 2.94Å; P216-V218 VanDerWaalsContact C-N 3.27Å; P216-V218 PolarHBondContact O-N 2.8Å
219	M	47.8	Very low	43.9	Very low	15 Å²	15	90.6 Å²	90.6	7%	0.074	48%	0.481	C	S	.	.	S	Bend	trans	-73.6	154.2	-175.7	-56.6	-171	86.5	0	0	113.6	L223 R224 L227	M219-L223 HydrophobicContact CE-CB 4.41Å; M219-L223 HydrophobicContact CE-CD2 3.84Å; M219-R224 HydrophobicContact CB-CG 4.32Å; M219-R224 PolarHBondContact O-NH1 3.41Å; M219-R224 PolarHBondContact O-NH2 2.84Å; M219-R224 VanDerWaalsContact O-NH2 3.14Å; M219-L227 HydrophobicContact CE-CD1 4.47Å; M219-L227 HydrophobicContact SD-CD1 3.9Å
220	S	53.3	Low	44.1	Very low	57 Å²	57	90 Å²	90	40%	0.399	49%	0.485	S	S	.	.			trans	-73.8	153.4	178	77.9	0	0	0	0	113	E222 L223 R224	S220-E222 PolarHBondContact O-N 2.84Å; S220-E222 VanDerWaalsContact O-N 3.13Å; S220-L223 PolarHBondContact O-N 3.04Å; S220-L223 PolarHBondContact OG-N 3.29Å; S220-R224 WeakPolarHBondContact O-CG 3.26Å; S220-R224 PolarHBondContact O-N 2.98Å
221	E	46.4	Very low	44.2	Very low	113 Å²	113	84.6 Å²	84.6	53%	0.528	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-9.1	-176.8	-158	62.3	-170.3	0	0	114.1	R224 K225	E221-R224 IonicContact OE2-CZ 2.74Å; E221-R224 IonicContact OE2-NH1 2.87Å; E221-R224 PolarHBondContact OE2-NH1 3.27Å; E221-K225 VanDerWaalsContact O-CD 3.28Å; E221-K225 WeakPolarHBondContact O-CD 3.38Å; E221-K225 WeakPolarHBondContact O-CE 3.33Å; E221-K225 WeakPolarHBondContact O-CG 3.04Å; E221-K225 PolarHBondContact O-NZ 3.48Å
222	E	43.5	Very low	44	Very low	154 Å²	154	88.8 Å²	88.8	72%	0.72	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-38.6	171	-66.7	-173.2	126.6	0	0	111.4	S220 R224 K225 L226	S220-E222 PolarHBondContact O-N 2.84Å; S220-E222 VanDerWaalsContact O-N 3.13Å; E222-R224 VanDerWaalsContact C-N 3.34Å; E222-R224 PolarHBondContact O-N 2.65Å; E222-K225 PolarHBondContact O-N 2.95Å; E222-L226 PolarHBondContact O-N 3.21Å
223	L	45.8	Very low	43.7	Very low	40 Å²	40	85.8 Å²	85.8	21%	0.209	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-63.4	-38.8	170.3	-100.1	80.1	0	0	0	111.9	E211 M219 S220 K225 L226 L227	E211-L223 HydrophobicContact CB-CD2 4.24Å; M219-L223 HydrophobicContact CE-CB 4.41Å; M219-L223 HydrophobicContact CE-CD2 3.84Å; S220-L223 PolarHBondContact O-N 3.04Å; S220-L223 PolarHBondContact OG-N 3.29Å; L223-K225 PolarHBondContact O-N 3.09Å; L223-K225 VanDerWaalsContact O-N 3.13Å; L223-L226 WeakPolarHBondContact O-CB 3.29Å; L223-L226 PolarHBondContact O-N 3.24Å; L223-L227 PolarHBondContact O-N 3.47Å; L223-L227 VanDerWaalsContact O-N 3.1Å
224	R	47.6	Very low	43.9	Very low	90 Å²	90	78.2 Å²	78.2	34%	0.34	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-57.3	-26.7	175	-74.8	-174.3	-175.2	125.4	4.9	113.9	P216 S217 M219 S220 E221 E222	P216-R224 PolarHBondContact O-NE 3.31Å; P216-R224 PolarHBondContact O-NH2 3.39Å; S217-R224 PolarHBondContact O-NH2 3.47Å; M219-R224 HydrophobicContact CB-CG 4.32Å; M219-R224 PolarHBondContact O-NH1 3.41Å; M219-R224 PolarHBondContact O-NH2 2.84Å; M219-R224 VanDerWaalsContact O-NH2 3.14Å; S220-R224 WeakPolarHBondContact O-CG 3.26Å; S220-R224 PolarHBondContact O-N 2.98Å; E221-R224 IonicContact OE2-CZ 2.74Å; E221-R224 IonicContact OE2-NH1 2.87Å; E221-R224 PolarHBondContact OE2-NH1 3.27Å; E222-R224 VanDerWaalsContact C-N 3.34Å; E222-R224 PolarHBondContact O-N 2.65Å
225	K	44.8	Very low	44.1	Very low	118 Å²	118	81.3 Å²	81.3	51%	0.513	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-85.8	-13.1	176.9	-66.3	166.9	-171.2	137.7	0	113.4	E221 E222 L223	E221-K225 VanDerWaalsContact O-CD 3.28Å; E221-K225 WeakPolarHBondContact O-CD 3.38Å; E221-K225 WeakPolarHBondContact O-CE 3.33Å; E221-K225 WeakPolarHBondContact O-CG 3.04Å; E221-K225 PolarHBondContact O-NZ 3.48Å; E222-K225 PolarHBondContact O-N 2.95Å; L223-K225 PolarHBondContact O-N 3.09Å; L223-K225 VanDerWaalsContact O-N 3.13Å
226	L	43.2	Very low	44.8	Very low	139 Å²	139	78.1 Å²	78.1	73%	0.728	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-24.7	174	-63.1	175.1	0	0	0	112.1	E222 L223	E222-L226 PolarHBondContact O-N 3.21Å; L223-L226 WeakPolarHBondContact O-CB 3.29Å; L223-L226 PolarHBondContact O-N 3.24Å
227	L	41.4	Very low	45.2	Very low	53 Å²	53	81.2 Å²	81.2	28%	0.277	42%	0.422	S	S	.	.	S	Bend	trans	-62.6	146.3	167.5	-67.5	-179.2	0	0	0	110.9	L212 M219 L223	L212-L227 HydrophobicContact CD2-CD2 3.68Å; M219-L227 HydrophobicContact CE-CD1 4.47Å; M219-L227 HydrophobicContact SD-CD1 3.9Å; L223-L227 PolarHBondContact O-N 3.47Å; L223-L227 VanDerWaalsContact O-N 3.1Å
228	P	44.3	Very low	45.7	Very low	58 Å²	58	78.2 Å²	78.2	38%	0.377	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-61.4	136.9	168	28.4	-34.9	0	0	0	108.9	T230 D327	P228-T230 PolarHBondContact O-N 3.3Å; P228-D327 WeakPolarHBondContact CB-OD2 3.17Å
229	P	54	Low	46.7	Very low	13 Å²	13	73.3 Å²	73.3	8%	0.084	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-57	118.2	-177.2	23.1	-34	0	0	0	110.7	S231 R285 Y292	P229-S231 PolarHBondContact O-N 2.96Å; P229-R285 PolarHBondContact O-NH2 2.83Å; P229-Y292 HydrophobicContact CG-CD1 3.86Å; P229-Y292 HydrophobicContact CG-CD2 3.71Å; P229-Y292 HydrophobicContact CG-CE1 3.74Å; P229-Y292 HydrophobicContact CG-CE2 3.57Å; P229-Y292 HydrophobicContact CG-CG 3.84Å
230	T	41.8	Very low	47	Very low	103 Å²	103	75.8 Å²	75.8	63%	0.632	39%	0.387	S	S	*	.			trans	-65.9	102.3	165.6	46.8	0	0	0	0	107.4	P228 E232 M235	P228-T230 PolarHBondContact O-N 3.3Å; T230-E232 PolarHBondContact O-N 3.12Å; T230-E232 VanDerWaalsContact O-N 3.11Å; T230-M235 HydrophobicContact CG2-CE 4.42Å
231	S	41.9	Very low	47	Very low	6 Å²	6	75.6 Å²	75.6	4%	0.042	38%	0.381	C	S	.	.			trans	-60	114.6	177	49.7	0	0	0	0	109.2	P229 T233	P229-S231 PolarHBondContact O-N 2.96Å; S231-T233 PolarHBondContact O-N 3.34Å; S231-T233 PolarHBondContact OG-O 2.68Å
232	E	38.8	Very low	47	Very low	191 Å²	191	79 Å²	79	89%	0.893	39%	0.389	S	S	*	.	S	Bend	trans	-66.8	17.8	174.5	-61.9	-175	135.9	0	0	113.2	T230	T230-E232 PolarHBondContact O-N 3.12Å; T230-E232 VanDerWaalsContact O-N 3.11Å
233	T	36.7	Very low	46.8	Very low	33 Å²	33	74.2 Å²	74.2	20%	0.202	38%	0.381	C	S	.	.	S	Bend	trans	-139.3	140	175	33.9	0	0	0	0	109.7	S231 K271	S231-T233 PolarHBondContact O-N 3.34Å; S231-T233 PolarHBondContact OG-O 2.68Å; T233-K271 HydrophobicContact CG2-CD 4.14Å; T233-K271 WeakPolarHBondContact OG1-CE 3.38Å; T233-K271 PolarHBondContact OG1-NZ 2.98Å
234	V	42.9	Very low	46.4	Very low	12 Å²	12	82 Å²	82	7%	0.073	42%	0.417	C	S	.	.			trans	57.5	58.1	-177.1	-156.7	0	0	0	0	112.8	T236 A274 N278 D619	V234-T236 VanDerWaalsContact C-N 3.29Å; V234-T236 WeakPolarHBondContact CG1-OG1 3.37Å; V234-A274 HydrophobicContact CG1-CB 4.06Å; V234-A274 HydrophobicContact CG2-CB 4.4Å; V234-N278 VanDerWaalsContact CG1-ND2 3.26Å; V234-N278 WeakPolarHBondContact CG1-ND2 3.49Å; V234-D619 WeakPolarHBondContact CA-OD2 3.39Å
235	M	41.7	Very low	46.1	Very low	127 Å²	127	85 Å²	85	63%	0.626	43%	0.428	S	S	*	.			trans	-92	11.3	160.1	-83.1	-97.8	163	0	0	111.8	T230 K237	T230-M235 HydrophobicContact CG2-CE 4.42Å; M235-K237 PolarHBondContact O-N 2.73Å
236	T	50.5	Low	46.1	Very low	15 Å²	15	81.7 Å²	81.7	9%	0.092	42%	0.418	C	S	.	.			trans	-61.5	107	166.2	32.5	0	0	0	0	109.8	V234 N278 D619	V234-T236 VanDerWaalsContact C-N 3.29Å; V234-T236 WeakPolarHBondContact CG1-OG1 3.37Å; T236-N278 PolarHBondContact O-ND2 2.79Å; T236-D619 WeakPolarHBondContact CB-OD1 3.43Å; T236-D619 HydrophobicContact CG2-CB 4.37Å; T236-D619 WeakPolarHBondContact CG2-O 3.2Å; T236-D619 WeakPolarHBondContact CG2-OD1 3.46Å; T236-D619 PolarHBondContact OG1-OD1 2.66Å
237	K	53.8	Low	46.2	Very low	158 Å²	158	78.4 Å²	78.4	69%	0.687	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-53.9	135.7	162.3	-64.6	176.2	-177.3	172.5	0	107.9	M235	M235-K237 PolarHBondContact O-N 2.73Å
238	P	55.7	Low	46.5	Very low	37 Å²	37	77.7 Å²	77.7	24%	0.24	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-57.4	150.3	176.9	28.7	-38.9	0	0	0	110.3	N278	P238-N278 WeakPolarHBondContact CA-O 3.44Å
239	F	63.5	Low	46.9	Very low	7 Å²	7	79.3 Å²	79.3	3%	0.031	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-65.9	129.9	179.7	-69.6	4.5	0	0	0	110.4	I241 N278 W279 G281 F571 V585 K620 A622 L625	F239-I241 PolarHBondContact O-N 3Å; F239-N278 PolarHBondContact N-O 3Å; F239-W279 WeakPolarHBondContact CD2-O 3.3Å; F239-W279 HydrophobicContact CE2-CB 4.47Å; F239-W279 AromaticContact CE2-CD1 3.36Å; F239-W279 AromaticContact CE2-CG 3.92Å; F239-W279 HydrophobicContact CE2-CG 3.92Å; F239-W279 AromaticContact CE2-NE1 3.75Å; F239-W279 AromaticContact CZ-CD1 3.53Å; F239-W279 HydrophobicContact CZ-CG 4.28Å; F239-G281 VanDerWaalsContact O-CA 3.32Å; F239-G281 WeakPolarHBondContact O-CA 3.09Å; F239-F571 HydrophobicContact CB-CE1 4.27Å; F239-F571 HydrophobicContact CB-CZ 3.84Å; F239-F571 HydrophobicContact CD2-CE2 4Å; F239-F571 AromaticContact CD2-CZ 3.79Å; F239-F571 HydrophobicContact CD2-CZ 3.79Å; F239-F571 HydrophobicContact CE2-CE2 4.41Å; F239-F571 HydrophobicContact CG-CE2 4.39Å; F239-F571 AromaticContact CG-CZ 3.98Å; F239-F571 HydrophobicContact CG-CZ 3.98Å; F239-V585 HydrophobicContact CD2-CG1 4.14Å; F239-V585 HydrophobicContact CD2-CG2 3.97Å; F239-V585 HydrophobicContact CE2-CG1 4.45Å; F239-V585 HydrophobicContact CE2-CG2 3.85Å; F239-K620 VanDerWaalsContact CE1-O 3.27Å; F239-K620 WeakPolarHBondContact CE1-O 3.32Å; F239-K620 WeakPolarHBondContact CZ-O 3.44Å; F239-A622 HydrophobicContact CB-CB 4.32Å; F239-A622 HydrophobicContact CD1-CB 3.72Å; F239-A622 HydrophobicContact CE1-CB 4.25Å; F239-A622 HydrophobicContact CG-CB 4.03Å; F239-L625 HydrophobicContact CD2-CD1 4.44Å; F239-L625 HydrophobicContact CE2-CD1 3.42Å; F239-L625 VanDerWaalsContact CE2-CD1 3.42Å; F239-L625 HydrophobicContact CZ-CD1 3.55Å
240	P	55.2	Low	47.2	Very low	68 Å²	68	79.5 Å²	79.5	44%	0.442	41%	0.409	S	S	.	.			trans	-78.1	85.3	-173.9	31.4	-34.7	0	0	0	110.9	F571 A622	P240-F571 HydrophobicContact CG-CD1 4.2Å; P240-F571 HydrophobicContact CG-CE1 4.3Å; P240-A622 VanDerWaalsContact CD-CB 3.45Å; P240-A622 HydrophobicContact CG-CB 4.34Å
241	I	53.8	Low	48.7	Very low	52 Å²	52	80.3 Å²	80.3	27%	0.267	41%	0.414	S	S	.	.			trans	-75.1	140.2	176.5	-63.8	178.7	0	0	0	110.3	F239 I280 E582	F239-I241 PolarHBondContact O-N 3Å; I241-I280 VanDerWaalsContact CD1-O 3.28Å; I241-I280 WeakPolarHBondContact CD1-O 3.44Å; I241-E582 WeakPolarHBondContact CA-OE1 3.42Å; I241-E582 HydrophobicContact CG1-CG 4.2Å
242	R	46.5	Very low	50.8	Low	184 Å²	184	82.1 Å²	82.1	69%	0.694	43%	0.425	S	S	*	.			trans	-126.6	135.5	-176.1	-75.8	-173.3	168.3	-160.7	-2.8	114.1	E582	R242-E582 PolarHBondContact N-OE1 3.27Å
243	G	39	Very low	53.4	Low	54 Å²	54	74.6 Å²	74.6	56%	0.557	39%	0.393	S	S	*	.	S	Bend	trans	93.2	-173.5	174.3	0	0	0	0	0	113.4	R245 T246	G243-R245 PolarHBondContact O-N 2.8Å; G243-T246 WeakPolarHBondContact O-CG2 3.39Å; G243-T246 PolarHBondContact O-N 3.26Å; G243-T246 VanDerWaalsContact O-N 3.08Å
244	E	37.1	Very low	56.1	Low	204 Å²	204	73.4 Å²	73.4	95%	0.953	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	4.1	-173.9	-59.3	176.4	135.6	0	0	115.8
245	R	42.2	Very low	58.7	Low	152 Å²	152	72.9 Å²	72.9	57%	0.574	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	10.6	168.1	-59.4	-173.2	-173.3	168.2	5.9	112.7	G243 I247 D583	G243-R245 PolarHBondContact O-N 2.8Å; R245-I247 VanDerWaalsContact C-N 3.27Å; R245-I247 PolarHBondContact O-N 2.87Å; R245-D583 IonicContact CZ-OD1 3.36Å; R245-D583 IonicContact NH1-OD1 3.31Å; R245-D583 PolarHBondContact NH1-OD1 2.98Å; R245-D583 IonicContact NH2-OD1 2.72Å
246	T	43.7	Very low	61.4	Low	49 Å²	49	66.8 Å²	66.8	30%	0.301	35%	0.351	S	S	.	.			trans	-66.1	81.6	172.3	47	0	0	0	0	112.2	G243 A248 D249	G243-T246 WeakPolarHBondContact O-CG2 3.39Å; G243-T246 PolarHBondContact O-N 3.26Å; G243-T246 VanDerWaalsContact O-N 3.08Å; T246-A248 HydrophobicContact CG2-CB 4.21Å; T246-A248 PolarHBondContact O-N 3.21Å; T246-D249 VanDerWaalsContact CB-OD1 3.29Å; T246-D249 WeakPolarHBondContact CB-OD1 3.47Å; T246-D249 PolarHBondContact O-N 2.98Å; T246-D249 PolarHBondContact OG1-OD1 3.01Å
247	I	46.5	Very low	63.6	Low	71 Å²	71	66.1 Å²	66.1	36%	0.364	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.1	150.8	-58.5	155.5	0	0	0	109.9	R245 D249 I282 H448	R245-I247 VanDerWaalsContact C-N 3.27Å; R245-I247 PolarHBondContact O-N 2.87Å; I247-D249 PolarHBondContact O-N 3.12Å; I247-I282 HydrophobicContact CG2-CD1 4.41Å; I247-H448 PolarHBondContact O-NE2 3.47Å
248	A	45.8	Very low	65.7	Low	38 Å²	38	58.6 Å²	58.6	31%	0.314	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-2.6	169.1	0	0	0	0	0	115.5	T246 C250	T246-A248 HydrophobicContact CG2-CB 4.21Å; T246-A248 PolarHBondContact O-N 3.21Å; A248-C250 PolarHBondContact O-N 2.93Å
249	D	53.2	Low	67.7	Low	91 Å²	91	56.8 Å²	56.8	49%	0.487	30%	0.303	S	S	.	.			trans	-70	59.6	163.9	-79	42.6	0	0	0	110.6	T246 I247 T251 H448	T246-D249 VanDerWaalsContact CB-OD1 3.29Å; T246-D249 WeakPolarHBondContact CB-OD1 3.47Å; T246-D249 PolarHBondContact O-N 2.98Å; T246-D249 PolarHBondContact OG1-OD1 3.01Å; I247-D249 PolarHBondContact O-N 3.12Å; D249-T251 HydrophobicContact CB-CG2 4.32Å; D249-T251 PolarHBondContact O-N 3.44Å; D249-H448 PolarHBondContact O-CE1 3.32Å
250	C	61	Low	69.3	Low	17 Å²	17	56.5 Å²	56.5	12%	0.115	30%	0.301	C	S	.	.			trans	-74.7	68.3	164.9	-168.2	0	0	0	0	107.9	A248 T252 H254	A248-C250 PolarHBondContact O-N 2.93Å; C250-T252 PolarHBondContact O-N 2.86Å; C250-T252 PolarHBondContact SG-O 3.39Å; C250-T252 VanDerWaalsContact SG-O 3.39Å; C250-H254 PolarHBondContact SG-CE1 3.44Å; C250-H254 PolarHBondContact SG-ND1 3.31Å
251	T	72.1	Confident	71.2	Confident	120 Å²	120	53.7 Å²	53.7	74%	0.736	28%	0.283	S	S	*	.			trans	-61.1	-17.1	-168.9	57.2	0	0	0	0	114.5	D249	D249-T251 HydrophobicContact CB-CG2 4.32Å; D249-T251 PolarHBondContact O-N 3.44Å
252	T	87.9	Confident	73	Confident	45 Å²	45	51.7 Å²	51.7	28%	0.276	27%	0.273	S	S	.	.	S	Bend	trans	-126.2	127.6	170.7	-54.4	0	0	0	0	107.4	C250 H254 G364 R366	C250-T252 PolarHBondContact O-N 2.86Å; C250-T252 PolarHBondContact SG-O 3.39Å; C250-T252 VanDerWaalsContact SG-O 3.39Å; T252-H254 PolarHBondContact O-CE1 3.48Å; T252-H254 PolarHBondContact O-ND1 2.85Å; T252-G364 WeakPolarHBondContact CG2-O 3.48Å; T252-R366 HydrophobicContact CG2-CG 4.1Å
253	P	92.8	Very high	75	Confident	33 Å²	33	43.4 Å²	43.4	21%	0.214	24%	0.244	C	C	.	.			trans	-59.5	147.5	176.4	-25	35.1	0	0	0	112.5	L332 F365 R366	P253-L332 HydrophobicContact CB-CB 3.93Å; P253-L332 HydrophobicContact CB-CD1 3.9Å; P253-L332 HydrophobicContact CB-CD2 4.19Å; P253-L332 HydrophobicContact CB-CG 4.21Å; P253-L332 HydrophobicContact CG-CB 4.49Å; P253-F365 HydrophobicContact CB-CD1 3.81Å; P253-F365 HydrophobicContact CB-CE1 3.87Å; P253-F365 HydrophobicContact CB-CG 4.14Å; P253-F365 HydrophobicContact CB-CZ 4.24Å; P253-F365 HydrophobicContact CG-CD1 3.92Å; P253-F365 HydrophobicContact CG-CE1 3.68Å; P253-F365 HydrophobicContact CG-CZ 4.29Å; P253-F365 WeakPolarHBondContact O-CA 3.47Å; P253-F365 WeakPolarHBondContact O-CB 3.45Å; P253-R366 PolarHBondContact O-N 3.15Å
254	H	94.1	Very high	77.5	Confident	8 Å²	8	41.3 Å²	41.3	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.6	-179.5	-63.3	51.9	0	0	0	111.8	C250 T252 S338 I339 A340 R366 E450	C250-H254 PolarHBondContact SG-CE1 3.44Å; C250-H254 PolarHBondContact SG-ND1 3.31Å; T252-H254 PolarHBondContact O-CE1 3.48Å; T252-H254 PolarHBondContact O-ND1 2.85Å; H254-S338 PolarHBondContact N-O 2.84Å; H254-I339 HydrophobicContact CB-CG1 4.32Å; H254-I339 CarbonylContact O-C 3.52Å; H254-I339 WeakPolarHBondContact O-CA 3.33Å; H254-A340 PolarHBondContact O-N 3.3Å; H254-R366 CarbonylContact C-O 3.57Å; H254-R366 WeakPolarHBondContact CA-O 3.36Å; H254-R366 HydrophobicContact CB-CB 4.39Å; H254-R366 VanDerWaalsContact CE1-CD 3.47Å; H254-R366 WeakPolarHBondContact CE1-CD 3.45Å; H254-R366 WeakPolarHBondContact NE2-CD 3.42Å; H254-E450 IonicContact CD2-OE1 3.6Å; H254-E450 PolarHBondContact CD2-OE1 3.03Å; H254-E450 IonicContact NE2-OE1 3.53Å; H254-E450 PolarHBondContact NE2-OE1 2.9Å; H254-E450 VanDerWaalsContact NE2-OE1 3.12Å; H254-E450 IonicContact NE2-OE2 3.88Å
255	V	96.9	Very high	79.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.9	163.9	-178.7	0	0	0	0	109.2	L332 A340 F342 V359 F365 R366 L367 F368	V255-L332 HydrophobicContact CG2-CD1 3.91Å; V255-A340 CarbonylContact C-O 3.47Å; V255-A340 WeakPolarHBondContact CA-O 3.46Å; V255-F342 HydrophobicContact CG1-CB 4.21Å; V255-V359 HydrophobicContact CB-CG1 3.86Å; V255-V359 HydrophobicContact CB-CG2 4.12Å; V255-V359 HydrophobicContact CG1-CG2 4.27Å; V255-V359 HydrophobicContact CG2-CG1 3.71Å; V255-V359 HydrophobicContact CG2-CG2 3.9Å; V255-F365 HydrophobicContact CG2-CD2 4.41Å; V255-R366 PolarHBondContact N-O 3.25Å; V255-L367 HydrophobicContact CB-CD1 4.26Å; V255-L367 HydrophobicContact CG1-CD1 4.33Å; V255-L367 WeakPolarHBondContact O-CA 3.46Å; V255-F368 PolarHBondContact O-N 2.92Å
256	I	97.4	Very high	82.3	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	105.2	173.2	-54.8	179.3	0	0	0	107.7	M258 L273 L277 I339 A340 V341 F342 F368 V370 I453	I256-M258 HydrophobicContact CG2-SD 4.42Å; I256-L273 HydrophobicContact CD1-CD2 3.75Å; I256-L273 HydrophobicContact CG2-CD2 4.3Å; I256-L277 HydrophobicContact CD1-CD1 4.43Å; I256-I339 HydrophobicContact CD1-CG2 3.48Å; I256-I339 VanDerWaalsContact CD1-CG2 3.48Å; I256-I339 HydrophobicContact CG1-CG2 3.76Å; I256-A340 PolarHBondContact N-O 3.11Å; I256-V341 HydrophobicContact CB-CG1 4.42Å; I256-V341 HydrophobicContact CB-CG2 4.36Å; I256-V341 HydrophobicContact CD1-CG2 4.31Å; I256-V341 CarbonylContact O-C 3.38Å; I256-V341 WeakPolarHBondContact O-CA 3.47Å; I256-F342 PolarHBondContact O-N 3.01Å; I256-F368 CarbonylContact C-O 3.54Å; I256-F368 VanDerWaalsContact CA-O 3.29Å; I256-F368 WeakPolarHBondContact CA-O 3.49Å; I256-V370 HydrophobicContact CG2-CG2 3.73Å; I256-I453 HydrophobicContact CD1-CD1 3.4Å; I256-I453 VanDerWaalsContact CD1-CD1 3.4Å; I256-I453 HydrophobicContact CD1-CG1 4.04Å; I256-I453 HydrophobicContact CG1-CD1 4.16Å
257	A	97.9	Very high	84.4	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	112.4	-176	0	0	0	0	0	111	I355 L367 F368 F369 V370	A257-I355 HydrophobicContact CB-CG2 4.28Å; A257-L367 HydrophobicContact CB-CD1 3.92Å; A257-F368 PolarHBondContact N-O 2.84Å; A257-F369 HydrophobicContact CB-CD1 3.42Å; A257-F369 VanDerWaalsContact CB-CD1 3.42Å; A257-F369 HydrophobicContact CB-CE1 3.48Å; A257-F369 VanDerWaalsContact CB-CE1 3.48Å; A257-F369 HydrophobicContact CB-CG 4.23Å; A257-F369 HydrophobicContact CB-CZ 4.3Å; A257-F369 CarbonylContact O-C 3.58Å; A257-F369 VanDerWaalsContact O-CA 3.26Å; A257-F369 WeakPolarHBondContact O-CA 3.29Å; A257-V370 PolarHBondContact O-N 2.65Å
258	M	97.9	Very high	86.4	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	143.8	178.7	-54.8	-57	-56.3	0	0	110.9	I256 K266 I269 S270 V341 F342 D343 A344 N346 V370	I256-M258 HydrophobicContact CG2-SD 4.42Å; M258-K266 HydrophobicContact CB-CB 4.31Å; M258-K266 HydrophobicContact CB-CD 4.02Å; M258-K266 HydrophobicContact CB-CG 4.44Å; M258-K266 HydrophobicContact CE-CB 4.23Å; M258-K266 HydrophobicContact CE-CG 4.48Å; M258-I269 HydrophobicContact CE-CB 4.03Å; M258-I269 HydrophobicContact CE-CG2 3.76Å; M258-S270 VanDerWaalsContact CG-OG 3.29Å; M258-S270 WeakPolarHBondContact CG-OG 3.39Å; M258-V341 HydrophobicContact CG-CG1 4.29Å; M258-V341 HydrophobicContact SD-CG1 4.17Å; M258-F342 PolarHBondContact N-O 3.37Å; M258-D343 HydrophobicContact CG-CB 4.24Å; M258-A344 VanDerWaalsContact O-O 3.12Å; M258-N346 WeakPolarHBondContact O-CB 3.5Å; M258-N346 PolarHBondContact O-ND2 2.94Å; M258-V370 WeakPolarHBondContact CA-O 3.37Å; M258-V370 HydrophobicContact CE-CB 3.89Å; M258-V370 HydrophobicContact CE-CG1 3.71Å; M258-V370 HydrophobicContact SD-CB 3.94Å; M258-V370 HydrophobicContact SD-CG1 4.34Å
259	V	98.2	Very high	88.5	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.5	178	-174	0	0	0	0	110.5	K266 T345 N346 F369 V370 E371 S372 I420	V259-K266 WeakPolarHBondContact O-CD 3.31Å; V259-T345 CarbonylContact C-O 3.54Å; V259-T345 WeakPolarHBondContact CA-O 3.49Å; V259-N346 HydrophobicContact CG2-CB 4.04Å; V259-F369 HydrophobicContact CG2-CB 4.2Å; V259-F369 HydrophobicContact CG2-CD1 3.51Å; V259-F369 HydrophobicContact CG2-CE1 4.34Å; V259-F369 HydrophobicContact CG2-CG 4.28Å; V259-V370 PolarHBondContact N-O 3.37Å; V259-E371 HydrophobicContact CB-CB 3.89Å; V259-E371 HydrophobicContact CB-CG 3.97Å; V259-E371 HydrophobicContact CG1-CB 4.33Å; V259-E371 HydrophobicContact CG1-CG 3.93Å; V259-E371 WeakPolarHBondContact CG1-OE1 3.27Å; V259-E371 WeakPolarHBondContact O-CA 3.33Å; V259-S372 PolarHBondContact O-N 2.9Å; V259-I420 HydrophobicContact CB-CD1 4.43Å; V259-I420 HydrophobicContact CG1-CG1 4.36Å; V259-I420 HydrophobicContact CG2-CD1 4.09Å
260	G	95.9	Very high	90.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	124.8	174.6	171.4	0	0	0	0	0	113.7	K266 T345	G260-K266 PolarHBondContact O-NZ 3.04Å; G260-T345 PolarHBondContact N-O 3.26Å; G260-T345 WeakPolarHBondContact O-CA 3.33Å; G260-T345 WeakPolarHBondContact O-CB 3.3Å
261	L	95.2	Very high	91.8	Very high	9 Å²	9	17.6 Å²	17.6	5%	0.047	10%	0.104	C	C	.	.			trans	-68.4	166.4	-172	-64.4	166.9	0	0	0	113.7	R264 K266 E414 Y417	L261-R264 HydrophobicContact CB-CG 3.7Å; L261-R264 WeakPolarHBondContact O-CB 3.28Å; L261-R264 WeakPolarHBondContact O-CG 3.4Å; L261-K266 PolarHBondContact O-NZ 3.43Å; L261-E414 HydrophobicContact CD1-CG 3.55Å; L261-E414 WeakPolarHBondContact CD1-OE1 3.3Å; L261-E414 HydrophobicContact CD2-CB 4.49Å; L261-E414 HydrophobicContact CD2-CG 3.61Å; L261-E414 HydrophobicContact CG-CG 4.21Å; L261-Y417 HydrophobicContact CD1-CD1 3.81Å; L261-Y417 HydrophobicContact CD1-CE1 4.08Å; L261-Y417 HydrophobicContact CD2-CD1 3.91Å; L261-Y417 HydrophobicContact CD2-CG 3.93Å; L261-Y417 HydrophobicContact CG-CD1 3.75Å; L261-Y417 HydrophobicContact CG-CE1 4.05Å; L261-Y417 HydrophobicContact CG-CG 4.21Å
262	P	92.4	Very high	92.7	Very high	10 Å²	10	12.4 Å²	12.4	7%	0.065	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	156.8	169.1	-17.9	31	0	0	0	112.2	R264 F406 I410 Y413	P262-R264 PolarHBondContact O-N 3.06Å; P262-R264 PolarHBondContact O-NH1 3.01Å; P262-F406 HydrophobicContact CB-CE1 3.47Å; P262-F406 VanDerWaalsContact CB-CE1 3.47Å; P262-F406 HydrophobicContact CB-CZ 3.56Å; P262-I410 HydrophobicContact CB-CG1 3.75Å; P262-I410 HydrophobicContact CG-CG1 4.09Å; P262-Y413 HydrophobicContact CG-CD2 3.58Å; P262-Y413 HydrophobicContact CG-CE2 4.08Å; P262-Y413 HydrophobicContact CG-CG 4.13Å
263	A	88.9	Confident	92.9	Very high	10 Å²	10	10.3 Å²	10.3	8%	0.083	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	7.9	-172.9	0	0	0	0	0	116.8	G265 I380 N383 I384 F406 I410	A263-G265 VanDerWaalsContact C-N 3.29Å; A263-G265 PolarHBondContact O-N 3.2Å; A263-I380 HydrophobicContact CB-CG2 4.27Å; A263-N383 HydrophobicContact CB-CB 4.19Å; A263-N383 VanDerWaalsContact O-CB 3.26Å; A263-N383 WeakPolarHBondContact O-CB 3.36Å; A263-N383 PolarHBondContact O-ND2 3.15Å; A263-I384 HydrophobicContact CB-CD1 4.33Å; A263-I384 HydrophobicContact CB-CG1 3.69Å; A263-F406 HydrophobicContact CB-CD1 4.26Å; A263-F406 HydrophobicContact CB-CE1 3.66Å; A263-I410 HydrophobicContact CB-CD1 4.17Å
264	R	90.6	Very high	92.9	Very high	11 Å²	11	8.7 Å²	8.7	4%	0.042	5%	0.048	C	C	.	.	S	Bend	trans	-87.4	42.6	175.4	-49.9	-48.3	-163.7	-91.3	4.9	113.7	L261 P262 K266 S372 C374 E414	L261-R264 HydrophobicContact CB-CG 3.7Å; L261-R264 WeakPolarHBondContact O-CB 3.28Å; L261-R264 WeakPolarHBondContact O-CG 3.4Å; P262-R264 PolarHBondContact O-N 3.06Å; P262-R264 PolarHBondContact O-NH1 3.01Å; R264-K266 PolarHBondContact O-N 3.47Å; R264-S372 WeakPolarHBondContact CB-O 3.35Å; R264-S372 WeakPolarHBondContact O-CB 3.2Å; R264-S372 PolarHBondContact O-OG 3.2Å; R264-C374 WeakPolarHBondContact CD-O 3.5Å; R264-C374 PolarHBondContact NE-O 3.45Å; R264-C374 PolarHBondContact NH2-O 2.83Å; R264-E414 IonicContact NH2-OE1 3.59Å; R264-E414 PolarHBondContact NH2-OE1 3.45Å; R264-E414 VanDerWaalsContact NH2-OE1 3.15Å
265	G	87.8	Confident	92.8	Very high	17 Å²	17	9.2 Å²	9.2	18%	0.175	5%	0.05	C	C	.	.	S	Bend	trans	63.4	-5.9	171.8	0	0	0	0	0	119.4	A263 T267 F268 I269	A263-G265 VanDerWaalsContact C-N 3.29Å; A263-G265 PolarHBondContact O-N 3.2Å; G265-T267 PolarHBondContact O-N 3.13Å; G265-T267 VanDerWaalsContact O-N 3.15Å; G265-F268 WeakPolarHBondContact O-CA 3.5Å; G265-F268 WeakPolarHBondContact O-CB 3.4Å; G265-F268 PolarHBondContact O-N 3.46Å; G265-I269 PolarHBondContact O-N 2.78Å
266	K	91.6	Very high	92.6	Very high	16 Å²	16	9.2 Å²	9.2	7%	0.07	5%	0.05	C	C	.	.	H	α-helix	trans	-47.6	-47.9	-171.2	-61.9	-170.7	-57	-79.6	0	115.6	M258 V259 G260 L261 R264 F268 I269 S270 D343 A344	M258-K266 HydrophobicContact CB-CB 4.31Å; M258-K266 HydrophobicContact CB-CD 4.02Å; M258-K266 HydrophobicContact CB-CG 4.44Å; M258-K266 HydrophobicContact CE-CB 4.23Å; M258-K266 HydrophobicContact CE-CG 4.48Å; V259-K266 WeakPolarHBondContact O-CD 3.31Å; G260-K266 PolarHBondContact O-NZ 3.04Å; L261-K266 PolarHBondContact O-NZ 3.43Å; R264-K266 PolarHBondContact O-N 3.47Å; K266-F268 PolarHBondContact O-N 3.05Å; K266-I269 PolarHBondContact O-N 3.15Å; K266-S270 WeakPolarHBondContact O-CB 3.26Å; K266-S270 PolarHBondContact O-N 2.84Å; K266-S270 PolarHBondContact O-OG 2.8Å; K266-D343 WeakPolarHBondContact CB-OD1 3.38Å; K266-A344 WeakPolarHBondContact CD-O 3.26Å; K266-A344 WeakPolarHBondContact CE-O 3.49Å
267	T	88.8	Confident	92.3	Very high	26 Å²	26	9.2 Å²	9.2	16%	0.16	5%	0.05	C	C	.	.	H	α-helix	trans	-68	-33.5	-179.5	-48.7	0	0	0	0	112.9	G265 K271 D343 Y643	G265-T267 PolarHBondContact O-N 3.13Å; G265-T267 VanDerWaalsContact O-N 3.15Å; T267-K271 HydrophobicContact CG2-CD 4.22Å; T267-K271 WeakPolarHBondContact O-CB 3.47Å; T267-K271 WeakPolarHBondContact O-CG 3.44Å; T267-K271 PolarHBondContact O-N 2.88Å; T267-D343 WeakPolarHBondContact CA-OD2 3.42Å; T267-D343 WeakPolarHBondContact CB-OD2 3.36Å; T267-D343 WeakPolarHBondContact CG2-OD2 3.34Å; T267-D343 PolarHBondContact OG1-OD2 2.85Å; T267-Y643 HydrophobicContact CG2-CE1 3.95Å
268	F	87.6	Confident	91.9	Very high	32 Å²	32	9.4 Å²	9.4	14%	0.14	5%	0.051	C	C	.	.	H	α-helix	trans	-66.1	-47.7	172.7	167.6	-97.1	0	0	0	110.5	G265 K266 S270 K271 K272 I462	G265-F268 WeakPolarHBondContact O-CA 3.5Å; G265-F268 WeakPolarHBondContact O-CB 3.4Å; G265-F268 PolarHBondContact O-N 3.46Å; K266-F268 PolarHBondContact O-N 3.05Å; F268-S270 VanDerWaalsContact C-N 3.33Å; F268-S270 PolarHBondContact O-N 3.28Å; F268-K271 PolarHBondContact O-N 3.45Å; F268-K272 HydrophobicContact CE1-CD 3.88Å; F268-K272 HydrophobicContact CE2-CD 4Å; F268-K272 HydrophobicContact CE2-CG 4.33Å; F268-K272 HydrophobicContact CZ-CD 3.63Å; F268-K272 HydrophobicContact CZ-CG 4.39Å; F268-K272 WeakPolarHBondContact O-CB 3.47Å; F268-K272 PolarHBondContact O-N 2.85Å; F268-I462 HydrophobicContact CD1-CG2 4.11Å; F268-I462 HydrophobicContact CE1-CB 4.33Å; F268-I462 HydrophobicContact CE1-CG2 3.75Å
269	I	91.3	Very high	91.5	Very high	10 Å²	10	9.7 Å²	9.7	5%	0.051	5%	0.052	C	C	.	.	H	α-helix	trans	-56.8	-48.5	174.8	-65.1	169.6	0	0	0	110.1	M258 G265 K266 K271 K272 L273 V370 L457 I460	M258-I269 HydrophobicContact CE-CB 4.03Å; M258-I269 HydrophobicContact CE-CG2 3.76Å; G265-I269 PolarHBondContact O-N 2.78Å; K266-I269 PolarHBondContact O-N 3.15Å; I269-K271 PolarHBondContact O-N 3.08Å; I269-K272 PolarHBondContact O-N 3.14Å; I269-L273 WeakPolarHBondContact O-CB 3.26Å; I269-L273 PolarHBondContact O-N 2.98Å; I269-V370 HydrophobicContact CG2-CG1 4.41Å; I269-L457 HydrophobicContact CG2-CD1 4.5Å; I269-L457 HydrophobicContact CG2-CD2 3.58Å; I269-I460 HydrophobicContact CG1-CD1 4.33Å
270	S	92.8	Very high	91	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58.4	-49.4	-179.1	-56.2	0	0	0	0	112.5	M258 K266 F268 L273 A274	M258-S270 VanDerWaalsContact CG-OG 3.29Å; M258-S270 WeakPolarHBondContact CG-OG 3.39Å; K266-S270 WeakPolarHBondContact O-CB 3.26Å; K266-S270 PolarHBondContact O-N 2.84Å; K266-S270 PolarHBondContact O-OG 2.8Å; F268-S270 VanDerWaalsContact C-N 3.33Å; F268-S270 PolarHBondContact O-N 3.28Å; S270-L273 PolarHBondContact O-N 3.45Å; S270-A274 WeakPolarHBondContact O-CB 3.4Å; S270-A274 PolarHBondContact O-N 3.42Å
271	K	89.6	Confident	90.5	Very high	22 Å²	22	11 Å²	11	10%	0.096	6%	0.061	C	C	.	.	H	α-helix	trans	-71.9	-40	-178.4	-67.3	-177.2	-175.2	-166.6	0	111.6	T233 T267 F268 I269 L273 R275 V286 E291 Y643	T233-K271 HydrophobicContact CG2-CD 4.14Å; T233-K271 WeakPolarHBondContact OG1-CE 3.38Å; T233-K271 PolarHBondContact OG1-NZ 2.98Å; T267-K271 HydrophobicContact CG2-CD 4.22Å; T267-K271 WeakPolarHBondContact O-CB 3.47Å; T267-K271 WeakPolarHBondContact O-CG 3.44Å; T267-K271 PolarHBondContact O-N 2.88Å; F268-K271 PolarHBondContact O-N 3.45Å; I269-K271 PolarHBondContact O-N 3.08Å; K271-L273 VanDerWaalsContact C-N 3.35Å; K271-L273 PolarHBondContact O-N 2.95Å; K271-R275 VanDerWaalsContact O-CB 3.26Å; K271-R275 WeakPolarHBondContact O-CB 3.39Å; K271-R275 PolarHBondContact O-N 3.03Å; K271-V286 HydrophobicContact CG-CG2 4.41Å; K271-E291 IonicContact NZ-OE1 3.48Å; K271-Y643 HydrophobicContact CD-CD1 4.13Å
272	K	91	Very high	90.2	Very high	12 Å²	12	10.7 Å²	10.7	5%	0.052	6%	0.059	C	C	.	.	H	α-helix	trans	-62.2	-39.4	171.9	-90.5	-157.8	173.7	-174.6	0	112.8	F268 I269 Y276 Y456 I460 E596	F268-K272 HydrophobicContact CE1-CD 3.88Å; F268-K272 HydrophobicContact CE2-CD 4Å; F268-K272 HydrophobicContact CE2-CG 4.33Å; F268-K272 HydrophobicContact CZ-CD 3.63Å; F268-K272 HydrophobicContact CZ-CG 4.39Å; F268-K272 WeakPolarHBondContact O-CB 3.47Å; F268-K272 PolarHBondContact O-N 2.85Å; I269-K272 PolarHBondContact O-N 3.14Å; K272-Y276 PolarHBondContact O-N 2.7Å; K272-Y276 VanDerWaalsContact O-N 3.13Å; K272-Y456 HydrophobicContact CB-CE1 4.43Å; K272-Y456 PolarHBondContact O-OH 3.09Å; K272-I460 HydrophobicContact CD-CG2 4.45Å; K272-E596 IonicContact NZ-OE1 3.34Å; K272-E596 PolarHBondContact NZ-OE1 3.18Å; K272-E596 IonicContact NZ-OE2 3.09Å; K272-E596 PolarHBondContact NZ-OE2 2.89Å
273	L	92.8	Very high	90	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-70	-47.7	-179.5	-178.6	62	0	0	0	111.1	I256 I269 S270 K271 R275 Y276 L277 I453 Y456 L457	I256-L273 HydrophobicContact CD1-CD2 3.75Å; I256-L273 HydrophobicContact CG2-CD2 4.3Å; I269-L273 WeakPolarHBondContact O-CB 3.26Å; I269-L273 PolarHBondContact O-N 2.98Å; S270-L273 PolarHBondContact O-N 3.45Å; K271-L273 VanDerWaalsContact C-N 3.35Å; K271-L273 PolarHBondContact O-N 2.95Å; L273-R275 PolarHBondContact O-N 3.3Å; L273-Y276 HydrophobicContact CD1-CD1 4.41Å; L273-Y276 PolarHBondContact O-N 3.48Å; L273-L277 HydrophobicContact CD1-CD1 3.93Å; L273-L277 HydrophobicContact CD1-CG 4.26Å; L273-L277 HydrophobicContact CG-CD1 3.8Å; L273-L277 WeakPolarHBondContact O-CB 3.41Å; L273-L277 VanDerWaalsContact O-CG 3.29Å; L273-L277 WeakPolarHBondContact O-CG 3.24Å; L273-L277 PolarHBondContact O-N 3.31Å; L273-I453 HydrophobicContact CD1-CB 4.41Å; L273-I453 HydrophobicContact CD1-CG1 4.16Å; L273-I453 HydrophobicContact CD1-CG2 4.08Å; L273-I453 HydrophobicContact CD2-CG2 3.92Å; L273-Y456 HydrophobicContact CB-CE1 4.3Å; L273-Y456 HydrophobicContact CD1-CD1 3.63Å; L273-Y456 HydrophobicContact CD1-CE1 4.12Å; L273-L457 HydrophobicContact CD1-CD2 4.45Å
274	A	92.5	Very high	90.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.8	-42.6	176.5	0	0	0	0	0	112.5	V234 S270 L277 N278 T284 V286	V234-A274 HydrophobicContact CG1-CB 4.06Å; V234-A274 HydrophobicContact CG2-CB 4.4Å; S270-A274 WeakPolarHBondContact O-CB 3.4Å; S270-A274 PolarHBondContact O-N 3.42Å; A274-L277 PolarHBondContact O-N 3.34Å; A274-N278 WeakPolarHBondContact O-CB 3.47Å; A274-N278 PolarHBondContact O-N 2.96Å; A274-N278 PolarHBondContact O-ND2 2.92Å; A274-T284 HydrophobicContact CB-CG2 3.71Å; A274-V286 HydrophobicContact CB-CG2 3.59Å
275	R	91.4	Very high	90.2	Very high	19 Å²	19	12.4 Å²	12.4	7%	0.072	7%	0.066	C	C	.	.	H	α-helix	trans	-59.5	-45.7	175.1	-175	-177.6	75.4	169.8	-0.6	112.8	K271 L273 W279 E596 Y616 F617 D619	K271-R275 VanDerWaalsContact O-CB 3.26Å; K271-R275 WeakPolarHBondContact O-CB 3.39Å; K271-R275 PolarHBondContact O-N 3.03Å; L273-R275 PolarHBondContact O-N 3.3Å; R275-W279 VanDerWaalsContact O-CB 3.27Å; R275-W279 WeakPolarHBondContact O-CB 3.23Å; R275-W279 PolarHBondContact O-N 2.81Å; R275-E596 IonicContact NH2-OE1 2.75Å; R275-E596 PolarHBondContact NH2-OE1 3.34Å; R275-E596 VanDerWaalsContact NH2-OE1 3.12Å; R275-Y616 WeakPolarHBondContact CD-O 3.48Å; R275-Y616 PolarHBondContact NE-O 2.88Å; R275-Y616 VanDerWaalsContact NH2-CZ 3.28Å; R275-Y616 PolarHBondContact NH2-OH 3.38Å; R275-F617 PolarHBondContact NH1-O 2.9Å; R275-D619 HydrophobicContact CG-CB 4.11Å
276	Y	92.9	Very high	90.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.1	-47.5	175.2	159.3	-117.3	0	0	0	111.8	K272 L273 N278 W279 I280 Y456 E589 M593	K272-Y276 PolarHBondContact O-N 2.7Å; K272-Y276 VanDerWaalsContact O-N 3.13Å; L273-Y276 HydrophobicContact CD1-CD1 4.41Å; L273-Y276 PolarHBondContact O-N 3.48Å; Y276-N278 PolarHBondContact O-N 3.08Å; Y276-W279 PolarHBondContact O-N 3.11Å; Y276-I280 HydrophobicContact CD2-CG2 4.05Å; Y276-I280 HydrophobicContact CE1-CD1 4.38Å; Y276-I280 HydrophobicContact CE2-CD1 4.13Å; Y276-I280 HydrophobicContact CE2-CG1 4.47Å; Y276-I280 HydrophobicContact CE2-CG2 3.69Å; Y276-I280 PolarHBondContact O-N 2.1Å; Y276-Y456 AromaticContact CD1-CD1 3.72Å; Y276-Y456 HydrophobicContact CD1-CD1 3.72Å; Y276-Y456 AromaticContact CD1-CD2 3.65Å; Y276-Y456 HydrophobicContact CD1-CD2 3.65Å; Y276-Y456 HydrophobicContact CD1-CE1 4.07Å; Y276-Y456 HydrophobicContact CD1-CE2 4.01Å; Y276-Y456 AromaticContact CD1-CG 3.45Å; Y276-Y456 HydrophobicContact CD1-CG 3.45Å; Y276-Y456 VanDerWaalsContact CD1-CG 3.45Å; Y276-Y456 HydrophobicContact CD2-CD2 4.22Å; Y276-Y456 HydrophobicContact CD2-CE2 4.26Å; Y276-Y456 HydrophobicContact CE1-CD1 4.28Å; Y276-Y456 AromaticContact CE1-CD2 3.94Å; Y276-Y456 HydrophobicContact CE1-CD2 3.94Å; Y276-Y456 AromaticContact CE1-CG 3.66Å; Y276-Y456 HydrophobicContact CE1-CG 3.66Å; Y276-Y456 HydrophobicContact CE2-CD2 4.49Å; Y276-Y456 HydrophobicContact CG-CD1 4.36Å; Y276-Y456 AromaticContact CG-CD2 3.78Å; Y276-Y456 HydrophobicContact CG-CD2 3.78Å; Y276-Y456 HydrophobicContact CG-CE1 4.32Å; Y276-Y456 AromaticContact CG-CE2 3.75Å; Y276-Y456 HydrophobicContact CG-CE2 3.75Å; Y276-Y456 HydrophobicContact CG-CG 4.06Å; Y276-Y456 AromaticContact CG-CZ 4Å; Y276-E589 PolarHBondContact OH-OE1 3.22Å; Y276-M593 HydrophobicContact CD2-CE 3.67Å; Y276-M593 HydrophobicContact CE2-CE 3.36Å; Y276-M593 HydrophobicContact CE2-SD 4.26Å; Y276-M593 HydrophobicContact CG-CE 4.48Å
277	L	91.8	Very high	90.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.2	-43.6	-179.6	-69.2	166.1	0	0	0	112.1	I256 L273 A274 W279 I280 G281 I282 T284 I339	I256-L277 HydrophobicContact CD1-CD1 4.43Å; L273-L277 HydrophobicContact CD1-CD1 3.93Å; L273-L277 HydrophobicContact CD1-CG 4.26Å; L273-L277 HydrophobicContact CG-CD1 3.8Å; L273-L277 WeakPolarHBondContact O-CB 3.41Å; L273-L277 VanDerWaalsContact O-CG 3.29Å; L273-L277 WeakPolarHBondContact O-CG 3.24Å; L273-L277 PolarHBondContact O-N 3.31Å; A274-L277 PolarHBondContact O-N 3.34Å; L277-W279 PolarHBondContact O-N 2.8Å; L277-I280 HydrophobicContact CD2-CD1 4.4Å; L277-I280 CarbonylContact O-C 3.57Å; L277-I280 WeakPolarHBondContact O-CG1 3.34Å; L277-I280 PolarHBondContact O-N 2.62Å; L277-G281 PolarHBondContact O-N 3.17Å; L277-I282 CarbonylContact C-O 3.59Å; L277-I282 HydrophobicContact CB-CB 4.45Å; L277-I282 HydrophobicContact CD2-CD1 4.23Å; L277-I282 PolarHBondContact O-N 2.89Å; L277-T284 HydrophobicContact CB-CG2 4.32Å; L277-T284 WeakPolarHBondContact CB-OG1 3.29Å; L277-T284 HydrophobicContact CD1-CG2 3.94Å; L277-I339 HydrophobicContact CD1-CD1 3.91Å; L277-I339 HydrophobicContact CD1-CG2 4.41Å; L277-I339 HydrophobicContact CD2-CD1 4.17Å
278	N	90.1	Very high	90.7	Very high	3 Å²	3	10.7 Å²	10.7	2%	0.016	5%	0.052	C	C	.	.	H	α-helix	trans	-64.7	-37.8	174.4	-75.8	-27.3	0	0	0	112.7	V234 T236 P238 F239 A274 Y276 I280 G281 I282 T284	V234-N278 VanDerWaalsContact CG1-ND2 3.26Å; V234-N278 WeakPolarHBondContact CG1-ND2 3.49Å; T236-N278 PolarHBondContact O-ND2 2.79Å; P238-N278 WeakPolarHBondContact CA-O 3.44Å; F239-N278 PolarHBondContact N-O 3Å; A274-N278 WeakPolarHBondContact O-CB 3.47Å; A274-N278 PolarHBondContact O-N 2.96Å; A274-N278 PolarHBondContact O-ND2 2.92Å; Y276-N278 PolarHBondContact O-N 3.08Å; N278-I280 VanDerWaalsContact C-N 3.34Å; N278-G281 WeakPolarHBondContact O-CA 3.36Å; N278-G281 PolarHBondContact O-N 2.92Å; N278-I282 PolarHBondContact OD1-O 3.46Å; N278-I282 VanDerWaalsContact OD1-O 3.1Å; N278-T284 PolarHBondContact ND2-O 3.03Å; N278-T284 PolarHBondContact OD1-N 3.21Å; N278-T284 PolarHBondContact OD1-O 2.92Å
279	W	89.4	Confident	90.8	Very high	6 Å²	6	10.7 Å²	10.7	2%	0.023	5%	0.054	C	C	.	.	H	α-helix	trans	-66.7	-33.2	176.5	-174.3	90.6	0	0	0	112.2	F239 R275 Y276 L277 G281 V585 L588 E589 I592 C612 Y616	F239-W279 WeakPolarHBondContact CD2-O 3.3Å; F239-W279 HydrophobicContact CE2-CB 4.47Å; F239-W279 AromaticContact CE2-CD1 3.36Å; F239-W279 AromaticContact CE2-CG 3.92Å; F239-W279 HydrophobicContact CE2-CG 3.92Å; F239-W279 AromaticContact CE2-NE1 3.75Å; F239-W279 AromaticContact CZ-CD1 3.53Å; F239-W279 HydrophobicContact CZ-CG 4.28Å; R275-W279 VanDerWaalsContact O-CB 3.27Å; R275-W279 WeakPolarHBondContact O-CB 3.23Å; R275-W279 PolarHBondContact O-N 2.81Å; Y276-W279 PolarHBondContact O-N 3.11Å; L277-W279 PolarHBondContact O-N 2.8Å; W279-G281 VanDerWaalsContact C-N 3.26Å; W279-G281 PolarHBondContact O-N 2.88Å; W279-V585 HydrophobicContact CD2-CG1 4Å; W279-V585 HydrophobicContact CE3-CG1 4Å; W279-V585 HydrophobicContact CH2-CB 4.44Å; W279-V585 HydrophobicContact CH2-CG1 3.9Å; W279-V585 WeakPolarHBondContact CH2-O 3.06Å; W279-V585 HydrophobicContact CZ2-CB 4.26Å; W279-V585 HydrophobicContact CZ2-CG1 3.92Å; W279-V585 HydrophobicContact CZ2-CG2 4.14Å; W279-V585 HydrophobicContact CZ3-CG1 3.94Å; W279-V585 VanDerWaalsContact O-CG1 3.29Å; W279-V585 WeakPolarHBondContact O-CG1 3.35Å; W279-L588 HydrophobicContact CH2-CB 4Å; W279-L588 HydrophobicContact CZ2-CB 4.37Å; W279-E589 HydrophobicContact CZ3-CB 4.24Å; W279-I592 HydrophobicContact CH2-CD1 4.47Å; W279-I592 HydrophobicContact CH2-CG1 3.51Å; W279-I592 HydrophobicContact CZ2-CD1 4.35Å; W279-I592 HydrophobicContact CZ2-CG1 3.85Å; W279-I592 HydrophobicContact CZ3-CG1 3.88Å; W279-C612 PolarHBondContact NE1-O 3.35Å; W279-Y616 HydrophobicContact CB-CD2 4.21Å; W279-Y616 HydrophobicContact CD2-CD2 4.14Å; W279-Y616 AromaticContact CG-CD2 3.96Å; W279-Y616 HydrophobicContact CG-CD2 3.96Å
280	I	87.9	Confident	90.6	Very high	19 Å²	19	11.1 Å²	11.1	10%	0.097	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	15.2	168.3	70.4	166.2	0	0	0	113.9	I241 Y276 L277 N278 I282	I241-I280 VanDerWaalsContact CD1-O 3.28Å; I241-I280 WeakPolarHBondContact CD1-O 3.44Å; Y276-I280 HydrophobicContact CD2-CG2 4.05Å; Y276-I280 HydrophobicContact CE1-CD1 4.38Å; Y276-I280 HydrophobicContact CE2-CD1 4.13Å; Y276-I280 HydrophobicContact CE2-CG1 4.47Å; Y276-I280 HydrophobicContact CE2-CG2 3.69Å; Y276-I280 PolarHBondContact O-N 2.1Å; L277-I280 HydrophobicContact CD2-CD1 4.4Å; L277-I280 CarbonylContact O-C 3.57Å; L277-I280 WeakPolarHBondContact O-CG1 3.34Å; L277-I280 PolarHBondContact O-N 2.62Å; N278-I280 VanDerWaalsContact C-N 3.34Å; I280-I282 HydrophobicContact CD1-CD1 3.9Å; I280-I282 HydrophobicContact CG1-CD1 4.21Å; I280-I282 HydrophobicContact CG1-CG1 4.29Å
281	G	84.9	Confident	90.2	Very high	10 Å²	10	12.4 Å²	12.4	10%	0.103	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	12	171.1	0	0	0	0	0	116.9	F239 L277 N278 W279	F239-G281 VanDerWaalsContact O-CA 3.32Å; F239-G281 WeakPolarHBondContact O-CA 3.09Å; L277-G281 PolarHBondContact O-N 3.17Å; N278-G281 WeakPolarHBondContact O-CA 3.36Å; N278-G281 PolarHBondContact O-N 2.92Å; W279-G281 VanDerWaalsContact C-N 3.26Å; W279-G281 PolarHBondContact O-N 2.88Å
282	I	87.8	Confident	90.2	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	6%	0.064	C	C	.	.			trans	-98.8	113.1	179.2	-54.8	176.4	0	0	0	110	I247 L277 N278 I280 T284 I339	I247-I282 HydrophobicContact CG2-CD1 4.41Å; L277-I282 CarbonylContact C-O 3.59Å; L277-I282 HydrophobicContact CB-CB 4.45Å; L277-I282 HydrophobicContact CD2-CD1 4.23Å; L277-I282 PolarHBondContact O-N 2.89Å; N278-I282 PolarHBondContact OD1-O 3.46Å; N278-I282 VanDerWaalsContact OD1-O 3.1Å; I280-I282 HydrophobicContact CD1-CD1 3.9Å; I280-I282 HydrophobicContact CG1-CD1 4.21Å; I280-I282 HydrophobicContact CG1-CG1 4.29Å; I282-T284 PolarHBondContact O-N 2.78Å; I282-T284 PolarHBondContact O-OG1 3.39Å; I282-I339 HydrophobicContact CG2-CD1 3.5Å; I282-I339 HydrophobicContact CG2-CG1 3.92Å
283	S	89.1	Confident	90.1	Very high	18 Å²	18	11.8 Å²	11.8	13%	0.126	6%	0.064	C	C	.	.			trans	-59.3	107	-173.6	-164.8	0	0	0	0	112.7	Q336 S338 I339	S283-Q336 PolarHBondContact OG-O 3.12Å; S283-S338 WeakPolarHBondContact O-CA 3.39Å; S283-S338 PolarHBondContact O-N 3.16Å; S283-I339 PolarHBondContact O-N 3.46Å
284	T	91.4	Very high	89.7	Confident	4 Å²	4	15.6 Å²	15.6	3%	0.025	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.9	-170.6	-52	0	0	0	0	112.6	A274 L277 N278 I282 I339 V341	A274-T284 HydrophobicContact CB-CG2 3.71Å; L277-T284 HydrophobicContact CB-CG2 4.32Å; L277-T284 WeakPolarHBondContact CB-OG1 3.29Å; L277-T284 HydrophobicContact CD1-CG2 3.94Å; N278-T284 PolarHBondContact ND2-O 3.03Å; N278-T284 PolarHBondContact OD1-N 3.21Å; N278-T284 PolarHBondContact OD1-O 2.92Å; I282-T284 PolarHBondContact O-N 2.78Å; I282-T284 PolarHBondContact O-OG1 3.39Å; T284-I339 VanDerWaalsContact CA-O 3.27Å; T284-I339 WeakPolarHBondContact CA-O 3.46Å; T284-I339 HydrophobicContact CG2-CB 4Å; T284-I339 HydrophobicContact CG2-CG2 3.98Å; T284-V341 HydrophobicContact CG2-CG2 3.81Å
285	R	92.5	Very high	89.2	Confident	45 Å²	45	20.5 Å²	20.5	17%	0.17	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.2	177.3	-177.3	174.1	175.6	-168.6	-5.1	111.7	P229 F287 W331 I339 V341	P229-R285 PolarHBondContact O-NH2 2.83Å; R285-F287 HydrophobicContact CB-CE2 3.89Å; R285-F287 HydrophobicContact CB-CZ 4.44Å; R285-F287 HydrophobicContact CG-CD2 4.43Å; R285-F287 HydrophobicContact CG-CE2 3.85Å; R285-F287 HydrophobicContact CG-CZ 4.13Å; R285-W331 HydrophobicContact CB-CD2 4.35Å; R285-W331 HydrophobicContact CB-CE3 4.14Å; R285-W331 HydrophobicContact CB-CH2 3.47Å; R285-W331 VanDerWaalsContact CB-CH2 3.47Å; R285-W331 HydrophobicContact CB-CZ2 3.71Å; R285-W331 HydrophobicContact CB-CZ3 3.7Å; R285-I339 PolarHBondContact N-O 3.14Å; R285-V341 PolarHBondContact O-N 2.8Å
286	V	93.3	Very high	88.5	Confident	5 Å²	5	22.5 Å²	22.5	3%	0.03	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.7	175.5	-173.1	0	0	0	0	110.7	K271 A274 V341 D343	K271-V286 HydrophobicContact CG-CG2 4.41Å; A274-V286 HydrophobicContact CB-CG2 3.59Å; V286-V341 WeakPolarHBondContact CA-O 3.49Å; V286-V341 HydrophobicContact CG2-CB 4.26Å; V286-D343 HydrophobicContact CG1-CB 4.2Å
287	F	94.3	Very high	87.7	Confident	3 Å²	3	23.9 Å²	23.9	1%	0.013	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	91.8	175.9	-66.1	-100.4	0	0	0	108.1	R285 D327 W331 A340 V341 D343	R285-F287 HydrophobicContact CB-CE2 3.89Å; R285-F287 HydrophobicContact CB-CZ 4.44Å; R285-F287 HydrophobicContact CG-CD2 4.43Å; R285-F287 HydrophobicContact CG-CE2 3.85Å; R285-F287 HydrophobicContact CG-CZ 4.13Å; F287-D327 HydrophobicContact CE1-CB 4.34Å; F287-D327 WeakPolarHBondContact CE1-O 3.46Å; F287-W331 HydrophobicContact CE2-CD2 4.42Å; F287-W331 AromaticContact CE2-CE3 3.9Å; F287-W331 HydrophobicContact CE2-CE3 3.9Å; F287-W331 HydrophobicContact CE2-CZ3 4.44Å; F287-W331 HydrophobicContact CZ-CB 3.89Å; F287-W331 HydrophobicContact CZ-CD2 4.06Å; F287-W331 AromaticContact CZ-CE3 3.96Å; F287-W331 HydrophobicContact CZ-CE3 3.96Å; F287-W331 HydrophobicContact CZ-CG 4.05Å; F287-A340 HydrophobicContact CD2-CB 4.04Å; F287-A340 HydrophobicContact CE2-CB 3.79Å; F287-V341 PolarHBondContact N-O 2.85Å; F287-D343 PolarHBondContact O-N 3.11Å
288	N	91.2	Very high	86.6	Confident	15 Å²	15	30.6 Å²	30.6	8%	0.08	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	110.8	-173.8	-178.1	-82.6	0	0	0	111.9	G290 E291 Y292 D343	N288-G290 PolarHBondContact O-N 2.89Å; N288-G290 VanDerWaalsContact O-N 3.08Å; N288-G290 WeakPolarHBondContact OD1-CA 3.4Å; N288-G290 PolarHBondContact OD1-N 3.06Å; N288-E291 HydrophobicContact CB-CB 4.46Å; N288-E291 HydrophobicContact CB-CG 4.15Å; N288-E291 WeakPolarHBondContact O-CB 3.42Å; N288-E291 PolarHBondContact O-N 3.02Å; N288-E291 PolarHBondContact OD1-N 2.94Å; N288-E291 VanDerWaalsContact OD1-N 3.1Å; N288-Y292 WeakPolarHBondContact O-CD2 3.36Å; N288-Y292 PolarHBondContact O-N 2.81Å; N288-D343 PolarHBondContact ND2-OD2 3.06Å
289	L	89.9	Confident	85.1	Confident	32 Å²	32	32.9 Å²	32.9	17%	0.168	19%	0.19	C	C	.	.	H	α-helix	trans	-59.9	-24.9	-179.4	178.6	55.8	0	0	0	113.5	E291 R293 C320 A321 D343 A344	L289-E291 VanDerWaalsContact C-N 3.29Å; L289-E291 PolarHBondContact O-N 2.95Å; L289-R293 WeakPolarHBondContact O-CB 3.47Å; L289-R293 PolarHBondContact O-N 3.45Å; L289-R293 VanDerWaalsContact O-N 3.13Å; L289-C320 VanDerWaalsContact CD1-C 3.49Å; L289-C320 HydrophobicContact CD1-CB 3.66Å; L289-A321 HydrophobicContact CD1-CB 3.96Å; L289-A321 HydrophobicContact CD2-CB 3.81Å; L289-D343 PolarHBondContact N-O 3.22Å; L289-A344 HydrophobicContact CB-CB 3.94Å; L289-A344 HydrophobicContact CD2-CB 3.59Å; L289-A344 HydrophobicContact CG-CB 4.43Å
290	G	85.7	Confident	84.1	Confident	19 Å²	19	34.3 Å²	34.3	20%	0.196	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-32.6	174.5	0	0	0	0	0	113.4	N288 R293 R294	N288-G290 PolarHBondContact O-N 2.89Å; N288-G290 VanDerWaalsContact O-N 3.08Å; N288-G290 WeakPolarHBondContact OD1-CA 3.4Å; N288-G290 PolarHBondContact OD1-N 3.06Å; G290-R293 PolarHBondContact O-NE 2.75Å; G290-R293 PolarHBondContact O-NH2 3.36Å; G290-R294 WeakPolarHBondContact O-CG 3.39Å; G290-R294 PolarHBondContact O-N 2.76Å; G290-R294 PolarHBondContact O-NE 2.76Å
291	E	85.8	Confident	83.4	Confident	27 Å²	27	41.3 Å²	41.3	13%	0.126	23%	0.225	C	C	.	.	H	α-helix	trans	-75.7	-49.2	176.7	-68.3	164.1	-162.3	0	0	110.9	K271 N288 L289 R293 R294 H295	K271-E291 IonicContact NZ-OE1 3.48Å; N288-E291 HydrophobicContact CB-CB 4.46Å; N288-E291 HydrophobicContact CB-CG 4.15Å; N288-E291 WeakPolarHBondContact O-CB 3.42Å; N288-E291 PolarHBondContact O-N 3.02Å; N288-E291 PolarHBondContact OD1-N 2.94Å; N288-E291 VanDerWaalsContact OD1-N 3.1Å; L289-E291 VanDerWaalsContact C-N 3.29Å; L289-E291 PolarHBondContact O-N 2.95Å; E291-R293 VanDerWaalsContact C-N 3.34Å; E291-R293 PolarHBondContact O-N 2.74Å; E291-R294 PolarHBondContact O-N 3.03Å; E291-H295 PolarHBondContact O-N 3.41Å; E291-H295 VanDerWaalsContact O-N 3.13Å; E291-H295 PolarHBondContact O-ND1 2.67Å
292	Y	89.2	Confident	83.4	Confident	10 Å²	10	41.9 Å²	41.9	4%	0.039	23%	0.228	C	C	.	.	H	α-helix	trans	-52.8	-49.2	175	-79.9	-96.2	0	0	0	112.5	P229 N288 R294 H295 A296 Q323 A324 D327	P229-Y292 HydrophobicContact CG-CD1 3.86Å; P229-Y292 HydrophobicContact CG-CD2 3.71Å; P229-Y292 HydrophobicContact CG-CE1 3.74Å; P229-Y292 HydrophobicContact CG-CE2 3.57Å; P229-Y292 HydrophobicContact CG-CG 3.84Å; N288-Y292 WeakPolarHBondContact O-CD2 3.36Å; N288-Y292 PolarHBondContact O-N 2.81Å; Y292-R294 VanDerWaalsContact C-N 3.32Å; Y292-R294 PolarHBondContact O-N 3.49Å; Y292-H295 PolarHBondContact O-N 3.21Å; Y292-A296 WeakPolarHBondContact O-CB 3.4Å; Y292-A296 PolarHBondContact O-N 3.27Å; Y292-Q323 HydrophobicContact CD1-CG 4.35Å; Y292-Q323 HydrophobicContact CE1-CG 4.2Å; Y292-A324 HydrophobicContact CD1-CB 3.88Å; Y292-A324 HydrophobicContact CD2-CB 3.57Å; Y292-A324 HydrophobicContact CE1-CB 3.91Å; Y292-A324 HydrophobicContact CE2-CB 3.61Å; Y292-A324 HydrophobicContact CG-CB 3.72Å; Y292-D327 WeakPolarHBondContact CE1-OD2 3.46Å; Y292-D327 PolarHBondContact OH-OD2 3.27Å
293	R	88.3	Confident	83.4	Confident	12 Å²	12	43.1 Å²	43.1	5%	0.045	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-35.4	176.9	168	-136.9	52.4	155.8	-7.1	112.5	L289 G290 E291 A296 T297 F305 D393	L289-R293 WeakPolarHBondContact O-CB 3.47Å; L289-R293 PolarHBondContact O-N 3.45Å; L289-R293 VanDerWaalsContact O-N 3.13Å; G290-R293 PolarHBondContact O-NE 2.75Å; G290-R293 PolarHBondContact O-NH2 3.36Å; E291-R293 VanDerWaalsContact C-N 3.34Å; E291-R293 PolarHBondContact O-N 2.74Å; R293-A296 PolarHBondContact O-N 2.96Å; R293-T297 PolarHBondContact O-N 3.37Å; R293-F305 HydrophobicContact CG-CE1 4.1Å; R293-F305 HydrophobicContact CG-CZ 4.3Å; R293-D393 IonicContact CZ-OD1 2.84Å; R293-D393 IonicContact CZ-OD2 2.68Å; R293-D393 IonicContact NH1-OD1 3.48Å; R293-D393 IonicContact NH1-OD2 2.71Å; R293-D393 PolarHBondContact NH1-OD2 3.3Å; R293-D393 VanDerWaalsContact NH2-CG 3.32Å; R293-D393 IonicContact NH2-OD1 3.88Å; R293-D393 PolarHBondContact NH2-OD1 3.04Å; R293-D393 IonicContact NH2-OD2 2.67Å; R293-D393 PolarHBondContact NH2-OD2 2.71Å; R293-D393 VanDerWaalsContact NH2-OD2 3.09Å
294	R	84.2	Confident	83.4	Confident	79 Å²	79	47.4 Å²	47.4	30%	0.298	25%	0.251	S	S	.	.	H	α-helix	trans	-68.2	-35.6	177.1	-82.5	-175.4	-65.4	-102.1	1.4	112.8	G290 E291 Y292 D393	G290-R294 WeakPolarHBondContact O-CG 3.39Å; G290-R294 PolarHBondContact O-N 2.76Å; G290-R294 PolarHBondContact O-NE 2.76Å; E291-R294 PolarHBondContact O-N 3.03Å; Y292-R294 VanDerWaalsContact C-N 3.32Å; Y292-R294 PolarHBondContact O-N 3.49Å; R294-D393 IonicContact CZ-OD1 2.74Å; R294-D393 IonicContact NH1-OD1 2.68Å; R294-D393 PolarHBondContact NH1-OD1 3.17Å
295	H	81.6	Confident	83.2	Confident	103 Å²	103	48 Å²	48	48%	0.477	25%	0.254	S	S	.	.	H	α-helix	trans	-73.3	-40.3	175	-67.1	79.8	0	0	0	111.3	E291 Y292	E291-H295 PolarHBondContact O-N 3.41Å; E291-H295 VanDerWaalsContact O-N 3.13Å; E291-H295 PolarHBondContact O-ND1 2.67Å; Y292-H295 PolarHBondContact O-N 3.21Å
296	A	77.8	Confident	83	Confident	61 Å²	61	46.1 Å²	46.1	50%	0.504	25%	0.247	S	C	.	.	H	α-helix	trans	-73.1	-23.1	-179.1	0	0	0	0	0	114.6	Y292 R293 C320	Y292-A296 WeakPolarHBondContact O-CB 3.4Å; Y292-A296 PolarHBondContact O-N 3.27Å; R293-A296 PolarHBondContact O-N 2.96Å; A296-C320 VanDerWaalsContact CB-SG 3.54Å
297	T	74.8	Confident	82.7	Confident	29 Å²	29	49.8 Å²	49.8	18%	0.178	26%	0.26	C	S	.	.			trans	-156.6	136	175.3	-170.5	0	0	0	0	114.6	R293 A299 F305 I316	R293-T297 PolarHBondContact O-N 3.37Å; T297-A299 VanDerWaalsContact C-N 3.31Å; T297-A299 WeakPolarHBondContact OG1-CB 3.46Å; T297-A299 PolarHBondContact OG1-N 3.32Å; T297-F305 HydrophobicContact CG2-CE2 4.08Å; T297-F305 HydrophobicContact CG2-CZ 4.05Å; T297-I316 HydrophobicContact CG2-CG2 4.04Å
298	T	69.3	Low	82.3	Confident	142 Å²	142	50.7 Å²	50.7	87%	0.871	27%	0.268	S	S	*	.	S	Bend	trans	-85.7	0.8	166.7	53.6	0	0	0	0	112.9	Y300	T298-Y300 PolarHBondContact O-N 3.03Å
299	A	58.3	Low	82.2	Confident	50 Å²	50	54.7 Å²	54.7	41%	0.413	29%	0.289	S	S	.	.			trans	-73.7	11.1	-175.6	0	0	0	0	0	114.9	T297 K301	T297-A299 VanDerWaalsContact C-N 3.31Å; T297-A299 WeakPolarHBondContact OG1-CB 3.46Å; T297-A299 PolarHBondContact OG1-N 3.32Å; A299-K301 PolarHBondContact O-N 2.95Å
300	Y	68.8	Low	82.2	Confident	37 Å²	37	55.5 Å²	55.5	15%	0.145	29%	0.294	C	S	.	.			trans	-65.9	118.1	169.6	-167.3	-75.5	0	0	0	109.8	T298 F306 D393 Y394 D405 R409	T298-Y300 PolarHBondContact O-N 3.03Å; Y300-F306 HydrophobicContact CD2-CE2 4.17Å; Y300-F306 HydrophobicContact CD2-CZ 4.19Å; Y300-F306 AromaticContact CE2-CE2 3.41Å; Y300-F306 HydrophobicContact CE2-CE2 3.41Å; Y300-F306 VanDerWaalsContact CE2-CE2 3.41Å; Y300-F306 AromaticContact CE2-CZ 3.64Å; Y300-F306 HydrophobicContact CE2-CZ 3.64Å; Y300-D393 HydrophobicContact CD1-CB 4.43Å; Y300-D393 WeakPolarHBondContact CD1-O 3.47Å; Y300-D393 HydrophobicContact CE1-CB 4.16Å; Y300-D393 WeakPolarHBondContact CE1-O 3.41Å; Y300-D393 HydrophobicContact CE2-CB 4.16Å; Y300-D393 WeakPolarHBondContact CE2-OD2 3.29Å; Y300-Y394 HydrophobicContact CE1-CE1 4.33Å; Y300-Y394 VanDerWaalsContact OH-CZ 3.22Å; Y300-Y394 PolarHBondContact OH-OH 3.44Å; Y300-D405 PolarHBondContact OH-OD2 2.77Å; Y300-R409 PolarHBondContact OH-NH1 3.13Å
301	K	72.8	Confident	82.4	Confident	166 Å²	166	62.5 Å²	62.5	72%	0.722	32%	0.322	S	S	*	.			trans	-131	-31.9	175.7	-63.9	-178	-177.8	177.9	0	113.2	A299 M397	A299-K301 PolarHBondContact O-N 2.95Å; K301-M397 WeakPolarHBondContact O-CE 3.45Å
302	S	84.6	Confident	82.5	Confident	21 Å²	21	68.2 Å²	68.2	15%	0.147	35%	0.348	C	S	.	.	S	Bend	trans	-164.4	175.4	-173.8	61.8	0	0	0	0	110.7	E304 F305 D405	S302-E304 PolarHBondContact O-N 2.85Å; S302-E304 VanDerWaalsContact O-N 3.09Å; S302-E304 WeakPolarHBondContact OG-CB 3.29Å; S302-E304 WeakPolarHBondContact OG-CG 3.45Å; S302-E304 PolarHBondContact OG-N 3Å; S302-E304 PolarHBondContact OG-OE2 3.33Å; S302-F305 PolarHBondContact O-N 3.08Å; S302-D405 VanDerWaalsContact CA-OD1 3.27Å; S302-D405 WeakPolarHBondContact CA-OD1 3.14Å
303	H	88.1	Confident	82.4	Confident	27 Å²	27	67.9 Å²	67.9	13%	0.125	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-54.2	-19	168.9	69.6	89.5	0	0	0	114.1	F305 F306 D405 Q408 R409 H412	H303-F305 PolarHBondContact O-N 3.41Å; H303-F306 WeakPolarHBondContact O-CB 3.39Å; H303-F306 PolarHBondContact O-N 3.48Å; H303-D405 IonicContact CD2-OD1 2.83Å; H303-D405 PolarHBondContact CD2-OD1 2.69Å; H303-D405 IonicContact CG-OD1 3.54Å; H303-D405 PolarHBondContact N-OD1 3.48Å; H303-Q408 HydrophobicContact CB-CB 4.16Å; H303-Q408 PolarHBondContact NE2-NE2 3.42Å; H303-R409 HydrophobicContact CB-CB 3.89Å; H303-H412 AromaticContact ND1-CD2 3.54Å
304	E	88.8	Confident	82.4	Confident	108 Å²	108	69.8 Å²	69.8	51%	0.505	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-62.6	-24.3	-178.1	-62	176.5	121.8	0	0	113.3	S302 F306 R307 N310	S302-E304 PolarHBondContact O-N 2.85Å; S302-E304 VanDerWaalsContact O-N 3.09Å; S302-E304 WeakPolarHBondContact OG-CB 3.29Å; S302-E304 WeakPolarHBondContact OG-CG 3.45Å; S302-E304 PolarHBondContact OG-N 3Å; S302-E304 PolarHBondContact OG-OE2 3.33Å; E304-F306 PolarHBondContact O-N 2.96Å; E304-R307 WeakPolarHBondContact O-CG 3.43Å; E304-R307 PolarHBondContact O-N 3.02Å; E304-N310 PolarHBondContact O-ND2 3.28Å
305	F	88.1	Confident	82.6	Confident	17 Å²	17	68.5 Å²	68.5	8%	0.075	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-63.3	-21.2	171.4	-175	-90.4	0	0	0	112.8	R293 T297 S302 H303 A313 I316 R317	R293-F305 HydrophobicContact CG-CE1 4.1Å; R293-F305 HydrophobicContact CG-CZ 4.3Å; T297-F305 HydrophobicContact CG2-CE2 4.08Å; T297-F305 HydrophobicContact CG2-CZ 4.05Å; S302-F305 PolarHBondContact O-N 3.08Å; H303-F305 PolarHBondContact O-N 3.41Å; F305-A313 HydrophobicContact CD1-CB 4.26Å; F305-A313 HydrophobicContact CD2-CB 3.53Å; F305-A313 HydrophobicContact CE1-CB 4.32Å; F305-A313 HydrophobicContact CE2-CB 3.59Å; F305-A313 HydrophobicContact CG-CB 3.88Å; F305-A313 HydrophobicContact CZ-CB 4Å; F305-A313 WeakPolarHBondContact O-CB 3.36Å; F305-I316 HydrophobicContact CZ-CB 4.45Å; F305-I316 HydrophobicContact CZ-CG2 4.14Å; F305-R317 HydrophobicContact CE1-CG 3.75Å; F305-R317 HydrophobicContact CZ-CG 4.35Å; F305-R317 PolarHBondContact O-NE 3.34Å; F305-R317 PolarHBondContact O-NH2 3.23Å
306	F	88.1	Confident	82.9	Confident	5 Å²	5	65.1 Å²	65.1	2%	0.022	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-95.9	-11	-176.5	-60.1	-79.6	0	0	0	114.5	Y300 H303 E304 R317 R409 H412 Y413	Y300-F306 HydrophobicContact CD2-CE2 4.17Å; Y300-F306 HydrophobicContact CD2-CZ 4.19Å; Y300-F306 AromaticContact CE2-CE2 3.41Å; Y300-F306 HydrophobicContact CE2-CE2 3.41Å; Y300-F306 VanDerWaalsContact CE2-CE2 3.41Å; Y300-F306 AromaticContact CE2-CZ 3.64Å; Y300-F306 HydrophobicContact CE2-CZ 3.64Å; H303-F306 WeakPolarHBondContact O-CB 3.39Å; H303-F306 PolarHBondContact O-N 3.48Å; E304-F306 PolarHBondContact O-N 2.96Å; F306-R317 PolarHBondContact O-NH1 2.9Å; F306-R317 PolarHBondContact O-NH2 2.89Å; F306-R409 HydrophobicContact CB-CG 4.4Å; F306-R409 HydrophobicContact CD2-CG 3.7Å; F306-R409 HydrophobicContact CE2-CG 4.21Å; F306-R409 HydrophobicContact CG-CG 3.94Å; F306-R409 VanDerWaalsContact CZ-NH2 3.32Å; F306-H412 HydrophobicContact CB-CB 4.46Å; F306-Y413 HydrophobicContact CB-CE2 4.08Å; F306-Y413 AromaticContact CD1-CE2 3.68Å; F306-Y413 HydrophobicContact CD1-CE2 3.68Å; F306-Y413 AromaticContact CD1-CZ 3.99Å; F306-Y413 WeakPolarHBondContact CD1-OH 3.22Å; F306-Y413 HydrophobicContact CG-CE2 4.11Å
307	R	88.3	Confident	83.4	Confident	83 Å²	83	64 Å²	64	31%	0.313	33%	0.331	S	S	.	.			trans	-52.6	154.6	-176.6	-65.4	170.5	61.9	108.8	3.3	113.4	E304 D309 N310 R317	E304-R307 WeakPolarHBondContact O-CG 3.43Å; E304-R307 PolarHBondContact O-N 3.02Å; R307-D309 VanDerWaalsContact C-N 3.32Å; R307-D309 WeakPolarHBondContact CB-OD1 3.16Å; R307-D309 IonicContact CZ-OD1 3.63Å; R307-D309 IonicContact CZ-OD2 3.42Å; R307-D309 IonicContact NE-OD1 2.69Å; R307-D309 PolarHBondContact NE-OD1 3.27Å; R307-D309 IonicContact NE-OD2 2.9Å; R307-D309 PolarHBondContact NE-OD2 3.1Å; R307-D309 IonicContact NH2-OD1 3.39Å; R307-D309 IonicContact NH2-OD2 3.12Å; R307-D309 PolarHBondContact NH2-OD2 3.01Å; R307-N310 HydrophobicContact CB-CB 4.25Å; R307-R317 PolarHBondContact O-NH2 3.46Å
308	A	85.4	Confident	84.1	Confident	22 Å²	22	65.9 Å²	65.9	18%	0.182	34%	0.341	C	S	.	.	S	Bend	trans	-72.5	-20	179.7	0	0	0	0	0	114.4	M314 R416	A308-M314 WeakPolarHBondContact O-CE 3.35Å; A308-R416 PolarHBondContact O-NH2 2.93Å
309	D	89.1	Confident	85.1	Confident	98 Å²	98	67.8 Å²	67.8	52%	0.524	33%	0.332	S	S	.	.	S	Bend	trans	-104	-7.8	-178.2	58.9	-4.4	0	0	0	113.8	R307 E311	R307-D309 VanDerWaalsContact C-N 3.32Å; R307-D309 WeakPolarHBondContact CB-OD1 3.16Å; R307-D309 IonicContact CZ-OD1 3.63Å; R307-D309 IonicContact CZ-OD2 3.42Å; R307-D309 IonicContact NE-OD1 2.69Å; R307-D309 PolarHBondContact NE-OD1 3.27Å; R307-D309 IonicContact NE-OD2 2.9Å; R307-D309 PolarHBondContact NE-OD2 3.1Å; R307-D309 IonicContact NH2-OD1 3.39Å; R307-D309 IonicContact NH2-OD2 3.12Å; R307-D309 PolarHBondContact NH2-OD2 3.01Å; D309-E311 PolarHBondContact O-N 3.48Å
310	N	89.6	Confident	86.7	Confident	50 Å²	50	65.5 Å²	65.5	27%	0.267	31%	0.313	S	S	.	.			trans	-80.6	83.2	178	-171	-23.8	0	0	0	110.5	E304 R307 E312 A313 M314	E304-N310 PolarHBondContact O-ND2 3.28Å; R307-N310 HydrophobicContact CB-CB 4.25Å; N310-E312 PolarHBondContact O-N 3.31Å; N310-A313 HydrophobicContact CB-CB 4.23Å; N310-A313 VanDerWaalsContact CG-CB 3.42Å; N310-A313 PolarHBondContact O-N 2.88Å; N310-A313 VanDerWaalsContact OD1-CB 3.25Å; N310-A313 WeakPolarHBondContact OD1-CB 3.29Å; N310-A313 PolarHBondContact OD1-N 2.76Å; N310-M314 WeakPolarHBondContact O-CB 3.4Å; N310-M314 PolarHBondContact O-N 2.76Å
311	E	89.7	Confident	87.8	Confident	166 Å²	166	63.9 Å²	63.9	78%	0.776	31%	0.307	S	S	*	.	H	α-helix	trans	-57.8	-42.1	-176.5	-63.9	-170.4	163.1	0	0	113.1	D309 M314 A315	D309-E311 PolarHBondContact O-N 3.48Å; E311-M314 PolarHBondContact O-N 3.29Å; E311-A315 WeakPolarHBondContact O-CB 3.44Å; E311-A315 PolarHBondContact O-N 2.84Å
312	E	88.6	Confident	88.7	Confident	147 Å²	147	58.4 Å²	58.4	69%	0.687	29%	0.286	S	S	*	.	H	α-helix	trans	-63.2	-51.8	178.8	-174.8	-175.9	-179.1	0	0	111.1	N310 M314 A315 I316	N310-E312 PolarHBondContact O-N 3.31Å; E312-M314 PolarHBondContact O-N 2.79Å; E312-A315 PolarHBondContact O-N 2.94Å; E312-A315 VanDerWaalsContact O-N 3.16Å; E312-I316 HydrophobicContact CG-CD1 4.15Å; E312-I316 WeakPolarHBondContact O-CG1 3.48Å; E312-I316 PolarHBondContact O-N 3.45Å
313	A	87.2	Confident	89	Confident	3 Å²	3	61 Å²	61	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-67.1	-26.3	177.8	0	0	0	0	0	112.4	F305 N310 R317	F305-A313 HydrophobicContact CD1-CB 4.26Å; F305-A313 HydrophobicContact CD2-CB 3.53Å; F305-A313 HydrophobicContact CE1-CB 4.32Å; F305-A313 HydrophobicContact CE2-CB 3.59Å; F305-A313 HydrophobicContact CG-CB 3.88Å; F305-A313 HydrophobicContact CZ-CB 4Å; F305-A313 WeakPolarHBondContact O-CB 3.36Å; N310-A313 HydrophobicContact CB-CB 4.23Å; N310-A313 VanDerWaalsContact CG-CB 3.42Å; N310-A313 PolarHBondContact O-N 2.88Å; N310-A313 VanDerWaalsContact OD1-CB 3.25Å; N310-A313 WeakPolarHBondContact OD1-CB 3.29Å; N310-A313 PolarHBondContact OD1-N 2.76Å; A313-R317 VanDerWaalsContact O-CB 3.29Å; A313-R317 WeakPolarHBondContact O-CB 3.29Å; A313-R317 WeakPolarHBondContact O-CG 3.42Å; A313-R317 PolarHBondContact O-N 3.08Å; A313-R317 PolarHBondContact O-NE 2.97Å
314	M	87.2	Confident	89.3	Confident	51 Å²	51	59.8 Å²	59.8	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-70.5	-42.8	171.2	-164.7	179.7	-52.9	0	0	111.5	A308 N310 E311 E312 R317 N318	A308-M314 WeakPolarHBondContact O-CE 3.35Å; N310-M314 WeakPolarHBondContact O-CB 3.4Å; N310-M314 PolarHBondContact O-N 2.76Å; E311-M314 PolarHBondContact O-N 3.29Å; E312-M314 PolarHBondContact O-N 2.79Å; M314-R317 PolarHBondContact O-N 2.66Å; M314-N318 VanDerWaalsContact O-CB 3.27Å; M314-N318 WeakPolarHBondContact O-CB 3.35Å; M314-N318 PolarHBondContact O-N 3.06Å; M314-N318 PolarHBondContact O-ND2 3.41Å
315	A	88.4	Confident	89.6	Confident	52 Å²	52	54.6 Å²	54.6	43%	0.43	27%	0.266	S	S	.	.	H	α-helix	trans	-62.4	-41.8	174.9	0	0	0	0	0	111.9	E311 E312 N318 R319	E311-A315 WeakPolarHBondContact O-CB 3.44Å; E311-A315 PolarHBondContact O-N 2.84Å; E312-A315 PolarHBondContact O-N 2.94Å; E312-A315 VanDerWaalsContact O-N 3.16Å; A315-N318 PolarHBondContact O-N 3.03Å; A315-R319 WeakPolarHBondContact O-CB 3.39Å; A315-R319 PolarHBondContact O-N 2.87Å
316	I	88.6	Confident	89.9	Confident	32 Å²	32	57.1 Å²	57.1	16%	0.164	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-51.3	173.8	-65.6	166.5	0	0	0	110.6	T297 F305 E312 N318 R319 C320	T297-I316 HydrophobicContact CG2-CG2 4.04Å; F305-I316 HydrophobicContact CZ-CB 4.45Å; F305-I316 HydrophobicContact CZ-CG2 4.14Å; E312-I316 HydrophobicContact CG-CD1 4.15Å; E312-I316 WeakPolarHBondContact O-CG1 3.48Å; E312-I316 PolarHBondContact O-N 3.45Å; I316-N318 VanDerWaalsContact C-N 3.29Å; I316-N318 PolarHBondContact O-N 3.4Å; I316-R319 PolarHBondContact O-N 2.84Å; I316-C320 PolarHBondContact O-N 2.8Å; I316-C320 PolarHBondContact O-SG 3.37Å
317	R	88.3	Confident	90.2	Very high	37 Å²	37	58.6 Å²	58.6	14%	0.14	29%	0.286	C	S	.	.	H	α-helix	trans	-56.5	-42.7	176.9	-78.7	178.7	-72.5	169.3	-7.5	111.9	F305 F306 R307 A313 M314 A321	F305-R317 HydrophobicContact CE1-CG 3.75Å; F305-R317 HydrophobicContact CZ-CG 4.35Å; F305-R317 PolarHBondContact O-NE 3.34Å; F305-R317 PolarHBondContact O-NH2 3.23Å; F306-R317 PolarHBondContact O-NH1 2.9Å; F306-R317 PolarHBondContact O-NH2 2.89Å; R307-R317 PolarHBondContact O-NH2 3.46Å; A313-R317 VanDerWaalsContact O-CB 3.29Å; A313-R317 WeakPolarHBondContact O-CB 3.29Å; A313-R317 WeakPolarHBondContact O-CG 3.42Å; A313-R317 PolarHBondContact O-N 3.08Å; A313-R317 PolarHBondContact O-NE 2.97Å; M314-R317 PolarHBondContact O-N 2.66Å; R317-A321 VanDerWaalsContact O-CB 3.31Å; R317-A321 WeakPolarHBondContact O-CB 3.17Å; R317-A321 PolarHBondContact O-N 3.24Å
318	N	89.8	Confident	90.5	Very high	69 Å²	69	54.6 Å²	54.6	37%	0.369	27%	0.271	S	S	.	.	H	α-helix	trans	-65.9	-43.1	178.5	-75.4	-20.8	0	0	0	112	M314 A315 I316 A321 N322 R351	M314-N318 VanDerWaalsContact O-CB 3.27Å; M314-N318 WeakPolarHBondContact O-CB 3.35Å; M314-N318 PolarHBondContact O-N 3.06Å; M314-N318 PolarHBondContact O-ND2 3.41Å; A315-N318 PolarHBondContact O-N 3.03Å; I316-N318 VanDerWaalsContact C-N 3.29Å; I316-N318 PolarHBondContact O-N 3.4Å; N318-A321 PolarHBondContact O-N 3Å; N318-N322 VanDerWaalsContact O-CG 3.23Å; N318-N322 PolarHBondContact O-N 3.45Å; N318-N322 PolarHBondContact O-OD1 2.99Å; N318-N322 VanDerWaalsContact O-OD1 3.06Å; N318-R351 PolarHBondContact OD1-NH2 3.16Å
319	R	90.2	Very high	91	Very high	182 Å²	182	53.6 Å²	53.6	69%	0.687	26%	0.262	S	S	*	.	H	α-helix	trans	-60.6	-48.9	175.5	-170	-176.1	-60.3	163	3.5	111.5	A315 I316 A321 N322 Q323	A315-R319 WeakPolarHBondContact O-CB 3.39Å; A315-R319 PolarHBondContact O-N 2.87Å; I316-R319 PolarHBondContact O-N 2.84Å; R319-A321 VanDerWaalsContact C-N 3.31Å; R319-A321 PolarHBondContact O-N 3.35Å; R319-N322 PolarHBondContact O-N 2.83Å; R319-Q323 WeakPolarHBondContact O-CB 3.48Å; R319-Q323 PolarHBondContact O-N 2.8Å
320	C	91.1	Very high	91.2	Very high	3 Å²	3	53 Å²	53	2%	0.02	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-40.1	178.2	-60.3	0	0	0	0	112.2	L289 A296 I316 A324	L289-C320 VanDerWaalsContact CD1-C 3.49Å; L289-C320 HydrophobicContact CD1-CB 3.66Å; A296-C320 VanDerWaalsContact CB-SG 3.54Å; I316-C320 PolarHBondContact O-N 2.8Å; I316-C320 PolarHBondContact O-SG 3.37Å; C320-A324 VanDerWaalsContact O-CB 3.27Å; C320-A324 WeakPolarHBondContact O-CB 3.25Å; C320-A324 PolarHBondContact O-N 3.37Å
321	A	91.3	Very high	91.4	Very high	2 Å²	2	51.9 Å²	51.9	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-70.2	-35.4	179.8	0	0	0	0	0	112.8	L289 R317 N318 R319 L325 F342	L289-A321 HydrophobicContact CD1-CB 3.96Å; L289-A321 HydrophobicContact CD2-CB 3.81Å; R317-A321 VanDerWaalsContact O-CB 3.31Å; R317-A321 WeakPolarHBondContact O-CB 3.17Å; R317-A321 PolarHBondContact O-N 3.24Å; N318-A321 PolarHBondContact O-N 3Å; R319-A321 VanDerWaalsContact C-N 3.31Å; R319-A321 PolarHBondContact O-N 3.35Å; A321-L325 WeakPolarHBondContact O-CB 3.36Å; A321-L325 PolarHBondContact O-N 3.16Å; A321-F342 WeakPolarHBondContact O-CZ 3.45Å
322	N	92	Very high	91.5	Very high	52 Å²	52	44.2 Å²	44.2	28%	0.278	22%	0.215	S	C	.	.	H	α-helix	trans	-73.7	-42.7	176.4	-66.2	15.8	0	0	0	110.7	N318 R319 L325 H326 R351	N318-N322 VanDerWaalsContact O-CG 3.23Å; N318-N322 PolarHBondContact O-N 3.45Å; N318-N322 PolarHBondContact O-OD1 2.99Å; N318-N322 VanDerWaalsContact O-OD1 3.06Å; R319-N322 PolarHBondContact O-N 2.83Å; N322-L325 PolarHBondContact O-N 2.83Å; N322-H326 PolarHBondContact O-CD2 3.08Å; N322-H326 PolarHBondContact O-N 3.29Å; N322-R351 PolarHBondContact OD1-NH1 2.91Å
323	Q	92.1	Very high	91.7	Very high	76 Å²	76	42.1 Å²	42.1	36%	0.355	21%	0.208	S	C	.	.	H	α-helix	trans	-58.2	-54	173.9	-178.5	-179.2	-5	0	0	111.3	Y292 R319 L325 H326 D327	Y292-Q323 HydrophobicContact CD1-CG 4.35Å; Y292-Q323 HydrophobicContact CE1-CG 4.2Å; R319-Q323 WeakPolarHBondContact O-CB 3.48Å; R319-Q323 PolarHBondContact O-N 2.8Å; Q323-L325 PolarHBondContact O-N 3.32Å; Q323-L325 VanDerWaalsContact O-N 3.09Å; Q323-H326 PolarHBondContact O-N 2.92Å; Q323-D327 WeakPolarHBondContact O-CB 3.43Å; Q323-D327 VanDerWaalsContact O-CG 3.24Å; Q323-D327 PolarHBondContact O-N 2.82Å
324	A	93.1	Very high	91.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-25.1	179.7	0	0	0	0	0	113.8	Y292 C320 S328 F342	Y292-A324 HydrophobicContact CD1-CB 3.88Å; Y292-A324 HydrophobicContact CD2-CB 3.57Å; Y292-A324 HydrophobicContact CE1-CB 3.91Å; Y292-A324 HydrophobicContact CE2-CB 3.61Å; Y292-A324 HydrophobicContact CG-CB 3.72Å; C320-A324 VanDerWaalsContact O-CB 3.27Å; C320-A324 WeakPolarHBondContact O-CB 3.25Å; C320-A324 PolarHBondContact O-N 3.37Å; A324-S328 WeakPolarHBondContact O-CB 3.19Å; A324-S328 PolarHBondContact O-N 2.97Å; A324-F342 HydrophobicContact CB-CE2 3.93Å
325	L	95.3	Very high	91.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-78.6	-44.8	173.8	-177.3	64.5	0	0	0	111.4	A321 N322 Q323 S328 C329 F342 I355 I358 V359	A321-L325 WeakPolarHBondContact O-CB 3.36Å; A321-L325 PolarHBondContact O-N 3.16Å; N322-L325 PolarHBondContact O-N 2.83Å; Q323-L325 PolarHBondContact O-N 3.32Å; Q323-L325 VanDerWaalsContact O-N 3.09Å; L325-S328 WeakPolarHBondContact O-CB 3.37Å; L325-S328 PolarHBondContact O-N 2.75Å; L325-S328 PolarHBondContact O-OG 3.19Å; L325-C329 PolarHBondContact O-N 3.17Å; L325-C329 PolarHBondContact O-SG 2.67Å; L325-C329 VanDerWaalsContact O-SG 3.41Å; L325-F342 HydrophobicContact CB-CD2 4.48Å; L325-F342 HydrophobicContact CB-CE2 3.89Å; L325-F342 HydrophobicContact CB-CZ 4.15Å; L325-F342 HydrophobicContact CD1-CD2 4.36Å; L325-F342 HydrophobicContact CD1-CE2 4.46Å; L325-F342 HydrophobicContact CD1-CG 4.46Å; L325-I355 HydrophobicContact CD1-CG2 4.38Å; L325-I355 HydrophobicContact CD2-CG1 4.05Å; L325-I358 HydrophobicContact CD2-CB 4.19Å; L325-I358 HydrophobicContact CD2-CD1 3.71Å; L325-I358 HydrophobicContact CD2-CG2 4.18Å; L325-I358 HydrophobicContact CG-CG2 4.37Å; L325-V359 HydrophobicContact CD1-CG2 4.05Å
326	H	94.9	Very high	91.1	Very high	70 Å²	70	49.2 Å²	49.2	32%	0.324	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-49	174.6	-72.4	-58.8	0	0	0	111.6	N322 Q323 S328 C329 D330	N322-H326 PolarHBondContact O-CD2 3.08Å; N322-H326 PolarHBondContact O-N 3.29Å; Q323-H326 PolarHBondContact O-N 2.92Å; H326-S328 PolarHBondContact O-N 3.22Å; H326-S328 VanDerWaalsContact O-N 3.11Å; H326-C329 CarbonylContact O-C 3.54Å; H326-C329 WeakPolarHBondContact O-CA 3.48Å; H326-C329 WeakPolarHBondContact O-CB 3.35Å; H326-C329 PolarHBondContact O-N 2.95Å; H326-D330 PolarHBondContact O-N 3.09Å
327	D	94.5	Very high	91	Very high	35 Å²	35	48.1 Å²	48.1	19%	0.187	25%	0.252	C	S	.	.	H	α-helix	trans	-57.4	-31	176.3	-61.7	-2.3	0	0	0	111.7	P228 F287 Y292 Q323 W331	P228-D327 WeakPolarHBondContact CB-OD2 3.17Å; F287-D327 HydrophobicContact CE1-CB 4.34Å; F287-D327 WeakPolarHBondContact CE1-O 3.46Å; Y292-D327 WeakPolarHBondContact CE1-OD2 3.46Å; Y292-D327 PolarHBondContact OH-OD2 3.27Å; Q323-D327 WeakPolarHBondContact O-CB 3.43Å; Q323-D327 VanDerWaalsContact O-CG 3.24Å; Q323-D327 PolarHBondContact O-N 2.82Å; D327-W331 VanDerWaalsContact O-CB 3.3Å; D327-W331 WeakPolarHBondContact O-CB 3.42Å; D327-W331 PolarHBondContact O-N 3.26Å; D327-W331 VanDerWaalsContact O-N 3.14Å
328	S	94.6	Very high	91.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-74	-36.2	174.2	83.6	0	0	0	0	113.5	A324 L325 H326 L332	A324-S328 WeakPolarHBondContact O-CB 3.19Å; A324-S328 PolarHBondContact O-N 2.97Å; L325-S328 WeakPolarHBondContact O-CB 3.37Å; L325-S328 PolarHBondContact O-N 2.75Å; L325-S328 PolarHBondContact O-OG 3.19Å; H326-S328 PolarHBondContact O-N 3.22Å; H326-S328 VanDerWaalsContact O-N 3.11Å; S328-L332 WeakPolarHBondContact O-CG 3.43Å; S328-L332 PolarHBondContact O-N 2.96Å
329	C	94.9	Very high	91.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-72.1	-44	174.2	-67.6	0	0	0	0	111.5	L325 H326 W331 L332 L333 F365	L325-C329 PolarHBondContact O-N 3.17Å; L325-C329 PolarHBondContact O-SG 2.67Å; L325-C329 VanDerWaalsContact O-SG 3.41Å; H326-C329 CarbonylContact O-C 3.54Å; H326-C329 WeakPolarHBondContact O-CA 3.48Å; H326-C329 WeakPolarHBondContact O-CB 3.35Å; H326-C329 PolarHBondContact O-N 2.95Å; C329-W331 VanDerWaalsContact C-N 3.34Å; C329-W331 PolarHBondContact O-N 3.24Å; C329-L332 WeakPolarHBondContact O-CB 3.38Å; C329-L332 PolarHBondContact O-N 3.29Å; C329-L332 VanDerWaalsContact O-N 3.12Å; C329-L333 WeakPolarHBondContact O-CG 3.47Å; C329-L333 PolarHBondContact O-N 3.18Å; C329-F365 HydrophobicContact CB-CE2 4.07Å
330	D	94.3	Very high	91.6	Very high	86 Å²	86	35.7 Å²	35.7	46%	0.46	20%	0.204	S	C	.	.	H	α-helix	trans	-67	-35.6	-178.1	-67.1	-22.3	0	0	0	111.5	H326 L332 L333 S334	H326-D330 PolarHBondContact O-N 3.09Å; D330-L332 VanDerWaalsContact C-N 3.34Å; D330-L332 PolarHBondContact O-N 3Å; D330-L333 PolarHBondContact O-N 3.39Å; D330-S334 WeakPolarHBondContact O-CB 3.33Å; D330-S334 PolarHBondContact O-N 3.36Å
331	W	93	Very high	91.8	Very high	27 Å²	27	35.5 Å²	35.5	10%	0.102	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-38.9	170.7	-180	69	0	0	0	112.5	R285 F287 D327 C329 S334 G337 I339 A340	R285-W331 HydrophobicContact CB-CD2 4.35Å; R285-W331 HydrophobicContact CB-CE3 4.14Å; R285-W331 HydrophobicContact CB-CH2 3.47Å; R285-W331 VanDerWaalsContact CB-CH2 3.47Å; R285-W331 HydrophobicContact CB-CZ2 3.71Å; R285-W331 HydrophobicContact CB-CZ3 3.7Å; F287-W331 HydrophobicContact CE2-CD2 4.42Å; F287-W331 AromaticContact CE2-CE3 3.9Å; F287-W331 HydrophobicContact CE2-CE3 3.9Å; F287-W331 HydrophobicContact CE2-CZ3 4.44Å; F287-W331 HydrophobicContact CZ-CB 3.89Å; F287-W331 HydrophobicContact CZ-CD2 4.06Å; F287-W331 AromaticContact CZ-CE3 3.96Å; F287-W331 HydrophobicContact CZ-CE3 3.96Å; F287-W331 HydrophobicContact CZ-CG 4.05Å; D327-W331 VanDerWaalsContact O-CB 3.3Å; D327-W331 WeakPolarHBondContact O-CB 3.42Å; D327-W331 PolarHBondContact O-N 3.26Å; D327-W331 VanDerWaalsContact O-N 3.14Å; C329-W331 VanDerWaalsContact C-N 3.34Å; C329-W331 PolarHBondContact O-N 3.24Å; W331-S334 PolarHBondContact O-OG 3.36Å; W331-G337 VanDerWaalsContact CZ2-CA 3.43Å; W331-I339 WeakPolarHBondContact CZ3-O 3.08Å; W331-A340 HydrophobicContact CE3-CB 4.37Å; W331-A340 HydrophobicContact CZ3-CB 4.43Å
332	L	91.8	Very high	92.1	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-69.2	-44.5	173.1	-65.7	174.4	0	0	0	111.9	P253 V255 S328 C329 D330 S334 G335 A340 F365	P253-L332 HydrophobicContact CB-CB 3.93Å; P253-L332 HydrophobicContact CB-CD1 3.9Å; P253-L332 HydrophobicContact CB-CD2 4.19Å; P253-L332 HydrophobicContact CB-CG 4.21Å; P253-L332 HydrophobicContact CG-CB 4.49Å; V255-L332 HydrophobicContact CG2-CD1 3.91Å; S328-L332 WeakPolarHBondContact O-CG 3.43Å; S328-L332 PolarHBondContact O-N 2.96Å; C329-L332 WeakPolarHBondContact O-CB 3.38Å; C329-L332 PolarHBondContact O-N 3.29Å; C329-L332 VanDerWaalsContact O-N 3.12Å; D330-L332 VanDerWaalsContact C-N 3.34Å; D330-L332 PolarHBondContact O-N 3Å; L332-S334 PolarHBondContact O-N 2.98Å; L332-G335 PolarHBondContact O-N 2.94Å; L332-G335 VanDerWaalsContact O-N 3.13Å; L332-A340 HydrophobicContact CD1-CB 3.88Å; L332-A340 HydrophobicContact CD2-CB 4.34Å; L332-A340 HydrophobicContact CG-CB 4.13Å; L332-F365 HydrophobicContact CB-CE2 3.93Å; L332-F365 HydrophobicContact CB-CZ 3.97Å; L332-F365 HydrophobicContact CD1-CD2 4.04Å; L332-F365 HydrophobicContact CD1-CE2 3.96Å
333	L	92.5	Very high	92.3	Very high	102 Å²	102	33.2 Å²	33.2	53%	0.534	19%	0.191	S	C	.	.	H	α-helix	trans	-59.9	-31.4	175.9	-71.2	177.2	0	0	0	112.8	C329 D330 G335 F365	C329-L333 WeakPolarHBondContact O-CG 3.47Å; C329-L333 PolarHBondContact O-N 3.18Å; D330-L333 PolarHBondContact O-N 3.39Å; L333-G335 PolarHBondContact O-N 3.22Å; L333-F365 HydrophobicContact CD2-CE1 4.11Å; L333-F365 HydrophobicContact CD2-CZ 3.67Å; L333-F365 HydrophobicContact CG-CZ 3.9Å
334	S	89.5	Confident	92.4	Very high	61 Å²	61	30 Å²	30	43%	0.427	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-6.8	178.3	77.8	0	0	0	0	114.6	D330 W331 L332 Q336	D330-S334 WeakPolarHBondContact O-CB 3.33Å; D330-S334 PolarHBondContact O-N 3.36Å; W331-S334 PolarHBondContact O-OG 3.36Å; L332-S334 PolarHBondContact O-N 2.98Å; S334-Q336 PolarHBondContact O-N 2.94Å; S334-Q336 WeakPolarHBondContact OG-CB 3.25Å; S334-Q336 VanDerWaalsContact OG-CD 3.31Å; S334-Q336 WeakPolarHBondContact OG-CG 3.37Å; S334-Q336 PolarHBondContact OG-N 3.48Å; S334-Q336 PolarHBondContact OG-NE2 3.43Å
335	G	83.7	Confident	92.5	Very high	67 Å²	67	31.2 Å²	31.2	69%	0.691	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	2.6	-176.5	0	0	0	0	0	114.8	L332 L333 G337	L332-G335 PolarHBondContact O-N 2.94Å; L332-G335 VanDerWaalsContact O-N 3.13Å; L333-G335 PolarHBondContact O-N 3.22Å; G335-G337 VanDerWaalsContact C-N 3.3Å
336	Q	78.3	Confident	92.5	Very high	128 Å²	128	31.4 Å²	31.4	60%	0.598	19%	0.186	S	C	*	.	S	Bend	trans	-74.1	-21.8	175.5	-64.6	172.9	31.9	0	0	112.9	S283 S334	S283-Q336 PolarHBondContact OG-O 3.12Å; S334-Q336 PolarHBondContact O-N 2.94Å; S334-Q336 WeakPolarHBondContact OG-CB 3.25Å; S334-Q336 VanDerWaalsContact OG-CD 3.31Å; S334-Q336 WeakPolarHBondContact OG-CG 3.37Å; S334-Q336 PolarHBondContact OG-N 3.48Å; S334-Q336 PolarHBondContact OG-NE2 3.43Å
337	G	85.6	Confident	92.5	Very high	8 Å²	8	28.6 Å²	28.6	8%	0.082	17%	0.174	C	C	.	.			trans	-133.3	154	-168.4	0	0	0	0	0	114.1	W331 G335	W331-G337 VanDerWaalsContact CZ2-CA 3.43Å; G335-G337 VanDerWaalsContact C-N 3.3Å
338	S	90.2	Very high	92.6	Very high	27 Å²	27	28.7 Å²	28.7	19%	0.189	18%	0.175	C	C	.	.	S	Bend	trans	-114.7	-33.1	174.4	-50.8	0	0	0	0	111.9	H254 S283	H254-S338 PolarHBondContact N-O 2.84Å; S283-S338 WeakPolarHBondContact O-CA 3.39Å; S283-S338 PolarHBondContact O-N 3.16Å
339	I	93.9	Very high	92.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	120.8	-176.5	-56.4	-179.4	0	0	0	110.4	H254 I256 L277 I282 S283 T284 R285 W331 V449	H254-I339 HydrophobicContact CB-CG1 4.32Å; H254-I339 CarbonylContact O-C 3.52Å; H254-I339 WeakPolarHBondContact O-CA 3.33Å; I256-I339 HydrophobicContact CD1-CG2 3.48Å; I256-I339 VanDerWaalsContact CD1-CG2 3.48Å; I256-I339 HydrophobicContact CG1-CG2 3.76Å; L277-I339 HydrophobicContact CD1-CD1 3.91Å; L277-I339 HydrophobicContact CD1-CG2 4.41Å; L277-I339 HydrophobicContact CD2-CD1 4.17Å; I282-I339 HydrophobicContact CG2-CD1 3.5Å; I282-I339 HydrophobicContact CG2-CG1 3.92Å; S283-I339 PolarHBondContact O-N 3.46Å; T284-I339 VanDerWaalsContact CA-O 3.27Å; T284-I339 WeakPolarHBondContact CA-O 3.46Å; T284-I339 HydrophobicContact CG2-CB 4Å; T284-I339 HydrophobicContact CG2-CG2 3.98Å; R285-I339 PolarHBondContact N-O 3.14Å; W331-I339 WeakPolarHBondContact CZ3-O 3.08Å; I339-V449 HydrophobicContact CD1-CG1 3.49Å; I339-V449 VanDerWaalsContact CD1-CG1 3.49Å; I339-V449 HydrophobicContact CG1-CG1 4.34Å
340	A	96.1	Very high	92.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.1	172	0	0	0	0	0	111.1	H254 V255 I256 F287 W331 L332	H254-A340 PolarHBondContact O-N 3.3Å; V255-A340 CarbonylContact C-O 3.47Å; V255-A340 WeakPolarHBondContact CA-O 3.46Å; I256-A340 PolarHBondContact N-O 3.11Å; F287-A340 HydrophobicContact CD2-CB 4.04Å; F287-A340 HydrophobicContact CE2-CB 3.79Å; W331-A340 HydrophobicContact CE3-CB 4.37Å; W331-A340 HydrophobicContact CZ3-CB 4.43Å; L332-A340 HydrophobicContact CD1-CB 3.88Å; L332-A340 HydrophobicContact CD2-CB 4.34Å; L332-A340 HydrophobicContact CG-CB 4.13Å
341	V	96.9	Very high	92.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	105.3	177.9	-171.4	0	0	0	0	109.7	I256 M258 T284 R285 V286 F287 D343	I256-V341 HydrophobicContact CB-CG1 4.42Å; I256-V341 HydrophobicContact CB-CG2 4.36Å; I256-V341 HydrophobicContact CD1-CG2 4.31Å; I256-V341 CarbonylContact O-C 3.38Å; I256-V341 WeakPolarHBondContact O-CA 3.47Å; M258-V341 HydrophobicContact CG-CG1 4.29Å; M258-V341 HydrophobicContact SD-CG1 4.17Å; T284-V341 HydrophobicContact CG2-CG2 3.81Å; R285-V341 PolarHBondContact O-N 2.8Å; V286-V341 WeakPolarHBondContact CA-O 3.49Å; V286-V341 HydrophobicContact CG2-CB 4.26Å; F287-V341 PolarHBondContact N-O 2.85Å; V341-D343 PolarHBondContact O-N 2.92Å
342	F	97.3	Very high	93	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	95.1	-178	-175.5	-110.5	0	0	0	110.6	V255 I256 M258 A321 A324 L325 A344 N346 I355	V255-F342 HydrophobicContact CG1-CB 4.21Å; I256-F342 PolarHBondContact O-N 3.01Å; M258-F342 PolarHBondContact N-O 3.37Å; A321-F342 WeakPolarHBondContact O-CZ 3.45Å; A324-F342 HydrophobicContact CB-CE2 3.93Å; L325-F342 HydrophobicContact CB-CD2 4.48Å; L325-F342 HydrophobicContact CB-CE2 3.89Å; L325-F342 HydrophobicContact CB-CZ 4.15Å; L325-F342 HydrophobicContact CD1-CD2 4.36Å; L325-F342 HydrophobicContact CD1-CE2 4.46Å; L325-F342 HydrophobicContact CD1-CG 4.46Å; F342-A344 HydrophobicContact CD1-CB 4.37Å; F342-A344 HydrophobicContact CE1-CB 3.92Å; F342-A344 HydrophobicContact CZ-CB 4.29Å; F342-A344 PolarHBondContact O-N 2.96Å; F342-N346 WeakPolarHBondContact CD1-ND2 3.13Å; F342-I355 HydrophobicContact CD1-CD1 4.16Å; F342-I355 HydrophobicContact CE1-CD1 3.85Å; F342-I355 HydrophobicContact CE1-CG1 4.36Å
343	D	95.9	Very high	93.3	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.032	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	94.2	-176.3	-178.2	23.7	0	0	0	111.6	M258 K266 T267 V286 F287 N288 L289 V341	M258-D343 HydrophobicContact CG-CB 4.24Å; K266-D343 WeakPolarHBondContact CB-OD1 3.38Å; T267-D343 WeakPolarHBondContact CA-OD2 3.42Å; T267-D343 WeakPolarHBondContact CB-OD2 3.36Å; T267-D343 WeakPolarHBondContact CG2-OD2 3.34Å; T267-D343 PolarHBondContact OG1-OD2 2.85Å; V286-D343 HydrophobicContact CG1-CB 4.2Å; F287-D343 PolarHBondContact O-N 3.11Å; N288-D343 PolarHBondContact ND2-OD2 3.06Å; L289-D343 PolarHBondContact N-O 3.22Å; V341-D343 PolarHBondContact O-N 2.92Å
344	A	94.1	Very high	93.5	Very high	8 Å²	8	36.5 Å²	36.5	7%	0.066	21%	0.208	C	C	.	.	S	Bend	trans	-141.1	174.7	175.1	0	0	0	0	0	110.4	M258 K266 L289 F342	M258-A344 VanDerWaalsContact O-O 3.12Å; K266-A344 WeakPolarHBondContact CD-O 3.26Å; K266-A344 WeakPolarHBondContact CE-O 3.49Å; L289-A344 HydrophobicContact CB-CB 3.94Å; L289-A344 HydrophobicContact CD2-CB 3.59Å; L289-A344 HydrophobicContact CG-CB 4.43Å; F342-A344 HydrophobicContact CD1-CB 4.37Å; F342-A344 HydrophobicContact CE1-CB 3.92Å; F342-A344 HydrophobicContact CZ-CB 4.29Å; F342-A344 PolarHBondContact O-N 2.96Å
345	T	94.4	Very high	93.9	Very high	26 Å²	26	33.6 Å²	33.6	16%	0.16	19%	0.188	C	C	.	.			trans	-74.8	-34.7	177.5	53.4	0	0	0	0	113.3	V259 G260 S347 Y413	V259-T345 CarbonylContact C-O 3.54Å; V259-T345 WeakPolarHBondContact CA-O 3.49Å; G260-T345 PolarHBondContact N-O 3.26Å; G260-T345 WeakPolarHBondContact O-CA 3.33Å; G260-T345 WeakPolarHBondContact O-CB 3.3Å; T345-S347 PolarHBondContact O-N 3.08Å; T345-Y413 HydrophobicContact CG2-CD1 4.16Å; T345-Y413 HydrophobicContact CG2-CE1 3.87Å; T345-Y413 VanDerWaalsContact OG1-CE1 3.29Å; T345-Y413 WeakPolarHBondContact OG1-CE1 3.14Å
346	N	96.5	Very high	94.6	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	16%	0.16	C	C	.	.			trans	42.5	36.7	177.6	-60.4	-32.9	0	0	0	114.4	M258 V259 F342 T348 R351 R352 I355	M258-N346 WeakPolarHBondContact O-CB 3.5Å; M258-N346 PolarHBondContact O-ND2 2.94Å; V259-N346 HydrophobicContact CG2-CB 4.04Å; F342-N346 WeakPolarHBondContact CD1-ND2 3.13Å; N346-T348 VanDerWaalsContact C-N 3.3Å; N346-T348 PolarHBondContact O-N 3.21Å; N346-R351 HydrophobicContact CB-CG 4.28Å; N346-R351 WeakPolarHBondContact OD1-CG 3.29Å; N346-R352 HydrophobicContact CB-CG 4.49Å; N346-R352 WeakPolarHBondContact O-CG 3.48Å; N346-R352 PolarHBondContact O-NH1 3.43Å; N346-R352 VanDerWaalsContact O-NH1 3.09Å; N346-I355 HydrophobicContact CB-CD1 4.29Å
347	S	94.9	Very high	95.5	Very high	10 Å²	10	27.9 Å²	27.9	7%	0.07	15%	0.145	C	C	.	.			trans	-84	3.5	-162.7	53.6	0	0	0	0	114.6	T345 Q418	T345-S347 PolarHBondContact O-N 3.08Å; S347-Q418 PolarHBondContact O-N 3.44Å
348	T	95.6	Very high	96.1	Very high	37 Å²	37	28.1 Å²	28.1	23%	0.227	14%	0.144	C	C	.	.	S	Bend	trans	-123.7	149.7	175.8	63.9	0	0	0	0	110.7	N346 D350 R351 R352 R416	N346-T348 VanDerWaalsContact C-N 3.3Å; N346-T348 PolarHBondContact O-N 3.21Å; T348-D350 PolarHBondContact O-N 3.13Å; T348-R351 PolarHBondContact O-N 3.28Å; T348-R351 WeakPolarHBondContact OG1-CB 3.29Å; T348-R351 PolarHBondContact OG1-N 3.36Å; T348-R352 PolarHBondContact O-N 2.91Å; T348-R416 HydrophobicContact CG2-CB 4.43Å
349	R	96.8	Very high	96.4	Very high	90 Å²	90	26.9 Å²	26.9	34%	0.34	14%	0.135	S	C	.	.	H	α-helix	trans	-59.8	-44.2	177.7	-70.7	-175.2	172.8	154	4.7	111.9	R351 R352 Q353 Q418 D421 T424 E425	R349-R351 PolarHBondContact O-N 3.44Å; R349-R352 CarbonylContact O-C 3.58Å; R349-R352 WeakPolarHBondContact O-CA 3.47Å; R349-R352 PolarHBondContact O-N 2.77Å; R349-Q353 PolarHBondContact O-N 3.25Å; R349-Q418 HydrophobicContact CG-CB 4.24Å; R349-D421 IonicContact NH2-OD2 2.66Å; R349-T424 PolarHBondContact NH1-OG1 3.18Å; R349-T424 PolarHBondContact NH2-OG1 3.5Å; R349-E425 WeakPolarHBondContact CG-OE2 2.95Å; R349-E425 IonicContact CZ-OE2 3.86Å; R349-E425 IonicContact NE-OE2 3.97Å; R349-E425 PolarHBondContact NE-OE2 3.05Å; R349-E425 IonicContact NH2-OE2 2.91Å
350	D	95.4	Very high	96.6	Very high	128 Å²	128	29.3 Å²	29.3	68%	0.684	15%	0.15	S	C	*	.	H	α-helix	trans	-56.5	-38.1	178.4	-45.5	-29.1	0	0	0	112.3	T348 L354	T348-D350 PolarHBondContact O-N 3.13Å; D350-L354 WeakPolarHBondContact O-CB 3.46Å; D350-L354 PolarHBondContact O-N 2.8Å
351	R	95.4	Very high	96.6	Very high	30 Å²	30	35.6 Å²	35.6	11%	0.113	18%	0.177	C	C	.	.	H	α-helix	trans	-70.1	-38.7	176.5	176.2	55.8	66.9	177.5	-0.9	111.4	N318 N322 N346 T348 R349 I355	N318-R351 PolarHBondContact OD1-NH2 3.16Å; N322-R351 PolarHBondContact OD1-NH1 2.91Å; N346-R351 HydrophobicContact CB-CG 4.28Å; N346-R351 WeakPolarHBondContact OD1-CG 3.29Å; T348-R351 PolarHBondContact O-N 3.28Å; T348-R351 WeakPolarHBondContact OG1-CB 3.29Å; T348-R351 PolarHBondContact OG1-N 3.36Å; R349-R351 PolarHBondContact O-N 3.44Å; R351-I355 HydrophobicContact CG-CD1 4.22Å; R351-I355 WeakPolarHBondContact O-CD1 3.33Å; R351-I355 VanDerWaalsContact O-CG1 3.26Å; R351-I355 WeakPolarHBondContact O-CG1 3.25Å; R351-I355 PolarHBondContact O-N 2.99Å; R351-I355 VanDerWaalsContact O-N 3.12Å
352	R	97.9	Very high	96.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-70.7	-38.5	176.2	-65.2	-169.9	-65.6	-101.1	15.1	112.2	N346 T348 R349 I355 H356 F369 Q418 P419 E425	N346-R352 HydrophobicContact CB-CG 4.49Å; N346-R352 WeakPolarHBondContact O-CG 3.48Å; N346-R352 PolarHBondContact O-NH1 3.43Å; N346-R352 VanDerWaalsContact O-NH1 3.09Å; T348-R352 PolarHBondContact O-N 2.91Å; R349-R352 CarbonylContact O-C 3.58Å; R349-R352 WeakPolarHBondContact O-CA 3.47Å; R349-R352 PolarHBondContact O-N 2.77Å; R352-I355 PolarHBondContact O-N 2.74Å; R352-H356 WeakPolarHBondContact O-CB 3.45Å; R352-H356 PolarHBondContact O-N 2.87Å; R352-F369 HydrophobicContact CB-CE1 4.04Å; R352-F369 HydrophobicContact CB-CZ 3.91Å; R352-F369 HydrophobicContact CG-CD1 4.39Å; R352-F369 HydrophobicContact CG-CE1 3.75Å; R352-F369 HydrophobicContact CG-CZ 4.14Å; R352-Q418 VanDerWaalsContact CZ-O 3.32Å; R352-Q418 PolarHBondContact NH1-O 3.45Å; R352-Q418 PolarHBondContact NH2-O 3.46Å; R352-P419 PolarHBondContact NH2-O 3.29Å; R352-P419 VanDerWaalsContact NH2-O 3.14Å; R352-E425 IonicContact CZ-OE1 2.84Å; R352-E425 VanDerWaalsContact CZ-OE1 3.25Å; R352-E425 IonicContact CZ-OE2 3.82Å; R352-E425 IonicContact NE-OE1 3.39Å; R352-E425 PolarHBondContact NE-OE1 2.94Å; R352-E425 VanDerWaalsContact NH2-CD 3.29Å; R352-E425 IonicContact NH2-OE1 2.65Å; R352-E425 PolarHBondContact NH2-OE1 3.33Å; R352-E425 IonicContact NH2-OE2 2.8Å; R352-E425 PolarHBondContact NH2-OE2 2.98Å
353	Q	97.4	Very high	96.6	Very high	74 Å²	74	43.4 Å²	43.4	35%	0.346	21%	0.214	S	C	.	.	H	α-helix	trans	-63	-42	173.2	-168.3	67.2	73.3	0	0	111.6	R349 I355 H356 D357	R349-Q353 PolarHBondContact O-N 3.25Å; Q353-I355 VanDerWaalsContact C-N 3.35Å; Q353-I355 PolarHBondContact O-N 3.23Å; Q353-H356 PolarHBondContact NE2-ND1 3.08Å; Q353-H356 PolarHBondContact O-N 3.49Å; Q353-D357 PolarHBondContact NE2-OD1 3.02Å; Q353-D357 WeakPolarHBondContact O-CB 3.27Å; Q353-D357 PolarHBondContact O-N 3.02Å
354	L	97.1	Very high	96.5	Very high	62 Å²	62	45.5 Å²	45.5	33%	0.325	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-41.8	174.1	177.9	62.6	0	0	0	112.2	D350 D357 I358	D350-L354 WeakPolarHBondContact O-CB 3.46Å; D350-L354 PolarHBondContact O-N 2.8Å; L354-D357 PolarHBondContact O-N 3.11Å; L354-I358 HydrophobicContact CD1-CD1 3.79Å; L354-I358 HydrophobicContact CD1-CG1 4.39Å; L354-I358 HydrophobicContact CG-CD1 4.13Å; L354-I358 WeakPolarHBondContact O-CG1 3.31Å; L354-I358 PolarHBondContact O-N 2.79Å; L354-I358 VanDerWaalsContact O-N 3.11Å
355	I	98.1	Very high	96.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-46.9	175.4	-66.3	160.5	0	0	0	110.2	A257 L325 F342 N346 R351 R352 Q353 D357 I358 V359 L367 F369	A257-I355 HydrophobicContact CB-CG2 4.28Å; L325-I355 HydrophobicContact CD1-CG2 4.38Å; L325-I355 HydrophobicContact CD2-CG1 4.05Å; F342-I355 HydrophobicContact CD1-CD1 4.16Å; F342-I355 HydrophobicContact CE1-CD1 3.85Å; F342-I355 HydrophobicContact CE1-CG1 4.36Å; N346-I355 HydrophobicContact CB-CD1 4.29Å; R351-I355 HydrophobicContact CG-CD1 4.22Å; R351-I355 WeakPolarHBondContact O-CD1 3.33Å; R351-I355 VanDerWaalsContact O-CG1 3.26Å; R351-I355 WeakPolarHBondContact O-CG1 3.25Å; R351-I355 PolarHBondContact O-N 2.99Å; R351-I355 VanDerWaalsContact O-N 3.12Å; R352-I355 PolarHBondContact O-N 2.74Å; Q353-I355 VanDerWaalsContact C-N 3.35Å; Q353-I355 PolarHBondContact O-N 3.23Å; I355-D357 VanDerWaalsContact C-N 3.31Å; I355-D357 PolarHBondContact O-N 3.41Å; I355-I358 PolarHBondContact O-N 3.12Å; I355-V359 HydrophobicContact CG2-CG2 4.01Å; I355-V359 VanDerWaalsContact O-CB 3.26Å; I355-V359 WeakPolarHBondContact O-CB 3.38Å; I355-V359 VanDerWaalsContact O-CG2 3.24Å; I355-V359 WeakPolarHBondContact O-CG2 3.19Å; I355-V359 PolarHBondContact O-N 3.21Å; I355-L367 HydrophobicContact CG2-CD1 3.83Å; I355-L367 HydrophobicContact CG2-CD2 3.99Å; I355-F369 HydrophobicContact CB-CZ 4.35Å; I355-F369 HydrophobicContact CD1-CE1 4.34Å; I355-F369 HydrophobicContact CG2-CE1 4.41Å; I355-F369 HydrophobicContact CG2-CZ 4.18Å
356	H	98	Very high	96.6	Very high	24 Å²	24	48.5 Å²	48.5	11%	0.111	24%	0.244	C	C	.	.	H	α-helix	trans	-57.5	-42.8	175.7	174.2	-80.6	0	0	0	112.5	R352 Q353 V360 K361 L367 H427 L428	R352-H356 WeakPolarHBondContact O-CB 3.45Å; R352-H356 PolarHBondContact O-N 2.87Å; Q353-H356 PolarHBondContact NE2-ND1 3.08Å; Q353-H356 PolarHBondContact O-N 3.49Å; H356-V360 WeakPolarHBondContact O-CA 3.29Å; H356-V360 VanDerWaalsContact O-CB 3.26Å; H356-V360 WeakPolarHBondContact O-CB 3.49Å; H356-V360 PolarHBondContact O-N 3.11Å; H356-K361 PolarHBondContact O-N 3.3Å; H356-L367 VanDerWaalsContact CA-CD2 3.46Å; H356-L367 HydrophobicContact CB-CD2 3.94Å; H356-H427 AromaticContact CD2-CD2 3.73Å; H356-H427 AromaticContact NE2-CD2 3.62Å; H356-L428 HydrophobicContact CB-CD2 4.29Å
357	D	97.9	Very high	96.6	Very high	52 Å²	52	49 Å²	49	28%	0.278	25%	0.247	S	C	.	.	I	π-helix	trans	-74.4	-32.2	-174.2	-71.7	13.1	0	0	0	112.1	Q353 L354 I355 K361 Q362	Q353-D357 PolarHBondContact NE2-OD1 3.02Å; Q353-D357 WeakPolarHBondContact O-CB 3.27Å; Q353-D357 PolarHBondContact O-N 3.02Å; L354-D357 PolarHBondContact O-N 3.11Å; I355-D357 VanDerWaalsContact C-N 3.31Å; I355-D357 PolarHBondContact O-N 3.41Å; D357-K361 HydrophobicContact CB-CD 4.18Å; D357-K361 WeakPolarHBondContact O-CB 3.37Å; D357-K361 PolarHBondContact O-N 2.89Å; D357-K361 WeakPolarHBondContact OD1-CD 3.38Å; D357-K361 WeakPolarHBondContact OD1-CE 3.27Å; D357-K361 IonicContact OD1-NZ 3.83Å; D357-K361 PolarHBondContact OD1-NZ 2.94Å; D357-K361 IonicContact OD2-NZ 3.91Å; D357-K361 PolarHBondContact OD2-NZ 3.31Å; D357-Q362 PolarHBondContact O-N 3.21Å
358	I	97.8	Very high	96.7	Very high	13 Å²	13	48.7 Å²	48.7	7%	0.067	24%	0.244	C	C	.	.	I	π-helix	trans	-74	-57.3	170.6	-68.3	167.2	0	0	0	110.4	L325 L354 I355 Q362 H363	L325-I358 HydrophobicContact CD2-CB 4.19Å; L325-I358 HydrophobicContact CD2-CD1 3.71Å; L325-I358 HydrophobicContact CD2-CG2 4.18Å; L325-I358 HydrophobicContact CG-CG2 4.37Å; L354-I358 HydrophobicContact CD1-CD1 3.79Å; L354-I358 HydrophobicContact CD1-CG1 4.39Å; L354-I358 HydrophobicContact CG-CD1 4.13Å; L354-I358 WeakPolarHBondContact O-CG1 3.31Å; L354-I358 PolarHBondContact O-N 2.79Å; L354-I358 VanDerWaalsContact O-N 3.11Å; I355-I358 PolarHBondContact O-N 3.12Å; I358-Q362 WeakPolarHBondContact O-CB 3.43Å; I358-Q362 PolarHBondContact O-N 3.46Å; I358-H363 PolarHBondContact O-CD2 3.29Å; I358-H363 PolarHBondContact O-N 3.36Å
359	V	97.5	Very high	96.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	I	π-helix	trans	-66.6	-51.7	-172	176.2	0	0	0	0	111.6	V255 L325 I355 G364 F365 L367	V255-V359 HydrophobicContact CB-CG1 3.86Å; V255-V359 HydrophobicContact CB-CG2 4.12Å; V255-V359 HydrophobicContact CG1-CG2 4.27Å; V255-V359 HydrophobicContact CG2-CG1 3.71Å; V255-V359 HydrophobicContact CG2-CG2 3.9Å; L325-V359 HydrophobicContact CD1-CG2 4.05Å; I355-V359 HydrophobicContact CG2-CG2 4.01Å; I355-V359 VanDerWaalsContact O-CB 3.26Å; I355-V359 WeakPolarHBondContact O-CB 3.38Å; I355-V359 VanDerWaalsContact O-CG2 3.24Å; I355-V359 WeakPolarHBondContact O-CG2 3.19Å; I355-V359 PolarHBondContact O-N 3.21Å; V359-G364 PolarHBondContact O-N 3.23Å; V359-F365 HydrophobicContact CG1-CB 3.65Å; V359-F365 WeakPolarHBondContact O-CB 3.27Å; V359-F365 PolarHBondContact O-N 3.42Å; V359-L367 HydrophobicContact CB-CD2 4.39Å; V359-L367 HydrophobicContact CG1-CB 3.92Å; V359-L367 HydrophobicContact CG1-CD1 4.35Å
360	V	96.4	Very high	96.9	Very high	51 Å²	51	42.7 Å²	42.7	31%	0.309	22%	0.217	S	C	.	.	I	π-helix	trans	-89.4	-54.1	-172.1	-169.5	0	0	0	0	111.3	H356 G364 L367	H356-V360 WeakPolarHBondContact O-CA 3.29Å; H356-V360 VanDerWaalsContact O-CB 3.26Å; H356-V360 WeakPolarHBondContact O-CB 3.49Å; H356-V360 PolarHBondContact O-N 3.11Å; V360-G364 VanDerWaalsContact O-CA 3.29Å; V360-G364 WeakPolarHBondContact O-CA 3.35Å; V360-G364 PolarHBondContact O-N 3.49Å; V360-G364 VanDerWaalsContact O-N 3.11Å; V360-L367 HydrophobicContact CG2-CB 3.61Å; V360-L367 HydrophobicContact CG2-CD2 3.97Å; V360-L367 HydrophobicContact CG2-CG 4.48Å
361	K	97.1	Very high	97	Very high	133 Å²	133	36.6 Å²	36.6	58%	0.578	19%	0.185	S	C	*	.	I	π-helix	trans	-75.6	-37	-173.1	-58.2	179.1	-174.9	158.1	0	113.6	H356 D357	H356-K361 PolarHBondContact O-N 3.3Å; D357-K361 HydrophobicContact CB-CD 4.18Å; D357-K361 WeakPolarHBondContact O-CB 3.37Å; D357-K361 PolarHBondContact O-N 2.89Å; D357-K361 WeakPolarHBondContact OD1-CD 3.38Å; D357-K361 WeakPolarHBondContact OD1-CE 3.27Å; D357-K361 IonicContact OD1-NZ 3.83Å; D357-K361 PolarHBondContact OD1-NZ 2.94Å; D357-K361 IonicContact OD2-NZ 3.91Å; D357-K361 PolarHBondContact OD2-NZ 3.31Å
362	Q	97.3	Very high	97	Very high	122 Å²	122	35.6 Å²	35.6	57%	0.57	18%	0.182	S	C	*	.	I	π-helix	trans	-89.8	-44.8	-178.9	166.4	-177	-17.1	0	0	112.9	D357 I358	D357-Q362 PolarHBondContact O-N 3.21Å; I358-Q362 WeakPolarHBondContact O-CB 3.43Å; I358-Q362 PolarHBondContact O-N 3.46Å
363	H	96.2	Very high	96.8	Very high	41 Å²	41	36.4 Å²	36.4	19%	0.19	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-13	-175.9	-69	-74.6	0	0	0	115	I358 F365	I358-H363 PolarHBondContact O-CD2 3.29Å; I358-H363 PolarHBondContact O-N 3.36Å; H363-F365 HydrophobicContact CB-CD1 4.11Å; H363-F365 HydrophobicContact CB-CD2 3.78Å; H363-F365 HydrophobicContact CB-CE1 4.16Å; H363-F365 HydrophobicContact CB-CE2 3.83Å; H363-F365 HydrophobicContact CB-CG 3.93Å; H363-F365 HydrophobicContact CB-CZ 4.04Å; H363-F365 WeakPolarHBondContact O-CD1 3.47Å; H363-F365 PolarHBondContact O-N 3.11Å
364	G	95.4	Very high	96.5	Very high	51 Å²	51	33 Å²	33	53%	0.526	17%	0.171	S	C	.	.			trans	70.3	16.7	-178.6	0	0	0	0	0	114.3	T252 V359 V360	T252-G364 WeakPolarHBondContact CG2-O 3.48Å; V359-G364 PolarHBondContact O-N 3.23Å; V360-G364 VanDerWaalsContact O-CA 3.29Å; V360-G364 WeakPolarHBondContact O-CA 3.35Å; V360-G364 PolarHBondContact O-N 3.49Å; V360-G364 VanDerWaalsContact O-N 3.11Å
365	F	95.3	Very high	96.2	Very high	11 Å²	11	34.9 Å²	34.9	5%	0.048	18%	0.182	C	C	.	.			trans	-81.8	157.7	-179.4	-63.5	-15.7	0	0	0	111.9	P253 V255 C329 L332 L333 V359 H363	P253-F365 HydrophobicContact CB-CD1 3.81Å; P253-F365 HydrophobicContact CB-CE1 3.87Å; P253-F365 HydrophobicContact CB-CG 4.14Å; P253-F365 HydrophobicContact CB-CZ 4.24Å; P253-F365 HydrophobicContact CG-CD1 3.92Å; P253-F365 HydrophobicContact CG-CE1 3.68Å; P253-F365 HydrophobicContact CG-CZ 4.29Å; P253-F365 WeakPolarHBondContact O-CA 3.47Å; P253-F365 WeakPolarHBondContact O-CB 3.45Å; V255-F365 HydrophobicContact CG2-CD2 4.41Å; C329-F365 HydrophobicContact CB-CE2 4.07Å; L332-F365 HydrophobicContact CB-CE2 3.93Å; L332-F365 HydrophobicContact CB-CZ 3.97Å; L332-F365 HydrophobicContact CD1-CD2 4.04Å; L332-F365 HydrophobicContact CD1-CE2 3.96Å; L333-F365 HydrophobicContact CD2-CE1 4.11Å; L333-F365 HydrophobicContact CD2-CZ 3.67Å; L333-F365 HydrophobicContact CG-CZ 3.9Å; V359-F365 HydrophobicContact CG1-CB 3.65Å; V359-F365 WeakPolarHBondContact O-CB 3.27Å; V359-F365 PolarHBondContact O-N 3.42Å; H363-F365 HydrophobicContact CB-CD1 4.11Å; H363-F365 HydrophobicContact CB-CD2 3.78Å; H363-F365 HydrophobicContact CB-CE1 4.16Å; H363-F365 HydrophobicContact CB-CE2 3.83Å; H363-F365 HydrophobicContact CB-CG 3.93Å; H363-F365 HydrophobicContact CB-CZ 4.04Å; H363-F365 WeakPolarHBondContact O-CD1 3.47Å; H363-F365 PolarHBondContact O-N 3.11Å
366	R	94.8	Very high	95.9	Very high	85 Å²	85	36.7 Å²	36.7	32%	0.321	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	141.6	170.5	-77.4	174.1	159.8	-96.1	-11.5	110.1	T252 P253 H254 V255 E446 E450	T252-R366 HydrophobicContact CG2-CG 4.1Å; P253-R366 PolarHBondContact O-N 3.15Å; H254-R366 CarbonylContact C-O 3.57Å; H254-R366 WeakPolarHBondContact CA-O 3.36Å; H254-R366 HydrophobicContact CB-CB 4.39Å; H254-R366 VanDerWaalsContact CE1-CD 3.47Å; H254-R366 WeakPolarHBondContact CE1-CD 3.45Å; H254-R366 WeakPolarHBondContact NE2-CD 3.42Å; V255-R366 PolarHBondContact N-O 3.25Å; R366-E446 PolarHBondContact NH1-O 2.99Å; R366-E450 IonicContact CZ-OE1 3.74Å; R366-E450 IonicContact NH1-OE1 2.66Å; R366-E450 PolarHBondContact NH1-OE1 2.85Å; R366-E450 IonicContact NH1-OE2 3.69Å
367	L	96.3	Very high	95.4	Very high	16 Å²	16	40 Å²	40	8%	0.084	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	118.4	-177.7	177.3	57.7	0	0	0	110.3	V255 A257 I355 H356 V359 V360 F369	V255-L367 HydrophobicContact CB-CD1 4.26Å; V255-L367 HydrophobicContact CG1-CD1 4.33Å; V255-L367 WeakPolarHBondContact O-CA 3.46Å; A257-L367 HydrophobicContact CB-CD1 3.92Å; I355-L367 HydrophobicContact CG2-CD1 3.83Å; I355-L367 HydrophobicContact CG2-CD2 3.99Å; H356-L367 VanDerWaalsContact CA-CD2 3.46Å; H356-L367 HydrophobicContact CB-CD2 3.94Å; V359-L367 HydrophobicContact CB-CD2 4.39Å; V359-L367 HydrophobicContact CG1-CB 3.92Å; V359-L367 HydrophobicContact CG1-CD1 4.35Å; V360-L367 HydrophobicContact CG2-CB 3.61Å; V360-L367 HydrophobicContact CG2-CD2 3.97Å; V360-L367 HydrophobicContact CG2-CG 4.48Å; L367-F369 HydrophobicContact CD1-CE2 4.11Å; L367-F369 HydrophobicContact CD1-CZ 4.19Å; L367-F369 HydrophobicContact CD2-CE2 3.52Å; L367-F369 HydrophobicContact CD2-CZ 3.77Å; L367-F369 HydrophobicContact CG-CD2 4.19Å; L367-F369 HydrophobicContact CG-CE2 3.65Å; L367-F369 HydrophobicContact CG-CZ 4.14Å
368	F	97.3	Very high	95	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.009	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.2	177.8	-170.4	-109.3	0	0	0	109.9	V255 I256 A257 V370 S429 M431 E450 I453 V454	V255-F368 PolarHBondContact O-N 2.92Å; I256-F368 CarbonylContact C-O 3.54Å; I256-F368 VanDerWaalsContact CA-O 3.29Å; I256-F368 WeakPolarHBondContact CA-O 3.49Å; A257-F368 PolarHBondContact N-O 2.84Å; F368-V370 HydrophobicContact CD1-CG2 3.81Å; F368-V370 HydrophobicContact CE1-CG2 3.78Å; F368-S429 WeakPolarHBondContact CD2-OG 3.38Å; F368-M431 HydrophobicContact CE1-CB 4.01Å; F368-M431 HydrophobicContact CZ-CB 3.78Å; F368-E450 HydrophobicContact CB-CG 4.45Å; F368-E450 HydrophobicContact CD2-CB 4.32Å; F368-E450 HydrophobicContact CD2-CG 4.12Å; F368-E450 HydrophobicContact CE2-CB 4.45Å; F368-E450 HydrophobicContact CG-CG 4.37Å; F368-I453 HydrophobicContact CD1-CG2 4.27Å; F368-I453 HydrophobicContact CE1-CG2 4Å; F368-V454 HydrophobicContact CZ-CG2 3.81Å
369	F	98.1	Very high	94.5	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	138.6	175.9	-68.6	-90.3	0	0	0	111.6	A257 V259 R352 I355 L367 I420 L428 S429 F430 M431	A257-F369 HydrophobicContact CB-CD1 3.42Å; A257-F369 VanDerWaalsContact CB-CD1 3.42Å; A257-F369 HydrophobicContact CB-CE1 3.48Å; A257-F369 VanDerWaalsContact CB-CE1 3.48Å; A257-F369 HydrophobicContact CB-CG 4.23Å; A257-F369 HydrophobicContact CB-CZ 4.3Å; A257-F369 CarbonylContact O-C 3.58Å; A257-F369 VanDerWaalsContact O-CA 3.26Å; A257-F369 WeakPolarHBondContact O-CA 3.29Å; V259-F369 HydrophobicContact CG2-CB 4.2Å; V259-F369 HydrophobicContact CG2-CD1 3.51Å; V259-F369 HydrophobicContact CG2-CE1 4.34Å; V259-F369 HydrophobicContact CG2-CG 4.28Å; R352-F369 HydrophobicContact CB-CE1 4.04Å; R352-F369 HydrophobicContact CB-CZ 3.91Å; R352-F369 HydrophobicContact CG-CD1 4.39Å; R352-F369 HydrophobicContact CG-CE1 3.75Å; R352-F369 HydrophobicContact CG-CZ 4.14Å; I355-F369 HydrophobicContact CB-CZ 4.35Å; I355-F369 HydrophobicContact CD1-CE1 4.34Å; I355-F369 HydrophobicContact CG2-CE1 4.41Å; I355-F369 HydrophobicContact CG2-CZ 4.18Å; L367-F369 HydrophobicContact CD1-CE2 4.11Å; L367-F369 HydrophobicContact CD1-CZ 4.19Å; L367-F369 HydrophobicContact CD2-CE2 3.52Å; L367-F369 HydrophobicContact CD2-CZ 3.77Å; L367-F369 HydrophobicContact CG-CD2 4.19Å; L367-F369 HydrophobicContact CG-CE2 3.65Å; L367-F369 HydrophobicContact CG-CZ 4.14Å; F369-I420 HydrophobicContact CB-CD1 3.69Å; F369-I420 HydrophobicContact CG-CD1 4.3Å; F369-L428 HydrophobicContact CD2-CB 4.4Å; F369-L428 HydrophobicContact CD2-CD1 4.02Å; F369-L428 HydrophobicContact CE2-CD1 3.78Å; F369-L428 HydrophobicContact CE2-CD2 3.95Å; F369-L428 HydrophobicContact CE2-CG 4.32Å; F369-L428 HydrophobicContact CZ-CD1 4.49Å; F369-S429 PolarHBondContact N-O 3.46Å; F369-F430 HydrophobicContact CB-CB 3.85Å; F369-F430 CarbonylContact O-C 3.55Å; F369-F430 WeakPolarHBondContact O-CA 3.49Å; F369-F430 WeakPolarHBondContact O-CB 3.31Å; F369-M431 PolarHBondContact O-N 3.33Å
370	V	97.6	Very high	94	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	97.2	173.3	179.3	0	0	0	0	108.6	I256 A257 M258 V259 I269 F368 L457	I256-V370 HydrophobicContact CG2-CG2 3.73Å; A257-V370 PolarHBondContact O-N 2.65Å; M258-V370 WeakPolarHBondContact CA-O 3.37Å; M258-V370 HydrophobicContact CE-CB 3.89Å; M258-V370 HydrophobicContact CE-CG1 3.71Å; M258-V370 HydrophobicContact SD-CB 3.94Å; M258-V370 HydrophobicContact SD-CG1 4.34Å; V259-V370 PolarHBondContact N-O 3.37Å; I269-V370 HydrophobicContact CG2-CG1 4.41Å; F368-V370 HydrophobicContact CD1-CG2 3.81Å; F368-V370 HydrophobicContact CE1-CG2 3.78Å; V370-L457 HydrophobicContact CG1-CD1 3.75Å; V370-L457 HydrophobicContact CG2-CD1 3.92Å
371	E	97.8	Very high	93.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.5	178.2	-172.2	165.5	-137.7	0	0	111	V259 I373 Y417 P419 I420 M431 K432 V433	V259-E371 HydrophobicContact CB-CB 3.89Å; V259-E371 HydrophobicContact CB-CG 3.97Å; V259-E371 HydrophobicContact CG1-CB 4.33Å; V259-E371 HydrophobicContact CG1-CG 3.93Å; V259-E371 WeakPolarHBondContact CG1-OE1 3.27Å; V259-E371 WeakPolarHBondContact O-CA 3.33Å; E371-I373 HydrophobicContact CG-CD1 4.11Å; E371-I373 HydrophobicContact CG-CG1 3.84Å; E371-Y417 WeakPolarHBondContact OE1-CE2 3.3Å; E371-Y417 PolarHBondContact OE1-OH 3.35Å; E371-P419 WeakPolarHBondContact OE1-CA 3.45Å; E371-I420 HydrophobicContact CB-CD1 3.94Å; E371-I420 HydrophobicContact CB-CG1 4.47Å; E371-I420 PolarHBondContact OE1-N 2.89Å; E371-I420 WeakPolarHBondContact OE2-CB 3.49Å; E371-I420 WeakPolarHBondContact OE2-CG1 3.49Å; E371-I420 PolarHBondContact OE2-N 2.99Å; E371-M431 PolarHBondContact N-O 2.94Å; E371-K432 HydrophobicContact CB-CG 4.2Å; E371-K432 CarbonylContact O-C 3.53Å; E371-K432 WeakPolarHBondContact O-CA 3.43Å; E371-V433 PolarHBondContact O-N 2.93Å
372	S	95.1	Very high	93.1	Very high	9 Å²	9	46.3 Å²	46.3	6%	0.063	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.4	176.5	-174.8	0	0	0	0	110.3	V259 R264	V259-S372 PolarHBondContact O-N 2.9Å; R264-S372 WeakPolarHBondContact CB-O 3.35Å; R264-S372 WeakPolarHBondContact O-CB 3.2Å; R264-S372 PolarHBondContact O-OG 3.2Å
373	I	94.7	Very high	92.5	Very high	17 Å²	17	41.5 Å²	41.5	9%	0.087	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.7	-175.7	-53.5	177.5	0	0	0	107.1	E371 V433 Y434 N435	E371-I373 HydrophobicContact CG-CD1 4.11Å; E371-I373 HydrophobicContact CG-CG1 3.84Å; I373-V433 PolarHBondContact N-O 2.91Å; I373-Y434 HydrophobicContact CB-CD1 3.93Å; I373-Y434 HydrophobicContact CB-CE1 4.2Å; I373-Y434 HydrophobicContact CD1-CD1 4.12Å; I373-Y434 HydrophobicContact CD1-CE1 3.52Å; I373-Y434 HydrophobicContact CD1-CE2 4.43Å; I373-Y434 HydrophobicContact CG1-CE1 4.41Å; I373-Y434 HydrophobicContact CG2-CD1 3.91Å; I373-Y434 HydrophobicContact CG2-CE1 4.08Å; I373-Y434 CarbonylContact O-C 3.28Å; I373-Y434 WeakPolarHBondContact O-CA 3.3Å; I373-N435 PolarHBondContact O-N 2.84Å
374	C	91.3	Very high	92.1	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.027	21%	0.211	C	C	.	.			trans	-151.6	123.9	175.4	-168.6	0	0	0	0	109.6	R264 I379 N435	R264-C374 WeakPolarHBondContact CD-O 3.5Å; R264-C374 PolarHBondContact NE-O 3.45Å; R264-C374 PolarHBondContact NH2-O 2.83Å; C374-I379 VanDerWaalsContact SG-CG2 3.53Å; C374-N435 VanDerWaalsContact CA-OD1 3.3Å; C374-N435 WeakPolarHBondContact CA-OD1 3.4Å; C374-N435 PolarHBondContact SG-OD1 2.95Å
375	D	90.7	Very high	91.6	Very high	101 Å²	101	40.8 Å²	40.8	54%	0.54	21%	0.205	S	C	.	.			trans	-117	-4.9	-173.7	-40.4	-52.6	0	0	0	110.6	P377 N435	D375-P377 VanDerWaalsContact O-CD 3.25Å; D375-P377 WeakPolarHBondContact O-CD 3.26Å; D375-N435 PolarHBondContact N-OD1 3.46Å
376	D	90.3	Very high	90.8	Very high	37 Å²	37	43.9 Å²	43.9	20%	0.198	22%	0.22	C	C	.	.			trans	-70.4	107	173.8	-168.4	-34.8	0	0	0	110.8	Q378 I379 I380 N435 K438	D376-Q378 VanDerWaalsContact C-N 3.3Å; D376-Q378 PolarHBondContact O-N 3.39Å; D376-I379 HydrophobicContact CB-CB 4.34Å; D376-I379 HydrophobicContact CB-CD1 3.99Å; D376-I379 HydrophobicContact CB-CG1 4.26Å; D376-I379 PolarHBondContact O-N 3.04Å; D376-I380 PolarHBondContact O-N 3.15Å; D376-N435 PolarHBondContact N-OD1 3.42Å; D376-K438 IonicContact OD2-NZ 3.82Å; D376-K438 PolarHBondContact OD2-NZ 2.89Å
377	P	89.4	Confident	90	Very high	93 Å²	93	40.5 Å²	40.5	60%	0.604	21%	0.209	S	C	*	.	H	α-helix	trans	-64.6	-31.5	-169	-24.7	36.1	0	0	0	114.1	D375 I379 I380 E381	D375-P377 VanDerWaalsContact O-CD 3.25Å; D375-P377 WeakPolarHBondContact O-CD 3.26Å; P377-I379 VanDerWaalsContact C-N 3.31Å; P377-I379 PolarHBondContact O-N 2.93Å; P377-I380 PolarHBondContact O-N 2.99Å; P377-I380 VanDerWaalsContact O-N 3.16Å; P377-E381 PolarHBondContact O-N 3.24Å
378	Q	88.8	Confident	89.3	Confident	152 Å²	152	41.2 Å²	41.2	71%	0.71	21%	0.211	S	C	*	.	H	α-helix	trans	-64.1	-39.6	179.8	-63	-178.8	-6.5	0	0	110.9	D376 Q382	D376-Q378 VanDerWaalsContact C-N 3.3Å; D376-Q378 PolarHBondContact O-N 3.39Å; Q378-Q382 VanDerWaalsContact O-CB 3.29Å; Q378-Q382 WeakPolarHBondContact O-CB 3.47Å; Q378-Q382 PolarHBondContact O-N 2.92Å
379	I	86.2	Confident	88.3	Confident	24 Å²	24	43.3 Å²	43.3	12%	0.123	22%	0.224	C	C	.	.	H	α-helix	trans	-67.2	-39.2	175	-66.1	177.4	0	0	0	111	C374 D376 P377 N383 A436 I462	C374-I379 VanDerWaalsContact SG-CG2 3.53Å; D376-I379 HydrophobicContact CB-CB 4.34Å; D376-I379 HydrophobicContact CB-CD1 3.99Å; D376-I379 HydrophobicContact CB-CG1 4.26Å; D376-I379 PolarHBondContact O-N 3.04Å; P377-I379 VanDerWaalsContact C-N 3.31Å; P377-I379 PolarHBondContact O-N 2.93Å; I379-N383 VanDerWaalsContact O-CB 3.27Å; I379-N383 WeakPolarHBondContact O-CB 3.21Å; I379-N383 PolarHBondContact O-N 2.75Å; I379-N383 PolarHBondContact O-ND2 3.31Å; I379-N383 VanDerWaalsContact O-ND2 3.11Å; I379-A436 HydrophobicContact CD1-CB 4.04Å; I379-I462 HydrophobicContact CG2-CD1 3.46Å; I379-I462 VanDerWaalsContact CG2-CD1 3.46Å
380	I	88.5	Confident	87.1	Confident	21 Å²	21	47.3 Å²	47.3	11%	0.108	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-50.1	178	-60.1	169.2	0	0	0	110.1	A263 D376 P377 N383 I384 I410	A263-I380 HydrophobicContact CB-CG2 4.27Å; D376-I380 PolarHBondContact O-N 3.15Å; P377-I380 PolarHBondContact O-N 2.99Å; P377-I380 VanDerWaalsContact O-N 3.16Å; I380-N383 PolarHBondContact O-N 3.01Å; I380-I384 HydrophobicContact CG2-CD1 4.06Å; I380-I384 WeakPolarHBondContact O-CG1 3.44Å; I380-I384 PolarHBondContact O-N 2.9Å; I380-I384 VanDerWaalsContact O-N 3.08Å; I380-I410 HydrophobicContact CG2-CD1 4.09Å
381	E	88.1	Confident	86.2	Confident	108 Å²	108	47.6 Å²	47.6	51%	0.505	25%	0.254	S	S	.	.	H	α-helix	trans	-61.1	-47.7	179.7	-175.9	170.7	-152.3	0	0	111.6	P377 N383 I384 L385	P377-E381 PolarHBondContact O-N 3.24Å; E381-N383 VanDerWaalsContact C-N 3.34Å; E381-N383 PolarHBondContact O-N 3.48Å; E381-I384 PolarHBondContact O-N 3.42Å; E381-L385 HydrophobicContact CG-CD1 3.97Å; E381-L385 HydrophobicContact CG-CG 4.42Å; E381-L385 WeakPolarHBondContact O-CG 3.34Å; E381-L385 PolarHBondContact O-N 3.41Å
382	Q	85.3	Confident	85.2	Confident	77 Å²	77	51.4 Å²	51.4	36%	0.36	28%	0.279	S	S	.	.	H	α-helix	trans	-58.3	-43.5	175.9	-175.5	176.5	-5.2	0	0	112.2	Q378 I384 L385 E386 P464	Q378-Q382 VanDerWaalsContact O-CB 3.29Å; Q378-Q382 WeakPolarHBondContact O-CB 3.47Å; Q378-Q382 PolarHBondContact O-N 2.92Å; Q382-I384 PolarHBondContact O-N 3.44Å; Q382-L385 PolarHBondContact O-N 3.09Å; Q382-E386 PolarHBondContact O-N 2.97Å; Q382-P464 VanDerWaalsContact NE2-CG 3.28Å
383	N	86	Confident	84.4	Confident	22 Å²	22	51.7 Å²	51.7	12%	0.118	28%	0.28	C	S	.	.	H	α-helix	trans	-66.3	-23.2	176.9	-75.7	-28.1	0	0	0	113.5	A263 I379 I380 E381 V387	A263-N383 HydrophobicContact CB-CB 4.19Å; A263-N383 VanDerWaalsContact O-CB 3.26Å; A263-N383 WeakPolarHBondContact O-CB 3.36Å; A263-N383 PolarHBondContact O-ND2 3.15Å; I379-N383 VanDerWaalsContact O-CB 3.27Å; I379-N383 WeakPolarHBondContact O-CB 3.21Å; I379-N383 PolarHBondContact O-N 2.75Å; I379-N383 PolarHBondContact O-ND2 3.31Å; I379-N383 VanDerWaalsContact O-ND2 3.11Å; I380-N383 PolarHBondContact O-N 3.01Å; E381-N383 VanDerWaalsContact C-N 3.34Å; E381-N383 PolarHBondContact O-N 3.48Å; N383-V387 VanDerWaalsContact O-CB 3.3Å; N383-V387 WeakPolarHBondContact O-CB 3.4Å; N383-V387 VanDerWaalsContact O-CG2 3.28Å; N383-V387 WeakPolarHBondContact O-CG2 3.37Å
384	I	87.1	Confident	83.9	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-79.2	-48.7	172	-65.3	167.4	0	0	0	109.5	A263 I380 E381 Q382 V387 K388 V389 V403 F406 L407 I410	A263-I384 HydrophobicContact CB-CD1 4.33Å; A263-I384 HydrophobicContact CB-CG1 3.69Å; I380-I384 HydrophobicContact CG2-CD1 4.06Å; I380-I384 WeakPolarHBondContact O-CG1 3.44Å; I380-I384 PolarHBondContact O-N 2.9Å; I380-I384 VanDerWaalsContact O-N 3.08Å; E381-I384 PolarHBondContact O-N 3.42Å; Q382-I384 PolarHBondContact O-N 3.44Å; I384-V387 PolarHBondContact O-N 2.89Å; I384-K388 HydrophobicContact CG2-CB 4.22Å; I384-K388 WeakPolarHBondContact O-CA 3.47Å; I384-K388 VanDerWaalsContact O-CB 3.32Å; I384-K388 WeakPolarHBondContact O-CB 3.34Å; I384-K388 PolarHBondContact O-N 3.06Å; I384-V389 PolarHBondContact O-N 3.17Å; I384-V403 HydrophobicContact CG2-CB 4.41Å; I384-V403 HydrophobicContact CG2-CG2 3.85Å; I384-F406 HydrophobicContact CD1-CB 4.35Å; I384-F406 HydrophobicContact CD1-CD1 3.8Å; I384-F406 HydrophobicContact CD1-CG 4.42Å; I384-F406 HydrophobicContact CG1-CB 4.48Å; I384-F406 HydrophobicContact CG1-CD1 3.64Å; I384-F406 HydrophobicContact CG1-CE1 4.25Å; I384-F406 HydrophobicContact CG1-CG 4.21Å; I384-F406 HydrophobicContact CG2-CB 4.04Å; I384-F406 HydrophobicContact CG2-CG 4.33Å; I384-L407 HydrophobicContact CD1-CD2 4.06Å; I384-L407 HydrophobicContact CD1-CG 4.32Å; I384-I410 HydrophobicContact CD1-CD1 4.23Å
385	L	85.4	Confident	83.2	Confident	76 Å²	76	56.8 Å²	56.8	40%	0.398	31%	0.306	S	S	.	.	H	α-helix	trans	-61.3	-47.4	-177.5	-69.6	173.6	0	0	0	112.8	E381 Q382 V389 T399 V403	E381-L385 HydrophobicContact CG-CD1 3.97Å; E381-L385 HydrophobicContact CG-CG 4.42Å; E381-L385 WeakPolarHBondContact O-CG 3.34Å; E381-L385 PolarHBondContact O-N 3.41Å; Q382-L385 PolarHBondContact O-N 3.09Å; L385-V389 HydrophobicContact CD2-CG2 4.24Å; L385-T399 HydrophobicContact CD2-CG2 3.57Å; L385-V403 HydrophobicContact CD2-CG2 3.76Å; L385-V403 HydrophobicContact CG-CG2 4.47Å
386	E	78.1	Confident	82.6	Confident	75 Å²	75	60.2 Å²	60.2	35%	0.35	32%	0.324	S	S	.	.	H	α-helix	trans	-71.2	-37.6	-179.3	-174.4	-176.2	160.2	0	0	112.5	Q382 S390 V641 A642	Q382-E386 PolarHBondContact O-N 2.97Å; E386-S390 PolarHBondContact O-OG 3.32Å; E386-V641 WeakPolarHBondContact OE1-CA 3.25Å; E386-A642 HydrophobicContact CG-CB 4.35Å; E386-A642 WeakPolarHBondContact OE1-CB 3.49Å; E386-A642 PolarHBondContact OE1-N 3.23Å
387	V	77.1	Confident	82.3	Confident	15 Å²	15	61.9 Å²	61.9	9%	0.091	33%	0.332	C	S	.	.	H	α-helix	trans	-118.8	-10.1	-157.3	-153.3	0	0	0	0	114.2	N383 I384 A642 Y643	N383-V387 VanDerWaalsContact O-CB 3.3Å; N383-V387 WeakPolarHBondContact O-CB 3.4Å; N383-V387 VanDerWaalsContact O-CG2 3.28Å; N383-V387 WeakPolarHBondContact O-CG2 3.37Å; I384-V387 PolarHBondContact O-N 2.89Å; V387-A642 HydrophobicContact CB-CB 4.17Å; V387-A642 HydrophobicContact CG1-CB 3.68Å; V387-A642 HydrophobicContact CG2-CB 3.41Å; V387-A642 VanDerWaalsContact CG2-CB 3.41Å; V387-Y643 HydrophobicContact CG1-CE1 3.97Å; V387-Y643 HydrophobicContact CG1-CE2 3.88Å; V387-Y643 VanDerWaalsContact CG1-CZ 3.48Å; V387-Y643 WeakPolarHBondContact CG1-OH 3.16Å; V387-Y643 PolarHBondContact O-OH 3.17Å
388	K	81.4	Confident	82.1	Confident	30 Å²	30	60.9 Å²	60.9	13%	0.13	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-31.3	-175.7	-51.6	-61.9	151.3	-136.9	0	113.8	I384 S390 S391 Y394 F406 Y643	I384-K388 HydrophobicContact CG2-CB 4.22Å; I384-K388 WeakPolarHBondContact O-CA 3.47Å; I384-K388 VanDerWaalsContact O-CB 3.32Å; I384-K388 WeakPolarHBondContact O-CB 3.34Å; I384-K388 PolarHBondContact O-N 3.06Å; K388-S390 PolarHBondContact O-N 3.35Å; K388-S391 VanDerWaalsContact O-CB 3.23Å; K388-S391 WeakPolarHBondContact O-CB 3.4Å; K388-S391 PolarHBondContact O-N 3.27Å; K388-S391 VanDerWaalsContact O-N 3.08Å; K388-Y394 VanDerWaalsContact O-CD2 3.32Å; K388-Y394 WeakPolarHBondContact O-CD2 3.2Å; K388-F406 HydrophobicContact CB-CD2 4Å; K388-F406 HydrophobicContact CB-CE2 4.21Å; K388-F406 HydrophobicContact CD-CD2 4.23Å; K388-F406 HydrophobicContact CD-CE2 3.55Å; K388-F406 HydrophobicContact CD-CZ 3.87Å; K388-F406 HydrophobicContact CG-CD2 3.88Å; K388-F406 HydrophobicContact CG-CE1 4.41Å; K388-F406 HydrophobicContact CG-CE2 3.64Å; K388-F406 HydrophobicContact CG-CG 4.39Å; K388-F406 HydrophobicContact CG-CZ 3.92Å; K388-Y643 PolarHBondContact NZ-OH 2.88Å
389	V	76.5	Confident	82	Confident	47 Å²	47	57 Å²	57	29%	0.285	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-35.1	169.9	-178	0	0	0	0	111.6	I384 L385 T399 V402	I384-V389 PolarHBondContact O-N 3.17Å; L385-V389 HydrophobicContact CD2-CG2 4.24Å; V389-T399 HydrophobicContact CG1-CG2 4.31Å; V389-T399 HydrophobicContact CG2-CG2 3.89Å; V389-V402 HydrophobicContact CG2-CG1 4.27Å
390	S	72.9	Confident	82.1	Confident	84 Å²	84	62.8 Å²	62.8	59%	0.587	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	6.2	176.8	55.1	0	0	0	0	114.6	E386 K388	E386-S390 PolarHBondContact O-OG 3.32Å; K388-S390 PolarHBondContact O-N 3.35Å
391	S	78.9	Confident	82.1	Confident	6 Å²	6	65.6 Å²	65.6	4%	0.042	35%	0.349	C	S	.	.	S	Bend	trans	-83.2	142.6	-174.1	175.4	0	0	0	0	112	K388 D393 Y394	K388-S391 VanDerWaalsContact O-CB 3.23Å; K388-S391 WeakPolarHBondContact O-CB 3.4Å; K388-S391 PolarHBondContact O-N 3.27Å; K388-S391 VanDerWaalsContact O-N 3.08Å; S391-D393 PolarHBondContact O-N 3.4Å; S391-D393 PolarHBondContact OG-N 3.45Å; S391-Y394 PolarHBondContact O-N 2.85Å
392	P	78	Confident	82.1	Confident	81 Å²	81	60.5 Å²	60.5	53%	0.526	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-55.4	-25.4	174.5	-28	35.8	0	0	0	114.8	Y394	P392-Y394 PolarHBondContact O-N 3.13Å; P392-Y394 VanDerWaalsContact O-N 3.16Å
393	D	78.6	Confident	82.2	Confident	15 Å²	15	57.9 Å²	57.9	8%	0.08	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-54.7	-23	170.1	-71.5	36.3	0	0	0	113.6	R293 R294 Y300 S391 R409	R293-D393 IonicContact CZ-OD1 2.84Å; R293-D393 IonicContact CZ-OD2 2.68Å; R293-D393 IonicContact NH1-OD1 3.48Å; R293-D393 IonicContact NH1-OD2 2.71Å; R293-D393 PolarHBondContact NH1-OD2 3.3Å; R293-D393 VanDerWaalsContact NH2-CG 3.32Å; R293-D393 IonicContact NH2-OD1 3.88Å; R293-D393 PolarHBondContact NH2-OD1 3.04Å; R293-D393 IonicContact NH2-OD2 2.67Å; R293-D393 PolarHBondContact NH2-OD2 2.71Å; R293-D393 VanDerWaalsContact NH2-OD2 3.09Å; R294-D393 IonicContact CZ-OD1 2.74Å; R294-D393 IonicContact NH1-OD1 2.68Å; R294-D393 PolarHBondContact NH1-OD1 3.17Å; Y300-D393 HydrophobicContact CD1-CB 4.43Å; Y300-D393 WeakPolarHBondContact CD1-O 3.47Å; Y300-D393 HydrophobicContact CE1-CB 4.16Å; Y300-D393 WeakPolarHBondContact CE1-O 3.41Å; Y300-D393 HydrophobicContact CE2-CB 4.16Å; Y300-D393 WeakPolarHBondContact CE2-OD2 3.29Å; S391-D393 PolarHBondContact O-N 3.4Å; S391-D393 PolarHBondContact OG-N 3.45Å; D393-R409 IonicContact OD2-CZ 3.72Å; D393-R409 IonicContact OD2-NH1 3.75Å; D393-R409 PolarHBondContact OD2-NH1 3.35Å; D393-R409 IonicContact OD2-NH2 3.12Å
394	Y	82.3	Confident	82.4	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.016	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-128.1	17.1	-164.1	-72.6	-69	0	0	0	114.8	Y300 K388 S391 P392 N396 M397 V402 D405 F406	Y300-Y394 HydrophobicContact CE1-CE1 4.33Å; Y300-Y394 VanDerWaalsContact OH-CZ 3.22Å; Y300-Y394 PolarHBondContact OH-OH 3.44Å; K388-Y394 VanDerWaalsContact O-CD2 3.32Å; K388-Y394 WeakPolarHBondContact O-CD2 3.2Å; S391-Y394 PolarHBondContact O-N 2.85Å; P392-Y394 PolarHBondContact O-N 3.13Å; P392-Y394 VanDerWaalsContact O-N 3.16Å; Y394-N396 PolarHBondContact O-N 2.93Å; Y394-M397 HydrophobicContact CD1-SD 3.76Å; Y394-M397 HydrophobicContact CE1-SD 4.32Å; Y394-M397 PolarHBondContact O-N 2.97Å; Y394-M397 VanDerWaalsContact O-N 3.15Å; Y394-V402 HydrophobicContact CD1-CB 4.13Å; Y394-V402 HydrophobicContact CD1-CG1 3.75Å; Y394-V402 HydrophobicContact CD1-CG2 3.74Å; Y394-V402 HydrophobicContact CD2-CG1 3.84Å; Y394-V402 HydrophobicContact CE1-CG1 4.08Å; Y394-V402 HydrophobicContact CE2-CG1 4.18Å; Y394-V402 HydrophobicContact CG-CB 4.33Å; Y394-V402 HydrophobicContact CG-CG1 3.61Å; Y394-V402 HydrophobicContact CG-CG2 3.9Å; Y394-D405 HydrophobicContact CE1-CB 4.01Å; Y394-D405 WeakPolarHBondContact CE1-OD2 3.28Å; Y394-D405 VanDerWaalsContact CZ-OD2 3.3Å; Y394-D405 PolarHBondContact OH-OD2 2.9Å; Y394-F406 AromaticContact CE2-CD2 3.72Å; Y394-F406 HydrophobicContact CE2-CD2 3.72Å; Y394-F406 HydrophobicContact CE2-CE2 4.33Å; Y394-F406 AromaticContact CZ-CD2 3.9Å; Y394-F406 WeakPolarHBondContact OH-CD2 3.19Å
395	L	78.1	Confident	82.6	Confident	124 Å²	124	64.7 Å²	64.7	65%	0.649	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	131.6	178.7	-65.8	169.7	0	0	0	111.6	M397	L395-M397 VanDerWaalsContact C-N 3.31Å; L395-M397 PolarHBondContact O-N 3.44Å
396	N	78.5	Confident	82.9	Confident	173 Å²	173	61.3 Å²	61.3	93%	0.925	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	10.8	-178.7	-41.2	-71.2	0	0	0	116.5	Y394	Y394-N396 PolarHBondContact O-N 2.93Å
397	M	82.3	Confident	83.6	Confident	72 Å²	72	61.4 Å²	61.4	36%	0.355	32%	0.324	S	S	.	.			trans	-91.5	149.9	167.2	-61	-165.1	-170.9	0	0	111.3	K301 Y394 L395 V402	K301-M397 WeakPolarHBondContact O-CE 3.45Å; Y394-M397 HydrophobicContact CD1-SD 3.76Å; Y394-M397 HydrophobicContact CE1-SD 4.32Å; Y394-M397 PolarHBondContact O-N 2.97Å; Y394-M397 VanDerWaalsContact O-N 3.15Å; L395-M397 VanDerWaalsContact C-N 3.31Å; L395-M397 PolarHBondContact O-N 3.44Å; M397-V402 HydrophobicContact CB-CG2 3.58Å
398	N	86.7	Confident	84.3	Confident	71 Å²	71	63.3 Å²	63.3	38%	0.38	33%	0.332	S	S	.	.			trans	-79.7	155.9	171.7	87.1	-31.6	0	0	0	111	E400 L401 V402	N398-E400 PolarHBondContact ND2-OE2 3.48Å; N398-E400 PolarHBondContact O-N 2.83Å; N398-E400 VanDerWaalsContact O-N 3.12Å; N398-L401 PolarHBondContact O-N 3.44Å; N398-L401 VanDerWaalsContact O-N 3.14Å; N398-L401 VanDerWaalsContact OD1-CB 3.23Å; N398-L401 WeakPolarHBondContact OD1-CB 3.4Å; N398-L401 WeakPolarHBondContact OD1-CD1 3.18Å; N398-L401 WeakPolarHBondContact OD1-CG 3.16Å; N398-L401 PolarHBondContact OD1-N 3.47Å; N398-V402 WeakPolarHBondContact O-CG2 3.41Å; N398-V402 PolarHBondContact O-N 3.03Å
399	T	87	Confident	84.9	Confident	71 Å²	71	63.2 Å²	63.2	44%	0.436	33%	0.331	S	S	.	.	H	α-helix	trans	-48.6	-43.3	-176.8	-48.3	0	0	0	0	113.3	L385 V389 V402 V403	L385-T399 HydrophobicContact CD2-CG2 3.57Å; V389-T399 HydrophobicContact CG1-CG2 4.31Å; V389-T399 HydrophobicContact CG2-CG2 3.89Å; T399-V402 PolarHBondContact O-N 2.83Å; T399-V403 WeakPolarHBondContact O-CG2 3.33Å; T399-V403 PolarHBondContact O-N 2.74Å
400	E	87.9	Confident	85.7	Confident	146 Å²	146	61.3 Å²	61.3	68%	0.682	32%	0.319	S	S	*	.	H	α-helix	trans	-65.8	-45.3	-177.4	-59.7	162.2	165.8	0	0	112.4	N398 V403 R404	N398-E400 PolarHBondContact ND2-OE2 3.48Å; N398-E400 PolarHBondContact O-N 2.83Å; N398-E400 VanDerWaalsContact O-N 3.12Å; E400-V403 PolarHBondContact O-N 2.73Å; E400-R404 WeakPolarHBondContact O-CB 3.42Å; E400-R404 PolarHBondContact O-N 3.2Å
401	L	87.7	Confident	86.7	Confident	80 Å²	80	62 Å²	62	42%	0.419	31%	0.313	S	S	.	.	H	α-helix	trans	-68.8	-35.2	176.2	-70.8	172.6	0	0	0	111.6	N398 R404 D405	N398-L401 PolarHBondContact O-N 3.44Å; N398-L401 VanDerWaalsContact O-N 3.14Å; N398-L401 VanDerWaalsContact OD1-CB 3.23Å; N398-L401 WeakPolarHBondContact OD1-CB 3.4Å; N398-L401 WeakPolarHBondContact OD1-CD1 3.18Å; N398-L401 WeakPolarHBondContact OD1-CG 3.16Å; N398-L401 PolarHBondContact OD1-N 3.47Å; L401-R404 PolarHBondContact O-N 3.31Å; L401-D405 VanDerWaalsContact O-CB 3.29Å; L401-D405 WeakPolarHBondContact O-CB 3.5Å; L401-D405 PolarHBondContact O-N 3.21Å
402	V	87.7	Confident	87.4	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-46.9	173.1	177.8	0	0	0	0	111	V389 Y394 M397 N398 T399 R404 F406	V389-V402 HydrophobicContact CG2-CG1 4.27Å; Y394-V402 HydrophobicContact CD1-CB 4.13Å; Y394-V402 HydrophobicContact CD1-CG1 3.75Å; Y394-V402 HydrophobicContact CD1-CG2 3.74Å; Y394-V402 HydrophobicContact CD2-CG1 3.84Å; Y394-V402 HydrophobicContact CE1-CG1 4.08Å; Y394-V402 HydrophobicContact CE2-CG1 4.18Å; Y394-V402 HydrophobicContact CG-CB 4.33Å; Y394-V402 HydrophobicContact CG-CG1 3.61Å; Y394-V402 HydrophobicContact CG-CG2 3.9Å; M397-V402 HydrophobicContact CB-CG2 3.58Å; N398-V402 WeakPolarHBondContact O-CG2 3.41Å; N398-V402 PolarHBondContact O-N 3.03Å; T399-V402 PolarHBondContact O-N 2.83Å; V402-R404 PolarHBondContact O-N 2.97Å; V402-F406 VanDerWaalsContact O-CB 3.25Å; V402-F406 WeakPolarHBondContact O-CB 3.33Å; V402-F406 PolarHBondContact O-N 3.34Å
403	V	88.7	Confident	88.1	Confident	22 Å²	22	61.2 Å²	61.2	13%	0.133	30%	0.3	C	S	.	.	H	α-helix	trans	-60.7	-46.6	177.4	171.1	0	0	0	0	110.5	I384 L385 T399 E400 F406 L407	I384-V403 HydrophobicContact CG2-CB 4.41Å; I384-V403 HydrophobicContact CG2-CG2 3.85Å; L385-V403 HydrophobicContact CD2-CG2 3.76Å; L385-V403 HydrophobicContact CG-CG2 4.47Å; T399-V403 WeakPolarHBondContact O-CG2 3.33Å; T399-V403 PolarHBondContact O-N 2.74Å; E400-V403 PolarHBondContact O-N 2.73Å; V403-F406 PolarHBondContact O-N 2.62Å; V403-L407 HydrophobicContact CG1-CD1 3.89Å; V403-L407 HydrophobicContact CG1-CG 4.43Å; V403-L407 VanDerWaalsContact O-CG 3.3Å; V403-L407 WeakPolarHBondContact O-CG 3.44Å; V403-L407 PolarHBondContact O-N 3.26Å
404	R	90.1	Very high	88.8	Confident	153 Å²	153	64.7 Å²	64.7	58%	0.577	32%	0.316	S	S	*	.	H	α-helix	trans	-62.9	-48.9	179.3	-163.7	-173.5	72.5	-163.8	-2.2	112.6	E400 L401 V402 F406 L407 Q408	E400-R404 WeakPolarHBondContact O-CB 3.42Å; E400-R404 PolarHBondContact O-N 3.2Å; L401-R404 PolarHBondContact O-N 3.31Å; V402-R404 PolarHBondContact O-N 2.97Å; R404-F406 VanDerWaalsContact C-N 3.3Å; R404-F406 PolarHBondContact O-N 3.5Å; R404-L407 PolarHBondContact O-N 2.84Å; R404-Q408 WeakPolarHBondContact O-CG 3.2Å; R404-Q408 PolarHBondContact O-N 3.2Å
405	D	91.2	Very high	89.3	Confident	14 Å²	14	70.5 Å²	70.5	8%	0.075	34%	0.344	C	S	.	.	H	α-helix	trans	-60.3	-40.7	176.7	-177.8	89.1	0	0	0	111.4	Y300 S302 H303 Y394 L401 Q408 R409	Y300-D405 PolarHBondContact OH-OD2 2.77Å; S302-D405 VanDerWaalsContact CA-OD1 3.27Å; S302-D405 WeakPolarHBondContact CA-OD1 3.14Å; H303-D405 IonicContact CD2-OD1 2.83Å; H303-D405 PolarHBondContact CD2-OD1 2.69Å; H303-D405 IonicContact CG-OD1 3.54Å; H303-D405 PolarHBondContact N-OD1 3.48Å; Y394-D405 HydrophobicContact CE1-CB 4.01Å; Y394-D405 WeakPolarHBondContact CE1-OD2 3.28Å; Y394-D405 VanDerWaalsContact CZ-OD2 3.3Å; Y394-D405 PolarHBondContact OH-OD2 2.9Å; L401-D405 VanDerWaalsContact O-CB 3.29Å; L401-D405 WeakPolarHBondContact O-CB 3.5Å; L401-D405 PolarHBondContact O-N 3.21Å; D405-Q408 PolarHBondContact O-N 3Å; D405-R409 WeakPolarHBondContact O-CB 3.43Å; D405-R409 PolarHBondContact O-N 2.97Å
406	F	91.1	Very high	89.9	Confident	5 Å²	5	70.7 Å²	70.7	2%	0.022	34%	0.335	C	S	.	.	H	α-helix	trans	-70.2	-33.2	179.8	-154	-81.3	0	0	0	112.9	P262 A263 I384 K388 Y394 V402 V403 R404 R409 I410	P262-F406 HydrophobicContact CB-CE1 3.47Å; P262-F406 VanDerWaalsContact CB-CE1 3.47Å; P262-F406 HydrophobicContact CB-CZ 3.56Å; A263-F406 HydrophobicContact CB-CD1 4.26Å; A263-F406 HydrophobicContact CB-CE1 3.66Å; I384-F406 HydrophobicContact CD1-CB 4.35Å; I384-F406 HydrophobicContact CD1-CD1 3.8Å; I384-F406 HydrophobicContact CD1-CG 4.42Å; I384-F406 HydrophobicContact CG1-CB 4.48Å; I384-F406 HydrophobicContact CG1-CD1 3.64Å; I384-F406 HydrophobicContact CG1-CE1 4.25Å; I384-F406 HydrophobicContact CG1-CG 4.21Å; I384-F406 HydrophobicContact CG2-CB 4.04Å; I384-F406 HydrophobicContact CG2-CG 4.33Å; K388-F406 HydrophobicContact CB-CD2 4Å; K388-F406 HydrophobicContact CB-CE2 4.21Å; K388-F406 HydrophobicContact CD-CD2 4.23Å; K388-F406 HydrophobicContact CD-CE2 3.55Å; K388-F406 HydrophobicContact CD-CZ 3.87Å; K388-F406 HydrophobicContact CG-CD2 3.88Å; K388-F406 HydrophobicContact CG-CE1 4.41Å; K388-F406 HydrophobicContact CG-CE2 3.64Å; K388-F406 HydrophobicContact CG-CG 4.39Å; K388-F406 HydrophobicContact CG-CZ 3.92Å; Y394-F406 AromaticContact CE2-CD2 3.72Å; Y394-F406 HydrophobicContact CE2-CD2 3.72Å; Y394-F406 HydrophobicContact CE2-CE2 4.33Å; Y394-F406 AromaticContact CZ-CD2 3.9Å; Y394-F406 WeakPolarHBondContact OH-CD2 3.19Å; V402-F406 VanDerWaalsContact O-CB 3.25Å; V402-F406 WeakPolarHBondContact O-CB 3.33Å; V402-F406 PolarHBondContact O-N 3.34Å; V403-F406 PolarHBondContact O-N 2.62Å; R404-F406 VanDerWaalsContact C-N 3.3Å; R404-F406 PolarHBondContact O-N 3.5Å; F406-R409 WeakPolarHBondContact O-CB 3.44Å; F406-R409 PolarHBondContact O-N 3.08Å; F406-I410 HydrophobicContact CD1-CD1 3.81Å; F406-I410 HydrophobicContact CD1-CG1 4.13Å; F406-I410 HydrophobicContact CE1-CD1 3.98Å; F406-I410 HydrophobicContact CE1-CG1 4.09Å; F406-I410 WeakPolarHBondContact O-CG1 3.49Å; F406-I410 PolarHBondContact O-N 3.46Å
407	L	92.1	Very high	90.7	Very high	76 Å²	76	64.6 Å²	64.6	40%	0.398	30%	0.3	S	S	.	.	H	α-helix	trans	-66.4	-48.3	171.7	-71.4	169.5	0	0	0	111.1	I384 V403 R404 R409 I410 E411	I384-L407 HydrophobicContact CD1-CD2 4.06Å; I384-L407 HydrophobicContact CD1-CG 4.32Å; V403-L407 HydrophobicContact CG1-CD1 3.89Å; V403-L407 HydrophobicContact CG1-CG 4.43Å; V403-L407 VanDerWaalsContact O-CG 3.3Å; V403-L407 WeakPolarHBondContact O-CG 3.44Å; V403-L407 PolarHBondContact O-N 3.26Å; R404-L407 PolarHBondContact O-N 2.84Å; L407-R409 PolarHBondContact O-N 3.45Å; L407-I410 HydrophobicContact CD2-CD1 4.47Å; L407-I410 WeakPolarHBondContact O-CA 3.45Å; L407-I410 WeakPolarHBondContact O-CB 3.33Å; L407-I410 PolarHBondContact O-N 2.66Å; L407-E411 PolarHBondContact O-N 3.03Å; L407-E411 VanDerWaalsContact O-N 3.08Å
408	Q	93.7	Very high	91.4	Very high	56 Å²	56	64.9 Å²	64.9	26%	0.262	30%	0.3	S	S	.	.	H	α-helix	trans	-60.4	-34.5	174.4	-64.5	178.3	-86.9	0	0	112	H303 R404 D405 I410 E411 H412	H303-Q408 HydrophobicContact CB-CB 4.16Å; H303-Q408 PolarHBondContact NE2-NE2 3.42Å; R404-Q408 WeakPolarHBondContact O-CG 3.2Å; R404-Q408 PolarHBondContact O-N 3.2Å; D405-Q408 PolarHBondContact O-N 3Å; Q408-I410 VanDerWaalsContact C-N 3.32Å; Q408-I410 PolarHBondContact O-N 2.78Å; Q408-E411 PolarHBondContact O-N 2.81Å; Q408-H412 PolarHBondContact O-CD2 3.26Å; Q408-H412 PolarHBondContact O-N 3.1Å
409	R	92.9	Very high	91.9	Very high	28 Å²	28	64.4 Å²	64.4	11%	0.106	30%	0.301	C	S	.	.	H	α-helix	trans	-66.1	-29.7	171.4	177.8	176.6	176.9	176.8	-1.4	112.9	Y300 H303 F306 D393 D405 F406 L407 Y413	Y300-R409 PolarHBondContact OH-NH1 3.13Å; H303-R409 HydrophobicContact CB-CB 3.89Å; F306-R409 HydrophobicContact CB-CG 4.4Å; F306-R409 HydrophobicContact CD2-CG 3.7Å; F306-R409 HydrophobicContact CE2-CG 4.21Å; F306-R409 HydrophobicContact CG-CG 3.94Å; F306-R409 VanDerWaalsContact CZ-NH2 3.32Å; D393-R409 IonicContact OD2-CZ 3.72Å; D393-R409 IonicContact OD2-NH1 3.75Å; D393-R409 PolarHBondContact OD2-NH1 3.35Å; D393-R409 IonicContact OD2-NH2 3.12Å; D405-R409 WeakPolarHBondContact O-CB 3.43Å; D405-R409 PolarHBondContact O-N 2.97Å; F406-R409 WeakPolarHBondContact O-CB 3.44Å; F406-R409 PolarHBondContact O-N 3.08Å; L407-R409 PolarHBondContact O-N 3.45Å; R409-Y413 WeakPolarHBondContact O-CD2 3.5Å
410	I	93.6	Very high	92.4	Very high	6 Å²	6	61.2 Å²	61.2	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-71.1	-45.8	173.4	-73.5	162.5	0	0	0	110.1	P262 A263 I380 I384 F406 L407 Q408 H412 Y413 E414	P262-I410 HydrophobicContact CB-CG1 3.75Å; P262-I410 HydrophobicContact CG-CG1 4.09Å; A263-I410 HydrophobicContact CB-CD1 4.17Å; I380-I410 HydrophobicContact CG2-CD1 4.09Å; I384-I410 HydrophobicContact CD1-CD1 4.23Å; F406-I410 HydrophobicContact CD1-CD1 3.81Å; F406-I410 HydrophobicContact CD1-CG1 4.13Å; F406-I410 HydrophobicContact CE1-CD1 3.98Å; F406-I410 HydrophobicContact CE1-CG1 4.09Å; F406-I410 WeakPolarHBondContact O-CG1 3.49Å; F406-I410 PolarHBondContact O-N 3.46Å; L407-I410 HydrophobicContact CD2-CD1 4.47Å; L407-I410 WeakPolarHBondContact O-CA 3.45Å; L407-I410 WeakPolarHBondContact O-CB 3.33Å; L407-I410 PolarHBondContact O-N 2.66Å; Q408-I410 VanDerWaalsContact C-N 3.32Å; Q408-I410 PolarHBondContact O-N 2.78Å; I410-H412 VanDerWaalsContact C-N 3.31Å; I410-H412 PolarHBondContact O-N 3.36Å; I410-Y413 WeakPolarHBondContact O-CA 3.32Å; I410-Y413 PolarHBondContact O-N 2.81Å; I410-E414 VanDerWaalsContact CG2-CD 3.46Å; I410-E414 HydrophobicContact CG2-CG 4Å; I410-E414 WeakPolarHBondContact CG2-OE1 3.41Å; I410-E414 PolarHBondContact O-N 3.15Å
411	E	93.9	Very high	92.8	Very high	100 Å²	100	56.6 Å²	56.6	47%	0.467	26%	0.261	S	S	.	.	H	α-helix	trans	-51.4	-47.2	178.2	-64.6	166.6	175.4	0	0	111.6	L407 Q408 Y413 E414 E415	L407-E411 PolarHBondContact O-N 3.03Å; L407-E411 VanDerWaalsContact O-N 3.08Å; Q408-E411 PolarHBondContact O-N 2.81Å; E411-Y413 PolarHBondContact O-N 2.88Å; E411-Y413 VanDerWaalsContact O-N 3.14Å; E411-E414 PolarHBondContact O-N 2.82Å; E411-E415 PolarHBondContact O-N 3.27Å; E411-E415 VanDerWaalsContact O-N 3.08Å
412	H	92.8	Very high	93.1	Very high	33 Å²	33	56.5 Å²	56.5	15%	0.153	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-16.4	177	-64	-41.4	0	0	0	115.5	H303 F306 Q408 I410 E415	H303-H412 AromaticContact ND1-CD2 3.54Å; F306-H412 HydrophobicContact CB-CB 4.46Å; Q408-H412 PolarHBondContact O-CD2 3.26Å; Q408-H412 PolarHBondContact O-N 3.1Å; I410-H412 VanDerWaalsContact C-N 3.31Å; I410-H412 PolarHBondContact O-N 3.36Å; H412-E415 IonicContact CE1-OE1 3.56Å; H412-E415 PolarHBondContact CE1-OE1 3.26Å; H412-E415 IonicContact CE1-OE2 2.78Å
413	Y	92.7	Very high	93.5	Very high	36 Å²	36	62 Å²	62	14%	0.141	29%	0.292	C	S	.	.	H	α-helix	trans	-93.8	-31.9	169.3	-82.4	-81.8	0	0	0	112.2	P262 F306 T345 R409 I410 E411 R416 Y417	P262-Y413 HydrophobicContact CG-CD2 3.58Å; P262-Y413 HydrophobicContact CG-CE2 4.08Å; P262-Y413 HydrophobicContact CG-CG 4.13Å; F306-Y413 HydrophobicContact CB-CE2 4.08Å; F306-Y413 AromaticContact CD1-CE2 3.68Å; F306-Y413 HydrophobicContact CD1-CE2 3.68Å; F306-Y413 AromaticContact CD1-CZ 3.99Å; F306-Y413 WeakPolarHBondContact CD1-OH 3.22Å; F306-Y413 HydrophobicContact CG-CE2 4.11Å; T345-Y413 HydrophobicContact CG2-CD1 4.16Å; T345-Y413 HydrophobicContact CG2-CE1 3.87Å; T345-Y413 VanDerWaalsContact OG1-CE1 3.29Å; T345-Y413 WeakPolarHBondContact OG1-CE1 3.14Å; R409-Y413 WeakPolarHBondContact O-CD2 3.5Å; I410-Y413 WeakPolarHBondContact O-CA 3.32Å; I410-Y413 PolarHBondContact O-N 2.81Å; E411-Y413 PolarHBondContact O-N 2.88Å; E411-Y413 VanDerWaalsContact O-N 3.14Å; Y413-R416 CarbonylContact O-C 3.55Å; Y413-R416 PolarHBondContact O-N 3.09Å; Y413-Y417 WeakPolarHBondContact O-CB 3.22Å; Y413-Y417 PolarHBondContact O-N 3.3Å
414	E	93.8	Very high	93.8	Very high	88 Å²	88	64.7 Å²	64.7	41%	0.411	31%	0.308	S	S	.	.	H	α-helix	trans	-65.1	-38.6	177.9	-72.7	176.7	173.6	0	0	111.7	L261 R264 I410 E411 R416 Y417	L261-E414 HydrophobicContact CD1-CG 3.55Å; L261-E414 WeakPolarHBondContact CD1-OE1 3.3Å; L261-E414 HydrophobicContact CD2-CB 4.49Å; L261-E414 HydrophobicContact CD2-CG 3.61Å; L261-E414 HydrophobicContact CG-CG 4.21Å; R264-E414 IonicContact NH2-OE1 3.59Å; R264-E414 PolarHBondContact NH2-OE1 3.45Å; R264-E414 VanDerWaalsContact NH2-OE1 3.15Å; I410-E414 VanDerWaalsContact CG2-CD 3.46Å; I410-E414 HydrophobicContact CG2-CG 4Å; I410-E414 WeakPolarHBondContact CG2-OE1 3.41Å; I410-E414 PolarHBondContact O-N 3.15Å; E411-E414 PolarHBondContact O-N 2.82Å; E414-R416 PolarHBondContact O-N 2.68Å; E414-Y417 PolarHBondContact O-N 3.35Å; E414-Y417 VanDerWaalsContact O-N 3.11Å
415	E	92.4	Very high	94	Very high	127 Å²	127	57.9 Å²	57.9	59%	0.593	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-26.9	172.4	-75.3	-179.7	-176.7	0	0	114.8	E411 H412	E411-E415 PolarHBondContact O-N 3.27Å; E411-E415 VanDerWaalsContact O-N 3.08Å; H412-E415 IonicContact CE1-OE1 3.56Å; H412-E415 PolarHBondContact CE1-OE1 3.26Å; H412-E415 IonicContact CE1-OE2 2.78Å
416	R	91.2	Very high	94.2	Very high	127 Å²	127	60.1 Å²	60.1	48%	0.479	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	11.2	-177.6	-66.3	-170.1	174.5	-174.4	4.4	113.2	A308 T348 Y413 E414 Q418	A308-R416 PolarHBondContact O-NH2 2.93Å; T348-R416 HydrophobicContact CG2-CB 4.43Å; Y413-R416 CarbonylContact O-C 3.55Å; Y413-R416 PolarHBondContact O-N 3.09Å; E414-R416 PolarHBondContact O-N 2.68Å; R416-Q418 PolarHBondContact O-N 2.98Å
417	Y	96.4	Very high	94.4	Very high	46 Å²	46	64 Å²	64	18%	0.18	32%	0.318	C	S	.	.			trans	-75.1	117.7	-176.9	179.8	-147.6	0	0	0	111	L261 E371 Y413 E414 P419	L261-Y417 HydrophobicContact CD1-CD1 3.81Å; L261-Y417 HydrophobicContact CD1-CE1 4.08Å; L261-Y417 HydrophobicContact CD2-CD1 3.91Å; L261-Y417 HydrophobicContact CD2-CG 3.93Å; L261-Y417 HydrophobicContact CG-CD1 3.75Å; L261-Y417 HydrophobicContact CG-CE1 4.05Å; L261-Y417 HydrophobicContact CG-CG 4.21Å; E371-Y417 WeakPolarHBondContact OE1-CE2 3.3Å; E371-Y417 PolarHBondContact OE1-OH 3.35Å; Y413-Y417 WeakPolarHBondContact O-CB 3.22Å; Y413-Y417 PolarHBondContact O-N 3.3Å; E414-Y417 PolarHBondContact O-N 3.35Å; E414-Y417 VanDerWaalsContact O-N 3.11Å; Y417-P419 HydrophobicContact CD1-CG 4.37Å; Y417-P419 HydrophobicContact CE1-CG 3.91Å; Y417-P419 HydrophobicContact CE2-CB 4.34Å; Y417-P419 HydrophobicContact CE2-CG 4.13Å
418	Q	96.9	Very high	94.6	Very high	78 Å²	78	60.7 Å²	60.7	36%	0.364	30%	0.301	S	S	.	.			trans	-111	101.9	170.1	-64.9	167.4	-23.3	0	0	107.2	S347 R349 R352 R416	S347-Q418 PolarHBondContact O-N 3.44Å; R349-Q418 HydrophobicContact CG-CB 4.24Å; R352-Q418 VanDerWaalsContact CZ-O 3.32Å; R352-Q418 PolarHBondContact NH1-O 3.45Å; R352-Q418 PolarHBondContact NH2-O 3.46Å; R416-Q418 PolarHBondContact O-N 2.98Å
419	P	97	Very high	94.7	Very high	60 Å²	60	58.8 Å²	58.8	39%	0.39	29%	0.294	S	S	.	.			trans	-54.2	158.4	171.1	-24	32.9	0	0	0	111.9	R352 E371 Y417 D421	R352-P419 PolarHBondContact NH2-O 3.29Å; R352-P419 VanDerWaalsContact NH2-O 3.14Å; E371-P419 WeakPolarHBondContact OE1-CA 3.45Å; Y417-P419 HydrophobicContact CD1-CG 4.37Å; Y417-P419 HydrophobicContact CE1-CG 3.91Å; Y417-P419 HydrophobicContact CE2-CB 4.34Å; Y417-P419 HydrophobicContact CE2-CG 4.13Å; P419-D421 PolarHBondContact O-N 3.37Å
420	I	97.8	Very high	94.9	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	29%	0.289	C	S	.	.			trans	-67	133	173.5	-53.9	174.9	0	0	0	108.8	V259 F369 E371 E425 F430 K432	V259-I420 HydrophobicContact CB-CD1 4.43Å; V259-I420 HydrophobicContact CG1-CG1 4.36Å; V259-I420 HydrophobicContact CG2-CD1 4.09Å; F369-I420 HydrophobicContact CB-CD1 3.69Å; F369-I420 HydrophobicContact CG-CD1 4.3Å; E371-I420 HydrophobicContact CB-CD1 3.94Å; E371-I420 HydrophobicContact CB-CG1 4.47Å; E371-I420 PolarHBondContact OE1-N 2.89Å; E371-I420 WeakPolarHBondContact OE2-CB 3.49Å; E371-I420 WeakPolarHBondContact OE2-CG1 3.49Å; E371-I420 PolarHBondContact OE2-N 2.99Å; I420-E425 HydrophobicContact CG2-CB 4.38Å; I420-F430 HydrophobicContact CD1-CB 4.1Å; I420-F430 HydrophobicContact CD1-CG 4.26Å; I420-F430 HydrophobicContact CG2-CD1 3.67Å; I420-F430 HydrophobicContact CG2-CD2 4.24Å; I420-F430 HydrophobicContact CG2-CE1 3.52Å; I420-F430 HydrophobicContact CG2-CE2 4.14Å; I420-F430 HydrophobicContact CG2-CG 4.01Å; I420-F430 HydrophobicContact CG2-CZ 3.76Å; I420-K432 WeakPolarHBondContact O-CE 3.38Å; I420-K432 PolarHBondContact O-NZ 3.42Å
421	D	95.4	Very high	95.1	Very high	50 Å²	50	57.2 Å²	57.2	27%	0.267	29%	0.287	S	S	.	.			trans	-117.2	132.9	-178.8	171.2	50.6	0	0	0	112.9	R349 P419 V423 T424 E425	R349-D421 IonicContact NH2-OD2 2.66Å; P419-D421 PolarHBondContact O-N 3.37Å; D421-V423 VanDerWaalsContact C-N 3.26Å; D421-V423 PolarHBondContact O-N 3.49Å; D421-T424 WeakPolarHBondContact CB-OG1 3.39Å; D421-T424 WeakPolarHBondContact OD2-CB 3.44Å; D421-T424 WeakPolarHBondContact OD2-CG2 3.4Å; D421-T424 PolarHBondContact OD2-N 3.29Å; D421-T424 PolarHBondContact OD2-OG1 3.29Å; D421-E425 PolarHBondContact N-OE2 3.17Å; D421-E425 WeakPolarHBondContact O-CA 3.48Å; D421-E425 WeakPolarHBondContact O-CB 3.29Å; D421-E425 PolarHBondContact O-N 2.86Å
422	E	94.5	Very high	95.2	Very high	78 Å²	78	52.9 Å²	52.9	36%	0.364	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-17.7	-172.6	-71.3	155.7	-132.5	0	0	113.2	S426 F430 K432 Y443	E422-S426 WeakPolarHBondContact O-CB 3.49Å; E422-F430 HydrophobicContact CG-CE2 4.18Å; E422-F430 HydrophobicContact CG-CZ 3.59Å; E422-K432 IonicContact OE1-NZ 3.83Å; E422-K432 PolarHBondContact OE1-NZ 2.86Å; E422-Y443 HydrophobicContact CB-CD2 4.21Å; E422-Y443 HydrophobicContact CB-CE2 3.99Å; E422-Y443 HydrophobicContact CG-CD2 3.76Å; E422-Y443 HydrophobicContact CG-CE2 4.07Å; E422-Y443 HydrophobicContact CG-CG 4.29Å; E422-Y443 PolarHBondContact O-OH 2.96Å
423	V	94.5	Very high	95.3	Very high	115 Å²	115	51.9 Å²	51.9	70%	0.697	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-57.1	177.6	-177.7	0	0	0	0	110.6	D421 S426	D421-V423 VanDerWaalsContact C-N 3.26Å; D421-V423 PolarHBondContact O-N 3.49Å; V423-S426 WeakPolarHBondContact O-CB 3.39Å; V423-S426 PolarHBondContact O-OG 3.49Å
424	T	95.3	Very high	95.3	Very high	78 Å²	78	52.5 Å²	52.5	48%	0.479	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-21.6	-174.7	57.1	0	0	0	0	114.3	R349 D421	R349-T424 PolarHBondContact NH1-OG1 3.18Å; R349-T424 PolarHBondContact NH2-OG1 3.5Å; D421-T424 WeakPolarHBondContact CB-OG1 3.39Å; D421-T424 WeakPolarHBondContact OD2-CB 3.44Å; D421-T424 WeakPolarHBondContact OD2-CG2 3.4Å; D421-T424 PolarHBondContact OD2-N 3.29Å; D421-T424 PolarHBondContact OD2-OG1 3.29Å
425	E	95.9	Very high	95.1	Very high	11 Å²	11	50.1 Å²	50.1	5%	0.051	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	28.4	176.8	-60.7	169.6	84.4	0	0	111.4	R349 R352 I420 D421 H427 L428	R349-E425 WeakPolarHBondContact CG-OE2 2.95Å; R349-E425 IonicContact CZ-OE2 3.86Å; R349-E425 IonicContact NE-OE2 3.97Å; R349-E425 PolarHBondContact NE-OE2 3.05Å; R349-E425 IonicContact NH2-OE2 2.91Å; R352-E425 IonicContact CZ-OE1 2.84Å; R352-E425 VanDerWaalsContact CZ-OE1 3.25Å; R352-E425 IonicContact CZ-OE2 3.82Å; R352-E425 IonicContact NE-OE1 3.39Å; R352-E425 PolarHBondContact NE-OE1 2.94Å; R352-E425 VanDerWaalsContact NH2-CD 3.29Å; R352-E425 IonicContact NH2-OE1 2.65Å; R352-E425 PolarHBondContact NH2-OE1 3.33Å; R352-E425 IonicContact NH2-OE2 2.8Å; R352-E425 PolarHBondContact NH2-OE2 2.98Å; I420-E425 HydrophobicContact CG2-CB 4.38Å; D421-E425 PolarHBondContact N-OE2 3.17Å; D421-E425 WeakPolarHBondContact O-CA 3.48Å; D421-E425 WeakPolarHBondContact O-CB 3.29Å; D421-E425 PolarHBondContact O-N 2.86Å; E425-H427 PolarHBondContact O-N 2.91Å; E425-L428 HydrophobicContact CB-CD1 3.9Å; E425-L428 HydrophobicContact CB-CG 4.2Å; E425-L428 HydrophobicContact CG-CD1 4.48Å; E425-L428 WeakPolarHBondContact O-CB 3.34Å; E425-L428 WeakPolarHBondContact O-CG 3.41Å; E425-L428 PolarHBondContact O-N 3.37Å
426	S	95.4	Very high	94.6	Very high	61 Å²	61	45.6 Å²	45.6	43%	0.427	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-10.8	179.9	41.9	0	0	0	0	116.4	E422 V423 Y443	E422-S426 WeakPolarHBondContact O-CB 3.49Å; V423-S426 WeakPolarHBondContact O-CB 3.39Å; V423-S426 PolarHBondContact O-OG 3.49Å; S426-Y443 WeakPolarHBondContact CA-OH 3.42Å; S426-Y443 WeakPolarHBondContact CB-OH 3.22Å
427	H	93.9	Very high	94.4	Very high	86 Å²	86	41.2 Å²	41.2	40%	0.398	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-7.2	175.2	66.2	-84.4	0	0	0	113.6	H356 E425	H356-H427 AromaticContact CD2-CD2 3.73Å; H356-H427 AromaticContact NE2-CD2 3.62Å; E425-H427 PolarHBondContact O-N 2.91Å
428	L	96	Very high	94	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.031	26%	0.257	C	S	.	.			trans	-90.3	150.6	-178.7	-57.1	-173.2	0	0	0	112.1	H356 F369 E425 F430 Y443	H356-L428 HydrophobicContact CB-CD2 4.29Å; F369-L428 HydrophobicContact CD2-CB 4.4Å; F369-L428 HydrophobicContact CD2-CD1 4.02Å; F369-L428 HydrophobicContact CE2-CD1 3.78Å; F369-L428 HydrophobicContact CE2-CD2 3.95Å; F369-L428 HydrophobicContact CE2-CG 4.32Å; F369-L428 HydrophobicContact CZ-CD1 4.49Å; E425-L428 HydrophobicContact CB-CD1 3.9Å; E425-L428 HydrophobicContact CB-CG 4.2Å; E425-L428 HydrophobicContact CG-CD1 4.48Å; E425-L428 WeakPolarHBondContact O-CB 3.34Å; E425-L428 WeakPolarHBondContact O-CG 3.41Å; E425-L428 PolarHBondContact O-N 3.37Å; L428-F430 HydrophobicContact CB-CD1 4.04Å; L428-Y443 WeakPolarHBondContact O-CD1 3.27Å
429	S	96.9	Very high	93.8	Very high	17 Å²	17	47.8 Å²	47.8	12%	0.119	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130	164.5	-168.4	0	0	0	0	109.6	F368 F369 N444	F368-S429 WeakPolarHBondContact CD2-OG 3.38Å; F369-S429 PolarHBondContact N-O 3.46Å; S429-N444 VanDerWaalsContact CB-O 3.3Å; S429-N444 WeakPolarHBondContact CB-O 3.37Å; S429-N444 PolarHBondContact OG-O 2.79Å
430	F	97.1	Very high	93.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	158.9	-175.8	61.8	-96.6	0	0	0	116.4	F369 I420 E422 L428 K432 Y443	F369-F430 HydrophobicContact CB-CB 3.85Å; F369-F430 CarbonylContact O-C 3.55Å; F369-F430 WeakPolarHBondContact O-CA 3.49Å; F369-F430 WeakPolarHBondContact O-CB 3.31Å; I420-F430 HydrophobicContact CD1-CB 4.1Å; I420-F430 HydrophobicContact CD1-CG 4.26Å; I420-F430 HydrophobicContact CG2-CD1 3.67Å; I420-F430 HydrophobicContact CG2-CD2 4.24Å; I420-F430 HydrophobicContact CG2-CE1 3.52Å; I420-F430 HydrophobicContact CG2-CE2 4.14Å; I420-F430 HydrophobicContact CG2-CG 4.01Å; I420-F430 HydrophobicContact CG2-CZ 3.76Å; E422-F430 HydrophobicContact CG-CE2 4.18Å; E422-F430 HydrophobicContact CG-CZ 3.59Å; L428-F430 HydrophobicContact CB-CD1 4.04Å; F430-K432 HydrophobicContact CD2-CG 4.07Å; F430-K432 HydrophobicContact CE2-CD 4.13Å; F430-K432 VanDerWaalsContact CE2-CE 3.45Å; F430-K432 HydrophobicContact CE2-CG 4.17Å; F430-Y443 HydrophobicContact CD1-CD1 4.06Å; F430-Y443 HydrophobicContact CD1-CG 4.46Å; F430-Y443 AromaticContact CE1-CD1 3.44Å; F430-Y443 HydrophobicContact CE1-CD1 3.44Å; F430-Y443 VanDerWaalsContact CE1-CD1 3.44Å; F430-Y443 HydrophobicContact CE1-CE1 4.22Å; F430-Y443 AromaticContact CE1-CG 3.77Å; F430-Y443 HydrophobicContact CE1-CG 3.77Å; F430-Y443 HydrophobicContact CE2-CG 4.21Å; F430-Y443 VanDerWaalsContact CZ-CB 3.46Å; F430-Y443 AromaticContact CZ-CD1 3.82Å; F430-Y443 HydrophobicContact CZ-CD1 3.82Å; F430-Y443 HydrophobicContact CZ-CD2 4.35Å; F430-Y443 AromaticContact CZ-CG 3.63Å; F430-Y443 HydrophobicContact CZ-CG 3.63Å; F430-Y443 PolarHBondContact N-O 3.26Å; F430-Y443 PolarHBondContact O-N 3.18Å
431	M	97	Very high	93.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.9	161.6	168	177.1	-74.7	0	0	110.4	F368 F369 E371 V433 V440 V441 V442 V454 L457 M458	F368-M431 HydrophobicContact CE1-CB 4.01Å; F368-M431 HydrophobicContact CZ-CB 3.78Å; F369-M431 PolarHBondContact O-N 3.33Å; E371-M431 PolarHBondContact N-O 2.94Å; M431-V433 HydrophobicContact CG-CG2 3.78Å; M431-V433 HydrophobicContact SD-CG2 3.4Å; M431-V433 WeakPolarHBondContact SD-CG2 3.28Å; M431-V440 HydrophobicContact CE-CG1 3.59Å; M431-V440 HydrophobicContact CG-CG1 3.99Å; M431-V440 HydrophobicContact SD-CG1 4.02Å; M431-V441 CarbonylContact C-O 3.55Å; M431-V441 WeakPolarHBondContact CA-O 3.29Å; M431-V442 HydrophobicContact CE-CG2 3.92Å; M431-V454 HydrophobicContact CE-CB 3.93Å; M431-V454 HydrophobicContact CE-CG1 3.84Å; M431-V454 HydrophobicContact CE-CG2 3.87Å; M431-L457 HydrophobicContact CE-CB 4.04Å; M431-L457 HydrophobicContact SD-CB 3.58Å; M431-L457 VanDerWaalsContact SD-CB 3.58Å; M431-L457 HydrophobicContact SD-CD1 3.74Å; M431-L457 HydrophobicContact SD-CG 4.33Å; M431-M458 HydrophobicContact CE-CG 4.27Å
432	K	96.7	Very high	93.6	Very high	10 Å²	10	48.5 Å²	48.5	4%	0.043	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.9	162.3	-58.6	169.8	-179.9	162	0	109.7	E371 I420 E422 F430 Y434 V440 V441	E371-K432 HydrophobicContact CB-CG 4.2Å; E371-K432 CarbonylContact O-C 3.53Å; E371-K432 WeakPolarHBondContact O-CA 3.43Å; I420-K432 WeakPolarHBondContact O-CE 3.38Å; I420-K432 PolarHBondContact O-NZ 3.42Å; E422-K432 IonicContact OE1-NZ 3.83Å; E422-K432 PolarHBondContact OE1-NZ 2.86Å; F430-K432 HydrophobicContact CD2-CG 4.07Å; F430-K432 HydrophobicContact CE2-CD 4.13Å; F430-K432 VanDerWaalsContact CE2-CE 3.45Å; F430-K432 HydrophobicContact CE2-CG 4.17Å; K432-Y434 HydrophobicContact CB-CD2 4.26Å; K432-Y434 HydrophobicContact CB-CE2 3.62Å; K432-Y434 HydrophobicContact CD-CE2 4.26Å; K432-V440 WeakPolarHBondContact O-CA 3.17Å; K432-V441 HydrophobicContact CB-CB 4.28Å; K432-V441 PolarHBondContact N-O 2.74Å; K432-V441 PolarHBondContact O-N 2.88Å
433	V	94.3	Very high	93.7	Very high	12 Å²	12	47.9 Å²	47.9	7%	0.073	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.5	174.3	-175.6	0	0	0	0	108.7	E371 I373 M431	E371-V433 PolarHBondContact O-N 2.93Å; I373-V433 PolarHBondContact N-O 2.91Å; M431-V433 HydrophobicContact CG-CG2 3.78Å; M431-V433 HydrophobicContact SD-CG2 3.4Å; M431-V433 WeakPolarHBondContact SD-CG2 3.28Å
434	Y	92.9	Very high	93.6	Very high	49 Å²	49	46.1 Å²	46.1	19%	0.192	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.3	-179.4	-68.2	-95.5	0	0	0	111.4	I373 K432 A436 G437 K438 K439 V441	I373-Y434 HydrophobicContact CB-CD1 3.93Å; I373-Y434 HydrophobicContact CB-CE1 4.2Å; I373-Y434 HydrophobicContact CD1-CD1 4.12Å; I373-Y434 HydrophobicContact CD1-CE1 3.52Å; I373-Y434 HydrophobicContact CD1-CE2 4.43Å; I373-Y434 HydrophobicContact CG1-CE1 4.41Å; I373-Y434 HydrophobicContact CG2-CD1 3.91Å; I373-Y434 HydrophobicContact CG2-CE1 4.08Å; I373-Y434 CarbonylContact O-C 3.28Å; I373-Y434 WeakPolarHBondContact O-CA 3.3Å; K432-Y434 HydrophobicContact CB-CD2 4.26Å; K432-Y434 HydrophobicContact CB-CE2 3.62Å; K432-Y434 HydrophobicContact CD-CE2 4.26Å; Y434-A436 PolarHBondContact O-N 2.93Å; Y434-G437 PolarHBondContact O-N 3.23Å; Y434-K438 PolarHBondContact O-N 3.47Å; Y434-K438 VanDerWaalsContact O-N 3.13Å; Y434-K439 WeakPolarHBondContact CB-O 3.32Å; Y434-K439 HydrophobicContact CD2-CB 4.41Å; Y434-K439 HydrophobicContact CD2-CD 3.89Å; Y434-K439 HydrophobicContact CD2-CG 3.84Å; Y434-K439 HydrophobicContact CE2-CD 4.25Å; Y434-K439 HydrophobicContact CG-CD 4.19Å; Y434-K439 HydrophobicContact CG-CG 4.32Å; Y434-K439 PolarHBondContact N-O 3.28Å; Y434-K439 PolarHBondContact O-N 2.61Å; Y434-V441 HydrophobicContact CE2-CG2 3.89Å
435	N	88.9	Confident	93.2	Very high	38 Å²	38	44.8 Å²	44.8	20%	0.203	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	44.1	56.6	171.9	-66.4	-49.5	0	0	0	112.8	I373 C374 D375 D376 G437 K438	I373-N435 PolarHBondContact O-N 2.84Å; C374-N435 VanDerWaalsContact CA-OD1 3.3Å; C374-N435 WeakPolarHBondContact CA-OD1 3.4Å; C374-N435 PolarHBondContact SG-OD1 2.95Å; D375-N435 PolarHBondContact N-OD1 3.46Å; D376-N435 PolarHBondContact N-OD1 3.42Å; N435-G437 VanDerWaalsContact C-N 3.33Å; N435-G437 PolarHBondContact O-N 3.42Å; N435-K438 HydrophobicContact CB-CB 4.26Å; N435-K438 HydrophobicContact CB-CD 3.83Å; N435-K438 HydrophobicContact CB-CG 4.37Å; N435-K438 WeakPolarHBondContact O-CD 3.25Å; N435-K438 VanDerWaalsContact O-CG 3.23Å; N435-K438 WeakPolarHBondContact O-CG 3.36Å; N435-K438 PolarHBondContact O-N 3.28Å
436	A	83.1	Confident	92.4	Very high	32 Å²	32	49.9 Å²	49.9	26%	0.264	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	59.2	32.6	179.6	0	0	0	0	0	115.9	I379 Y434 I462	I379-A436 HydrophobicContact CD1-CB 4.04Å; Y434-A436 PolarHBondContact O-N 2.93Å; A436-I462 HydrophobicContact CB-CD1 3.49Å; A436-I462 VanDerWaalsContact CB-CD1 3.49Å; A436-I462 HydrophobicContact CB-CG1 3.73Å; A436-I462 HydrophobicContact CB-CG2 4.39Å
437	G	87.1	Confident	91.8	Very high	34 Å²	34	48.7 Å²	48.7	35%	0.351	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	102.6	-4.3	175.4	0	0	0	0	0	114.6	Y434 N435 K439	Y434-G437 PolarHBondContact O-N 3.23Å; N435-G437 VanDerWaalsContact C-N 3.33Å; N435-G437 PolarHBondContact O-N 3.42Å; G437-K439 PolarHBondContact O-N 2.89Å
438	K	88.1	Confident	91.3	Very high	150 Å²	150	48.9 Å²	48.9	65%	0.652	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.9	175.5	-70	175.4	-162	175.5	0	113.1	D376 Y434 N435	D376-K438 IonicContact OD2-NZ 3.82Å; D376-K438 PolarHBondContact OD2-NZ 2.89Å; Y434-K438 PolarHBondContact O-N 3.47Å; Y434-K438 VanDerWaalsContact O-N 3.13Å; N435-K438 HydrophobicContact CB-CB 4.26Å; N435-K438 HydrophobicContact CB-CD 3.83Å; N435-K438 HydrophobicContact CB-CG 4.37Å; N435-K438 WeakPolarHBondContact O-CD 3.25Å; N435-K438 VanDerWaalsContact O-CG 3.23Å; N435-K438 WeakPolarHBondContact O-CG 3.36Å; N435-K438 PolarHBondContact O-N 3.28Å
439	K	92.4	Very high	90.9	Very high	112 Å²	112	48.7 Å²	48.7	49%	0.487	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	143.2	168.1	160.6	-172.2	165.2	-170.4	0	109	Y434 G437 V441	Y434-K439 WeakPolarHBondContact CB-O 3.32Å; Y434-K439 HydrophobicContact CD2-CB 4.41Å; Y434-K439 HydrophobicContact CD2-CD 3.89Å; Y434-K439 HydrophobicContact CD2-CG 3.84Å; Y434-K439 HydrophobicContact CE2-CD 4.25Å; Y434-K439 HydrophobicContact CG-CD 4.19Å; Y434-K439 HydrophobicContact CG-CG 4.32Å; Y434-K439 PolarHBondContact N-O 3.28Å; Y434-K439 PolarHBondContact O-N 2.61Å; G437-K439 PolarHBondContact O-N 2.89Å; K439-V441 VanDerWaalsContact CE-CG2 3.46Å
440	V	93.9	Very high	90.6	Very high	39 Å²	39	48.1 Å²	48.1	24%	0.236	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.9	172	-179.7	0	0	0	0	108.9	M431 K432 V442 M458	M431-V440 HydrophobicContact CE-CG1 3.59Å; M431-V440 HydrophobicContact CG-CG1 3.99Å; M431-V440 HydrophobicContact SD-CG1 4.02Å; K432-V440 WeakPolarHBondContact O-CA 3.17Å; V440-V442 HydrophobicContact CG1-CG2 4.06Å; V440-M458 HydrophobicContact CB-CG 4.3Å; V440-M458 HydrophobicContact CG1-CG 4.01Å; V440-M458 HydrophobicContact CG2-CG 4.19Å
441	V	95.6	Very high	90.3	Very high	32 Å²	32	50.6 Å²	50.6	19%	0.194	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.6	169.6	180	0	0	0	0	107.6	M431 K432 Y434 K439	M431-V441 CarbonylContact C-O 3.55Å; M431-V441 WeakPolarHBondContact CA-O 3.29Å; K432-V441 HydrophobicContact CB-CB 4.28Å; K432-V441 PolarHBondContact N-O 2.74Å; K432-V441 PolarHBondContact O-N 2.88Å; Y434-V441 HydrophobicContact CE2-CG2 3.89Å; K439-V441 VanDerWaalsContact CE-CG2 3.46Å
442	V	96.8	Very high	90	Very high	59 Å²	59	53.4 Å²	53.4	36%	0.358	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.5	178.9	-177.9	0	0	0	0	107.7	M431 V440 N445 V454	M431-V442 HydrophobicContact CE-CG2 3.92Å; V440-V442 HydrophobicContact CG1-CG2 4.06Å; V442-N445 HydrophobicContact CG1-CB 3.55Å; V442-V454 HydrophobicContact CG1-CG2 3.86Å; V442-V454 HydrophobicContact CG2-CG1 3.8Å; V442-V454 HydrophobicContact CG2-CG2 4.15Å
443	Y	96.5	Very high	89.9	Confident	65 Å²	65	52.9 Å²	52.9	26%	0.255	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	135.5	-175.5	-174.5	-88.2	0	0	0	110.4	E422 S426 L428 F430 N445	E422-Y443 HydrophobicContact CB-CD2 4.21Å; E422-Y443 HydrophobicContact CB-CE2 3.99Å; E422-Y443 HydrophobicContact CG-CD2 3.76Å; E422-Y443 HydrophobicContact CG-CE2 4.07Å; E422-Y443 HydrophobicContact CG-CG 4.29Å; E422-Y443 PolarHBondContact O-OH 2.96Å; S426-Y443 WeakPolarHBondContact CA-OH 3.42Å; S426-Y443 WeakPolarHBondContact CB-OH 3.22Å; L428-Y443 WeakPolarHBondContact O-CD1 3.27Å; F430-Y443 HydrophobicContact CD1-CD1 4.06Å; F430-Y443 HydrophobicContact CD1-CG 4.46Å; F430-Y443 AromaticContact CE1-CD1 3.44Å; F430-Y443 HydrophobicContact CE1-CD1 3.44Å; F430-Y443 VanDerWaalsContact CE1-CD1 3.44Å; F430-Y443 HydrophobicContact CE1-CE1 4.22Å; F430-Y443 AromaticContact CE1-CG 3.77Å; F430-Y443 HydrophobicContact CE1-CG 3.77Å; F430-Y443 HydrophobicContact CE2-CG 4.21Å; F430-Y443 VanDerWaalsContact CZ-CB 3.46Å; F430-Y443 AromaticContact CZ-CD1 3.82Å; F430-Y443 HydrophobicContact CZ-CD1 3.82Å; F430-Y443 HydrophobicContact CZ-CD2 4.35Å; F430-Y443 AromaticContact CZ-CG 3.63Å; F430-Y443 HydrophobicContact CZ-CG 3.63Å; F430-Y443 PolarHBondContact N-O 3.26Å; F430-Y443 PolarHBondContact O-N 3.18Å; Y443-N445 VanDerWaalsContact C-N 3.26Å; Y443-N445 PolarHBondContact O-N 3.02Å
444	N	92.9	Very high	89.9	Confident	77 Å²	77	53.1 Å²	53.1	41%	0.412	28%	0.283	S	S	.	.	S	Bend	trans	48.5	41	178.7	-161.7	30.8	0	0	0	114.6	S429 E446	S429-N444 VanDerWaalsContact CB-O 3.3Å; S429-N444 WeakPolarHBondContact CB-O 3.37Å; S429-N444 PolarHBondContact OG-O 2.79Å; N444-E446 PolarHBondContact O-N 2.66Å
445	N	86.4	Confident	89.9	Confident	51 Å²	51	56.6 Å²	56.6	27%	0.273	30%	0.296	S	S	.	.			trans	-78.1	101.7	177.5	172.5	101.8	0	0	0	110.3	V442 Y443 E450 S451 V454	V442-N445 HydrophobicContact CG1-CB 3.55Å; Y443-N445 VanDerWaalsContact C-N 3.26Å; Y443-N445 PolarHBondContact O-N 3.02Å; N445-E450 VanDerWaalsContact OD1-C 3.23Å; N445-E450 VanDerWaalsContact OD1-CB 3.28Å; N445-E450 WeakPolarHBondContact OD1-CB 3.1Å; N445-E450 PolarHBondContact OD1-O 3.12Å; N445-S451 PolarHBondContact ND2-OG 2.69Å; N445-S451 PolarHBondContact OD1-N 3.02Å; N445-V454 WeakPolarHBondContact OD1-CG2 3.33Å
446	E	78.3	Confident	90.1	Very high	118 Å²	118	54.8 Å²	54.8	55%	0.551	29%	0.286	S	S	*	.			trans	-110.9	127.7	171.9	-58.6	-174.1	159.1	0	0	109.5	R366 N444 E450	R366-E446 PolarHBondContact NH1-O 2.99Å; N444-E446 PolarHBondContact O-N 2.66Å; E446-E450 VanDerWaalsContact O-OE2 3.13Å
447	G	82.9	Confident	90.6	Very high	36 Å²	36	53.4 Å²	53.4	37%	0.371	28%	0.275	S	S	.	.	S	Bend	trans	114.1	163.8	171.6	0	0	0	0	0	115.4	E450 S451	G447-E450 WeakPolarHBondContact CA-OE2 3.46Å; G447-S451 VanDerWaalsContact O-CB 3.31Å; G447-S451 WeakPolarHBondContact O-CB 3.43Å; G447-S451 PolarHBondContact O-N 2.95Å; G447-S451 PolarHBondContact O-OG 3.22Å
448	H	83.6	Confident	90.8	Very high	90 Å²	90	57.1 Å²	57.1	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-82.8	-29	-174.2	71.1	-85.3	0	0	0	113.4	I247 D249 R452	I247-H448 PolarHBondContact O-NE2 3.47Å; D249-H448 PolarHBondContact O-CE1 3.32Å; H448-R452 WeakPolarHBondContact O-CB 3.17Å; H448-R452 WeakPolarHBondContact O-CG 3.31Å; H448-R452 PolarHBondContact O-N 2.77Å; H448-R452 VanDerWaalsContact O-N 3.08Å
449	V	86.7	Confident	90.9	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-71	-52	178.7	173	0	0	0	0	109.4	I339 S451 R452 I453	I339-V449 HydrophobicContact CD1-CG1 3.49Å; I339-V449 VanDerWaalsContact CD1-CG1 3.49Å; I339-V449 HydrophobicContact CG1-CG1 4.34Å; V449-S451 VanDerWaalsContact C-N 3.32Å; V449-S451 PolarHBondContact O-N 3.23Å; V449-R452 PolarHBondContact O-N 2.74Å; V449-R452 VanDerWaalsContact O-N 3.11Å; V449-I453 HydrophobicContact CG1-CD1 3.73Å; V449-I453 WeakPolarHBondContact O-CD1 3.21Å; V449-I453 VanDerWaalsContact O-CG1 3.29Å; V449-I453 WeakPolarHBondContact O-CG1 3.26Å; V449-I453 PolarHBondContact O-N 3.2Å
450	E	90.6	Very high	90.7	Very high	6 Å²	6	47 Å²	47	3%	0.028	24%	0.242	C	C	.	.	H	α-helix	trans	-56.6	-46.4	175.6	-58.5	88.2	160.8	0	0	110.6	H254 R366 F368 N445 E446 G447 R452 I453 V454	H254-E450 IonicContact CD2-OE1 3.6Å; H254-E450 PolarHBondContact CD2-OE1 3.03Å; H254-E450 IonicContact NE2-OE1 3.53Å; H254-E450 PolarHBondContact NE2-OE1 2.9Å; H254-E450 VanDerWaalsContact NE2-OE1 3.12Å; H254-E450 IonicContact NE2-OE2 3.88Å; R366-E450 IonicContact CZ-OE1 3.74Å; R366-E450 IonicContact NH1-OE1 2.66Å; R366-E450 PolarHBondContact NH1-OE1 2.85Å; R366-E450 IonicContact NH1-OE2 3.69Å; F368-E450 HydrophobicContact CB-CG 4.45Å; F368-E450 HydrophobicContact CD2-CB 4.32Å; F368-E450 HydrophobicContact CD2-CG 4.12Å; F368-E450 HydrophobicContact CE2-CB 4.45Å; F368-E450 HydrophobicContact CG-CG 4.37Å; N445-E450 VanDerWaalsContact OD1-C 3.23Å; N445-E450 VanDerWaalsContact OD1-CB 3.28Å; N445-E450 WeakPolarHBondContact OD1-CB 3.1Å; N445-E450 PolarHBondContact OD1-O 3.12Å; E446-E450 VanDerWaalsContact O-OE2 3.13Å; G447-E450 WeakPolarHBondContact CA-OE2 3.46Å; E450-R452 VanDerWaalsContact C-N 3.33Å; E450-R452 PolarHBondContact O-N 2.98Å; E450-I453 WeakPolarHBondContact O-CB 3.13Å; E450-I453 PolarHBondContact O-N 3.25Å; E450-V454 WeakPolarHBondContact O-CB 3.42Å; E450-V454 VanDerWaalsContact O-CG2 3.3Å; E450-V454 WeakPolarHBondContact O-CG2 3.4Å; E450-V454 PolarHBondContact O-N 3.03Å
451	S	91.8	Very high	89.9	Confident	52 Å²	52	46.7 Å²	46.7	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-62.6	-35.2	176.9	-58.4	0	0	0	0	113.4	N445 G447 V449 Y455	N445-S451 PolarHBondContact ND2-OG 2.69Å; N445-S451 PolarHBondContact OD1-N 3.02Å; G447-S451 VanDerWaalsContact O-CB 3.31Å; G447-S451 WeakPolarHBondContact O-CB 3.43Å; G447-S451 PolarHBondContact O-N 2.95Å; G447-S451 PolarHBondContact O-OG 3.22Å; V449-S451 VanDerWaalsContact C-N 3.32Å; V449-S451 PolarHBondContact O-N 3.23Å; S451-Y455 WeakPolarHBondContact O-CB 3.38Å; S451-Y455 PolarHBondContact O-N 2.97Å
452	R	91.3	Very high	88.8	Confident	58 Å²	58	47.2 Å²	47.2	22%	0.219	24%	0.239	C	C	.	.	H	α-helix	trans	-72.4	-37.3	174	-82.2	177.1	165.8	-88.5	-4.2	112.4	H448 V449 E450 Y456 E589	H448-R452 WeakPolarHBondContact O-CB 3.17Å; H448-R452 WeakPolarHBondContact O-CG 3.31Å; H448-R452 PolarHBondContact O-N 2.77Å; H448-R452 VanDerWaalsContact O-N 3.08Å; V449-R452 PolarHBondContact O-N 2.74Å; V449-R452 VanDerWaalsContact O-N 3.11Å; E450-R452 VanDerWaalsContact C-N 3.33Å; E450-R452 PolarHBondContact O-N 2.98Å; R452-Y456 WeakPolarHBondContact O-CB 3.29Å; R452-Y456 PolarHBondContact O-N 2.77Å; R452-E589 IonicContact CZ-OE1 3.81Å; R452-E589 IonicContact CZ-OE2 3.76Å; R452-E589 IonicContact NH1-OE1 3.77Å; R452-E589 PolarHBondContact NH1-OE1 2.84Å; R452-E589 IonicContact NH1-OE2 3.22Å; R452-E589 PolarHBondContact NH1-OE2 2.94Å; R452-E589 IonicContact NH2-OE2 2.74Å; R452-E589 PolarHBondContact NH2-OE2 2.82Å; R452-E589 VanDerWaalsContact NH2-OE2 3.08Å
453	I	93.2	Very high	87.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-49.3	171.8	-66	154.5	0	0	0	109.3	I256 L273 F368 V449 E450 Y455 Y456 L457	I256-I453 HydrophobicContact CD1-CD1 3.4Å; I256-I453 VanDerWaalsContact CD1-CD1 3.4Å; I256-I453 HydrophobicContact CD1-CG1 4.04Å; I256-I453 HydrophobicContact CG1-CD1 4.16Å; L273-I453 HydrophobicContact CD1-CB 4.41Å; L273-I453 HydrophobicContact CD1-CG1 4.16Å; L273-I453 HydrophobicContact CD1-CG2 4.08Å; L273-I453 HydrophobicContact CD2-CG2 3.92Å; F368-I453 HydrophobicContact CD1-CG2 4.27Å; F368-I453 HydrophobicContact CE1-CG2 4Å; V449-I453 HydrophobicContact CG1-CD1 3.73Å; V449-I453 WeakPolarHBondContact O-CD1 3.21Å; V449-I453 VanDerWaalsContact O-CG1 3.29Å; V449-I453 WeakPolarHBondContact O-CG1 3.26Å; V449-I453 PolarHBondContact O-N 3.2Å; E450-I453 WeakPolarHBondContact O-CB 3.13Å; E450-I453 PolarHBondContact O-N 3.25Å; I453-Y455 PolarHBondContact O-N 2.76Å; I453-Y456 PolarHBondContact O-N 2.93Å; I453-L457 HydrophobicContact CG2-CD1 3.67Å; I453-L457 HydrophobicContact CG2-CG 4.15Å; I453-L457 WeakPolarHBondContact O-CB 3.18Å; I453-L457 VanDerWaalsContact O-CG 3.25Å; I453-L457 WeakPolarHBondContact O-CG 3.27Å; I453-L457 PolarHBondContact O-N 3.39Å
454	V	94.6	Very high	86.9	Confident	17 Å²	17	49.6 Å²	49.6	10%	0.103	26%	0.263	C	S	.	.	H	α-helix	trans	-55.3	-52.2	176.8	166.3	0	0	0	0	111.1	F368 M431 V442 N445 E450 Y456 L457 M458	F368-V454 HydrophobicContact CZ-CG2 3.81Å; M431-V454 HydrophobicContact CE-CB 3.93Å; M431-V454 HydrophobicContact CE-CG1 3.84Å; M431-V454 HydrophobicContact CE-CG2 3.87Å; V442-V454 HydrophobicContact CG1-CG2 3.86Å; V442-V454 HydrophobicContact CG2-CG1 3.8Å; V442-V454 HydrophobicContact CG2-CG2 4.15Å; N445-V454 WeakPolarHBondContact OD1-CG2 3.33Å; E450-V454 WeakPolarHBondContact O-CB 3.42Å; E450-V454 VanDerWaalsContact O-CG2 3.3Å; E450-V454 WeakPolarHBondContact O-CG2 3.4Å; E450-V454 PolarHBondContact O-N 3.03Å; V454-Y456 PolarHBondContact O-N 2.74Å; V454-L457 PolarHBondContact O-N 3.1Å; V454-M458 HydrophobicContact CG1-CG 4.47Å; V454-M458 HydrophobicContact CG1-SD 3.79Å; V454-M458 WeakPolarHBondContact O-CB 3.46Å; V454-M458 VanDerWaalsContact O-CG 3.29Å; V454-M458 WeakPolarHBondContact O-CG 3.5Å; V454-M458 PolarHBondContact O-N 3.24Å
455	Y	93.3	Very high	86.7	Confident	121 Å²	121	46.4 Å²	46.4	48%	0.475	25%	0.245	S	C	.	.	H	α-helix	trans	-59.9	-43.7	-179.8	174.7	-117.4	0	0	0	112.5	S451 I453 N459 M593	S451-Y455 WeakPolarHBondContact O-CB 3.38Å; S451-Y455 PolarHBondContact O-N 2.97Å; I453-Y455 PolarHBondContact O-N 2.76Å; Y455-N459 WeakPolarHBondContact CE2-ND2 3.12Å; Y455-N459 PolarHBondContact O-N 2.85Å; Y455-N459 PolarHBondContact O-ND2 3.34Å; Y455-M593 HydrophobicContact CD1-SD 4.21Å; Y455-M593 HydrophobicContact CE1-CB 4.5Å; Y455-M593 HydrophobicContact CE1-CG 3.72Å; Y455-M593 HydrophobicContact CE1-SD 3.87Å
456	Y	93.9	Very high	87.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-47.3	176.1	177.8	-111.4	0	0	0	112.4	K272 L273 Y276 R452 I453 V454 M458 N459 I460 M593 E596 Y616	K272-Y456 HydrophobicContact CB-CE1 4.43Å; K272-Y456 PolarHBondContact O-OH 3.09Å; L273-Y456 HydrophobicContact CB-CE1 4.3Å; L273-Y456 HydrophobicContact CD1-CD1 3.63Å; L273-Y456 HydrophobicContact CD1-CE1 4.12Å; Y276-Y456 AromaticContact CD1-CD1 3.72Å; Y276-Y456 HydrophobicContact CD1-CD1 3.72Å; Y276-Y456 AromaticContact CD1-CD2 3.65Å; Y276-Y456 HydrophobicContact CD1-CD2 3.65Å; Y276-Y456 HydrophobicContact CD1-CE1 4.07Å; Y276-Y456 HydrophobicContact CD1-CE2 4.01Å; Y276-Y456 AromaticContact CD1-CG 3.45Å; Y276-Y456 HydrophobicContact CD1-CG 3.45Å; Y276-Y456 VanDerWaalsContact CD1-CG 3.45Å; Y276-Y456 HydrophobicContact CD2-CD2 4.22Å; Y276-Y456 HydrophobicContact CD2-CE2 4.26Å; Y276-Y456 HydrophobicContact CE1-CD1 4.28Å; Y276-Y456 AromaticContact CE1-CD2 3.94Å; Y276-Y456 HydrophobicContact CE1-CD2 3.94Å; Y276-Y456 AromaticContact CE1-CG 3.66Å; Y276-Y456 HydrophobicContact CE1-CG 3.66Å; Y276-Y456 HydrophobicContact CE2-CD2 4.49Å; Y276-Y456 HydrophobicContact CG-CD1 4.36Å; Y276-Y456 AromaticContact CG-CD2 3.78Å; Y276-Y456 HydrophobicContact CG-CD2 3.78Å; Y276-Y456 HydrophobicContact CG-CE1 4.32Å; Y276-Y456 AromaticContact CG-CE2 3.75Å; Y276-Y456 HydrophobicContact CG-CE2 3.75Å; Y276-Y456 HydrophobicContact CG-CG 4.06Å; Y276-Y456 AromaticContact CG-CZ 4Å; R452-Y456 WeakPolarHBondContact O-CB 3.29Å; R452-Y456 PolarHBondContact O-N 2.77Å; I453-Y456 PolarHBondContact O-N 2.93Å; V454-Y456 PolarHBondContact O-N 2.74Å; Y456-M458 VanDerWaalsContact C-N 3.25Å; Y456-M458 PolarHBondContact O-N 3.02Å; Y456-N459 PolarHBondContact O-N 3.43Å; Y456-I460 HydrophobicContact CD1-CG2 4.16Å; Y456-I460 HydrophobicContact CD2-CG2 4.1Å; Y456-I460 HydrophobicContact CE1-CG2 3.76Å; Y456-I460 HydrophobicContact CE2-CG2 3.68Å; Y456-I460 HydrophobicContact CG-CG2 4.36Å; Y456-I460 PolarHBondContact O-N 2.92Å; Y456-M593 HydrophobicContact CD2-CE 3.61Å; Y456-M593 HydrophobicContact CD2-SD 3.9Å; Y456-M593 HydrophobicContact CE2-CE 4.01Å; Y456-E596 HydrophobicContact CE2-CG 4.13Å; Y456-Y616 PolarHBondContact OH-OH 2.72Å
457	L	92.9	Very high	88	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-67.7	-23.6	-178.1	-66.3	-176	0	0	0	113.5	I269 L273 V370 M431 I453 V454 N459 I460	I269-L457 HydrophobicContact CG2-CD1 4.5Å; I269-L457 HydrophobicContact CG2-CD2 3.58Å; L273-L457 HydrophobicContact CD1-CD2 4.45Å; V370-L457 HydrophobicContact CG1-CD1 3.75Å; V370-L457 HydrophobicContact CG2-CD1 3.92Å; M431-L457 HydrophobicContact CE-CB 4.04Å; M431-L457 HydrophobicContact SD-CB 3.58Å; M431-L457 VanDerWaalsContact SD-CB 3.58Å; M431-L457 HydrophobicContact SD-CD1 3.74Å; M431-L457 HydrophobicContact SD-CG 4.33Å; I453-L457 HydrophobicContact CG2-CD1 3.67Å; I453-L457 HydrophobicContact CG2-CG 4.15Å; I453-L457 WeakPolarHBondContact O-CB 3.18Å; I453-L457 VanDerWaalsContact O-CG 3.25Å; I453-L457 WeakPolarHBondContact O-CG 3.27Å; I453-L457 PolarHBondContact O-N 3.39Å; V454-L457 PolarHBondContact O-N 3.1Å; L457-N459 VanDerWaalsContact C-N 3.32Å; L457-I460 HydrophobicContact CD2-CD1 3.63Å; L457-I460 HydrophobicContact CD2-CG1 4.41Å
458	M	91.6	Very high	88.7	Confident	112 Å²	112	38.3 Å²	38.3	55%	0.552	20%	0.197	S	C	*	.	H	α-helix	trans	-74.8	-17.4	169.5	-74.2	177.4	66.4	0	0	113.9	M431 V440 V454 Y456	M431-M458 HydrophobicContact CE-CG 4.27Å; V440-M458 HydrophobicContact CB-CG 4.3Å; V440-M458 HydrophobicContact CG1-CG 4.01Å; V440-M458 HydrophobicContact CG2-CG 4.19Å; V454-M458 HydrophobicContact CG1-CG 4.47Å; V454-M458 HydrophobicContact CG1-SD 3.79Å; V454-M458 WeakPolarHBondContact O-CB 3.46Å; V454-M458 VanDerWaalsContact O-CG 3.29Å; V454-M458 WeakPolarHBondContact O-CG 3.5Å; V454-M458 PolarHBondContact O-N 3.24Å; Y456-M458 VanDerWaalsContact C-N 3.25Å; Y456-M458 PolarHBondContact O-N 3.02Å
459	N	90	Very high	89.4	Confident	30 Å²	30	34 Å²	34	16%	0.16	18%	0.178	C	C	.	.	H	α-helix	trans	-108.5	-19.1	-177.1	-73.2	-71.3	0	0	0	114	Y455 Y456 L457 E596 R597	Y455-N459 WeakPolarHBondContact CE2-ND2 3.12Å; Y455-N459 PolarHBondContact O-N 2.85Å; Y455-N459 PolarHBondContact O-ND2 3.34Å; Y456-N459 PolarHBondContact O-N 3.43Å; L457-N459 VanDerWaalsContact C-N 3.32Å; N459-E596 CarbonylContact O-C 3.58Å; N459-E596 VanDerWaalsContact O-C 3.28Å; N459-E596 VanDerWaalsContact O-O 3.1Å; N459-R597 HydrophobicContact CB-CB 4.4Å; N459-R597 WeakPolarHBondContact O-CA 3.27Å; N459-R597 PolarHBondContact O-N 3.09Å; N459-R597 WeakPolarHBondContact OD1-CD 3.37Å
460	I	87.4	Confident	90	Very high	18 Å²	18	34 Å²	34	9%	0.092	18%	0.178	C	C	.	.			trans	-71.4	143.7	171.5	66.1	175.2	0	0	0	111.7	I269 K272 Y456 L457 E596	I269-I460 HydrophobicContact CG1-CD1 4.33Å; K272-I460 HydrophobicContact CD-CG2 4.45Å; Y456-I460 HydrophobicContact CD1-CG2 4.16Å; Y456-I460 HydrophobicContact CD2-CG2 4.1Å; Y456-I460 HydrophobicContact CE1-CG2 3.76Å; Y456-I460 HydrophobicContact CE2-CG2 3.68Å; Y456-I460 HydrophobicContact CG-CG2 4.36Å; Y456-I460 PolarHBondContact O-N 2.92Å; L457-I460 HydrophobicContact CD2-CD1 3.63Å; L457-I460 HydrophobicContact CD2-CG1 4.41Å; I460-E596 HydrophobicContact CG2-CB 4.14Å; I460-E596 HydrophobicContact CG2-CG 4.32Å
461	H	76.9	Confident	90.4	Very high	33 Å²	33	34 Å²	34	15%	0.153	18%	0.177	C	C	.	.			trans	-130.3	158.4	163.9	69.3	96.5	0	0	0	112	T463 R465 E596 R597 Q598	H461-T463 PolarHBondContact CE1-OG1 3.02Å; H461-T463 VanDerWaalsContact CE1-OG1 3.25Å; H461-T463 PolarHBondContact ND1-N 3.43Å; H461-T463 PolarHBondContact ND1-OG1 3.04Å; H461-R465 PolarHBondContact CE1-NH1 3.33Å; H461-R465 PolarHBondContact NE2-NH1 3.05Å; H461-R465 PolarHBondContact O-NH1 3.46Å; H461-E596 PolarHBondContact CD2-O 2.94Å; H461-R597 PolarHBondContact CD2-O 2.85Å; H461-Q598 PolarHBondContact NE2-O 3.46Å; H461-Q598 VanDerWaalsContact NE2-O 3.12Å
462	I	73	Confident	90.7	Very high	43 Å²	43	31.7 Å²	31.7	22%	0.221	16%	0.161	C	C	.	.			trans	-94.6	-11.1	-176.7	76.9	-179.8	0	0	0	113.8	F268 I379 A436	F268-I462 HydrophobicContact CD1-CG2 4.11Å; F268-I462 HydrophobicContact CE1-CB 4.33Å; F268-I462 HydrophobicContact CE1-CG2 3.75Å; I379-I462 HydrophobicContact CG2-CD1 3.46Å; I379-I462 VanDerWaalsContact CG2-CD1 3.46Å; A436-I462 HydrophobicContact CB-CD1 3.49Å; A436-I462 VanDerWaalsContact CB-CD1 3.49Å; A436-I462 HydrophobicContact CB-CG1 3.73Å; A436-I462 HydrophobicContact CB-CG2 4.39Å
463	T	74.7	Confident	91.1	Very high	83 Å²	83	28.9 Å²	28.9	51%	0.509	15%	0.15	S	C	.	.	S	Bend	trans	-67.4	139.2	-174.4	57.2	0	0	0	0	111.1	H461 R465	H461-T463 PolarHBondContact CE1-OG1 3.02Å; H461-T463 VanDerWaalsContact CE1-OG1 3.25Å; H461-T463 PolarHBondContact ND1-N 3.43Å; H461-T463 PolarHBondContact ND1-OG1 3.04Å; T463-R465 PolarHBondContact O-N 3.01Å
464	P	79.8	Confident	91.4	Very high	92 Å²	92	28.9 Å²	28.9	60%	0.597	15%	0.15	S	C	*	.			trans	-56.3	138.5	176.7	-26.3	35	0	0	0	112	Q382	Q382-P464 VanDerWaalsContact NE2-CG 3.28Å
465	R	88.8	Confident	91.6	Very high	10 Å²	10	28.1 Å²	28.1	4%	0.038	15%	0.146	C	C	.	.			trans	-156	163.7	179.3	61.9	176	-175.1	-84.6	14.4	110.6	H461 T463 L595 E596 Q598 G599 P640	H461-R465 PolarHBondContact CE1-NH1 3.33Å; H461-R465 PolarHBondContact NE2-NH1 3.05Å; H461-R465 PolarHBondContact O-NH1 3.46Å; T463-R465 PolarHBondContact O-N 3.01Å; R465-L595 PolarHBondContact NE-O 3.06Å; R465-L595 PolarHBondContact NH2-O 3.46Å; R465-E596 IonicContact CZ-OE2 3.62Å; R465-E596 VanDerWaalsContact NH2-CA 3.31Å; R465-E596 PolarHBondContact NH2-O 2.97Å; R465-E596 VanDerWaalsContact NH2-O 3.15Å; R465-E596 IonicContact NH2-OE2 3.65Å; R465-E596 PolarHBondContact NH2-OE2 3.33Å; R465-Q598 WeakPolarHBondContact CD-O 3.49Å; R465-Q598 PolarHBondContact NE-O 3.09Å; R465-G599 WeakPolarHBondContact CD-O 3.39Å; R465-P640 WeakPolarHBondContact O-CD 3.41Å
466	T	94.4	Very high	91.8	Very high	24 Å²	24	26.5 Å²	26.5	15%	0.147	14%	0.142	C	C	.	.			trans	-121.7	126.7	175.4	-49.1	0	0	0	0	110.7	Y468 N600 V601 K637 L638	T466-Y468 HydrophobicContact CG2-CD2 4.01Å; T466-Y468 HydrophobicContact CG2-CE1 4.09Å; T466-Y468 HydrophobicContact CG2-CE2 3.44Å; T466-Y468 VanDerWaalsContact CG2-CE2 3.44Å; T466-N600 PolarHBondContact N-OD1 3.2Å; T466-N600 WeakPolarHBondContact O-CA 3.47Å; T466-V601 PolarHBondContact O-N 3.15Å; T466-K637 HydrophobicContact CG2-CD 4.18Å; T466-K637 HydrophobicContact CG2-CG 3.45Å; T466-K637 VanDerWaalsContact CG2-CG 3.45Å; T466-L638 WeakPolarHBondContact CA-O 3.26Å
467	I	96.8	Very high	92	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.4	173	-62.6	167.9	0	0	0	107.4	L469 L595 V601 F617 L638	I467-L469 HydrophobicContact CG2-CD2 3.89Å; I467-L469 HydrophobicContact CG2-CG 4.4Å; I467-L595 HydrophobicContact CD1-CB 4.29Å; I467-L595 HydrophobicContact CD1-CD2 4.5Å; I467-L595 HydrophobicContact CG2-CD2 4.28Å; I467-V601 CarbonylContact C-O 3.58Å; I467-V601 WeakPolarHBondContact CA-O 3.47Å; I467-F617 HydrophobicContact CD1-CE1 3.76Å; I467-F617 HydrophobicContact CD1-CE2 4.3Å; I467-F617 HydrophobicContact CD1-CZ 3.57Å; I467-L638 HydrophobicContact CB-CB 4.26Å; I467-L638 PolarHBondContact N-O 2.63Å; I467-L638 WeakPolarHBondContact O-CA 3.43Å; I467-L638 WeakPolarHBondContact O-CB 3.45Å; I467-L638 PolarHBondContact O-N 3.25Å
468	Y	98.3	Very high	92.3	Very high	10 Å²	10	30 Å²	30	4%	0.039	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.2	177.5	-60.7	-99	0	0	0	108.3	T466 F503 I509 V601 L602 V603 V635 K637	T466-Y468 HydrophobicContact CG2-CD2 4.01Å; T466-Y468 HydrophobicContact CG2-CE1 4.09Å; T466-Y468 HydrophobicContact CG2-CE2 3.44Å; T466-Y468 VanDerWaalsContact CG2-CE2 3.44Å; Y468-F503 HydrophobicContact CE1-CE1 4.5Å; Y468-I509 HydrophobicContact CD2-CD1 4.28Å; Y468-I509 HydrophobicContact CE1-CD1 4.38Å; Y468-I509 HydrophobicContact CE2-CD1 3.52Å; Y468-I509 HydrophobicContact CE2-CG1 4.27Å; Y468-V601 PolarHBondContact N-O 3.42Å; Y468-L602 CarbonylContact O-C 3.59Å; Y468-L602 WeakPolarHBondContact O-CA 3.32Å; Y468-V603 PolarHBondContact O-N 2.81Å; Y468-V635 HydrophobicContact CD1-CG1 3.85Å; Y468-V635 HydrophobicContact CG-CG1 4.47Å; Y468-K637 HydrophobicContact CD1-CB 4.05Å; Y468-K637 HydrophobicContact CD1-CG 4.11Å; Y468-K637 HydrophobicContact CE1-CB 4.14Å; Y468-K637 HydrophobicContact CE1-CD 4.09Å; Y468-K637 HydrophobicContact CE1-CG 3.79Å
469	L	98.6	Very high	92.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.4	173.1	-59	-172.4	0	0	0	109	I467 V603 L610 L613 F614 I636 L638	I467-L469 HydrophobicContact CG2-CD2 3.89Å; I467-L469 HydrophobicContact CG2-CG 4.4Å; L469-V603 HydrophobicContact CD2-CB 3.76Å; L469-V603 HydrophobicContact CD2-CG2 3.94Å; L469-L610 HydrophobicContact CB-CD2 4.21Å; L469-L610 HydrophobicContact CD2-CD2 4.34Å; L469-L613 HydrophobicContact CD1-CB 4.13Å; L469-L613 HydrophobicContact CD2-CD1 4.23Å; L469-F614 HydrophobicContact CD1-CB 4.35Å; L469-I636 HydrophobicContact CB-CB 4.33Å; L469-I636 PolarHBondContact N-O 2.89Å; L469-I636 PolarHBondContact O-N 3.44Å; L469-L638 HydrophobicContact CD1-CD1 3.63Å; L469-L638 HydrophobicContact CG-CD1 3.89Å
470	T	98.7	Very high	93	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	158	166.9	-167.2	0	0	0	0	111.9	Y496 L500 L602 V603 V604 S605 L610 T634	T470-Y496 PolarHBondContact OG1-OH 2.9Å; T470-L500 HydrophobicContact CG2-CD1 4.37Å; T470-L500 HydrophobicContact CG2-CD2 4.05Å; T470-L602 HydrophobicContact CG2-CD1 4.14Å; T470-V603 PolarHBondContact N-O 2.88Å; T470-V604 HydrophobicContact CG2-CG2 3.85Å; T470-V604 WeakPolarHBondContact O-CA 3.28Å; T470-S605 PolarHBondContact O-N 2.89Å; T470-L610 VanDerWaalsContact O-CD1 3.25Å; T470-L610 WeakPolarHBondContact O-CD1 3.46Å; T470-T634 WeakPolarHBondContact CB-O 3.42Å; T470-T634 PolarHBondContact OG1-O 2.83Å
471	R	98.8	Very high	93.4	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	160.4	171.3	-70.2	172.1	58.4	179.5	-2.6	109.7	S605 L610 V630 L632 T659	R471-S605 CarbonylContact C-O 3.58Å; R471-S605 VanDerWaalsContact CA-O 3.28Å; R471-S605 WeakPolarHBondContact CA-O 3.19Å; R471-L610 HydrophobicContact CB-CD1 4.35Å; R471-L610 HydrophobicContact CG-CD1 3.55Å; R471-V630 WeakPolarHBondContact CD-O 3.41Å; R471-V630 HydrophobicContact CG-CG1 4.04Å; R471-V630 PolarHBondContact NH1-O 3.11Å; R471-L632 HydrophobicContact CB-CD2 4.09Å; R471-T659 VanDerWaalsContact CZ-OG1 3.29Å; R471-T659 PolarHBondContact NH1-OG1 3.13Å; R471-T659 PolarHBondContact NH2-OG1 3.02Å
472	H	98.8	Very high	94.4	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.019	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-49.6	154.9	154.9	56.6	82.1	0	0	0	110.9	N478 R521 T525 S605 H606 L632	H472-N478 PolarHBondContact CE1-OD1 3.12Å; H472-R521 HydrophobicContact CB-CB 4.05Å; H472-R521 HydrophobicContact CB-CG 4.08Å; H472-R521 WeakPolarHBondContact CB-O 3Å; H472-R521 VanDerWaalsContact CE1-CD 3.47Å; H472-R521 WeakPolarHBondContact CE1-CD 3.16Å; H472-R521 PolarHBondContact NE2-NE 3.32Å; H472-R521 VanDerWaalsContact NE2-NE 3.19Å; H472-T525 VanDerWaalsContact CA-OG1 3.29Å; H472-T525 WeakPolarHBondContact CA-OG1 3.5Å; H472-S605 PolarHBondContact CD2-O 2.96Å; H472-S605 PolarHBondContact N-O 3.37Å; H472-H606 AromaticContact CD2-CE1 3.55Å; H472-H606 AromaticContact CD2-CG 3.9Å; H472-H606 AromaticContact CD2-ND1 3.01Å; H472-H606 PolarHBondContact CD2-ND1 2.97Å; H472-H606 AromaticContact NE2-CE1 3.95Å; H472-H606 AromaticContact NE2-ND1 3.11Å; H472-H606 PolarHBondContact NE2-ND1 3.47Å; H472-H606 VanDerWaalsContact NE2-ND1 3.11Å; H472-L632 VanDerWaalsContact O-CD2 3.26Å; H472-L632 WeakPolarHBondContact O-CD2 3.34Å
473	G	98.7	Very high	95.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-55.2	160.4	165	0	0	0	0	0	111.5	S475 L489 T525	G473-S475 PolarHBondContact O-N 3.02Å; G473-L489 WeakPolarHBondContact O-CD2 3.39Å; G473-T525 PolarHBondContact N-OG1 3.25Å
474	E	98.8	Very high	96.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-47.5	130.3	175.3	-179.1	178.9	-103.1	0	0	111.3	N478 L479 L489 S490 R492 G493 L632 H633 A656 V657	E474-N478 HydrophobicContact CG-CB 4.17Å; E474-L479 VanDerWaalsContact CD-CD2 3.49Å; E474-L479 HydrophobicContact CG-CD2 4.35Å; E474-L479 HydrophobicContact CG-CG 4.21Å; E474-L479 WeakPolarHBondContact OE2-CD2 3.31Å; E474-L489 CarbonylContact O-C 3.57Å; E474-L489 WeakPolarHBondContact O-CA 3.41Å; E474-S490 PolarHBondContact O-N 3.42Å; E474-S490 PolarHBondContact O-OG 3.1Å; E474-S490 PolarHBondContact OE2-OG 2.92Å; E474-R492 IonicContact OE1-CZ 2.94Å; E474-R492 IonicContact OE1-NE 3.08Å; E474-R492 IonicContact OE1-NH2 3.5Å; E474-R492 PolarHBondContact OE1-NH2 3.18Å; E474-R492 IonicContact OE2-CZ 3.47Å; E474-R492 IonicContact OE2-NE 3.57Å; E474-R492 PolarHBondContact OE2-NE 3.02Å; E474-R492 IonicContact OE2-NH2 2.68Å; E474-R492 PolarHBondContact OE2-NH2 3.48Å; E474-G493 WeakPolarHBondContact O-CA 3.44Å; E474-L632 HydrophobicContact CB-CD1 4.09Å; E474-L632 HydrophobicContact CG-CD1 4.3Å; E474-H633 PolarHBondContact N-NE2 3.2Å; E474-A656 HydrophobicContact CB-CB 4.48Å; E474-A656 WeakPolarHBondContact OE1-CA 3.36Å; E474-V657 PolarHBondContact OE1-N 3.36Å
475	S	98.8	Very high	97.3	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.007	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-103	163	174.4	71	0	0	0	0	112.5	G473 Y477 N478 L479 N488	G473-S475 PolarHBondContact O-N 3.02Å; S475-Y477 PolarHBondContact O-N 3.39Å; S475-Y477 VanDerWaalsContact O-N 3.15Å; S475-N478 PolarHBondContact N-OD1 3.49Å; S475-N478 VanDerWaalsContact N-OD1 3.09Å; S475-N478 WeakPolarHBondContact O-CA 3.38Å; S475-N478 WeakPolarHBondContact O-CB 3.49Å; S475-N478 PolarHBondContact O-N 2.86Å; S475-N478 PolarHBondContact OG-N 2.94Å; S475-N478 PolarHBondContact OG-OD1 2.87Å; S475-L479 PolarHBondContact O-N 2.71Å; S475-L479 VanDerWaalsContact O-N 3.14Å; S475-N488 VanDerWaalsContact CA-O 3.26Å; S475-N488 WeakPolarHBondContact CA-O 3.4Å; S475-N488 WeakPolarHBondContact CB-O 3.2Å
476	E	98.6	Very high	97.8	Very high	86 Å²	86	25.9 Å²	25.9	40%	0.402	15%	0.151	S	C	.	.	H	α-helix	trans	-57.4	-29.5	175.7	-58.2	-61.4	173.4	0	0	112.6	S480 N488 S490	E476-S480 WeakPolarHBondContact O-CB 3.36Å; E476-S480 PolarHBondContact O-N 3.36Å; E476-S480 PolarHBondContact O-OG 3.37Å; E476-N488 PolarHBondContact N-O 3.07Å; E476-N488 VanDerWaalsContact N-O 3.14Å; E476-S490 WeakPolarHBondContact OE1-CA 3.01Å
477	Y	98.5	Very high	97.9	Very high	54 Å²	54	25.4 Å²	25.4	21%	0.212	15%	0.148	C	C	.	.	H	α-helix	trans	-75.6	-28.2	174.3	-77	12	0	0	0	112.7	S475 S480 G481 L482 S487 E549	S475-Y477 PolarHBondContact O-N 3.39Å; S475-Y477 VanDerWaalsContact O-N 3.15Å; Y477-S480 CarbonylContact O-C 3.54Å; Y477-S480 PolarHBondContact O-N 3.39Å; Y477-G481 PolarHBondContact O-N 3.02Å; Y477-L482 HydrophobicContact CD1-CD1 3.83Å; Y477-L482 HydrophobicContact CD2-CB 4.18Å; Y477-L482 HydrophobicContact CD2-CD1 4.43Å; Y477-L482 HydrophobicContact CE1-CD1 3.95Å; Y477-L482 HydrophobicContact CG-CB 4.03Å; Y477-L482 HydrophobicContact CG-CD1 4.08Å; Y477-L482 PolarHBondContact O-N 3.25Å; Y477-S487 VanDerWaalsContact CB-OG 3.3Å; Y477-S487 WeakPolarHBondContact CB-OG 3.25Å; Y477-S487 WeakPolarHBondContact CD2-OG 3.34Å; Y477-E549 HydrophobicContact CE2-CB 4.34Å; Y477-E549 HydrophobicContact CE2-CG 3.9Å; Y477-E549 PolarHBondContact OH-OE1 3.18Å
478	N	98.4	Very high	98	Very high	24 Å²	24	29.1 Å²	29.1	13%	0.128	17%	0.168	C	C	.	.	H	α-helix	trans	-67.2	-45.5	170.7	-57.9	148.8	0	0	0	110.6	H472 E474 S475 S480 G481 L632 V657 T659	H472-N478 PolarHBondContact CE1-OD1 3.12Å; E474-N478 HydrophobicContact CG-CB 4.17Å; S475-N478 PolarHBondContact N-OD1 3.49Å; S475-N478 VanDerWaalsContact N-OD1 3.09Å; S475-N478 WeakPolarHBondContact O-CA 3.38Å; S475-N478 WeakPolarHBondContact O-CB 3.49Å; S475-N478 PolarHBondContact O-N 2.86Å; S475-N478 PolarHBondContact OG-N 2.94Å; S475-N478 PolarHBondContact OG-OD1 2.87Å; N478-S480 PolarHBondContact O-N 2.92Å; N478-G481 PolarHBondContact O-N 2.95Å; N478-G481 VanDerWaalsContact O-N 3.12Å; N478-L632 HydrophobicContact CB-CD1 4.33Å; N478-V657 HydrophobicContact CB-CG2 3.86Å; N478-T659 HydrophobicContact CB-CG2 4.27Å
479	L	98.1	Very high	98.1	Very high	83 Å²	83	28.8 Å²	28.8	44%	0.435	17%	0.167	S	C	.	.	H	α-helix	trans	-57.4	-36.2	172.7	-71	179.1	0	0	0	112.6	E474 S475 V657	E474-L479 VanDerWaalsContact CD-CD2 3.49Å; E474-L479 HydrophobicContact CG-CD2 4.35Å; E474-L479 HydrophobicContact CG-CG 4.21Å; E474-L479 WeakPolarHBondContact OE2-CD2 3.31Å; S475-L479 PolarHBondContact O-N 2.71Å; S475-L479 VanDerWaalsContact O-N 3.14Å; L479-V657 HydrophobicContact CD2-CG1 4.05Å
480	S	97.6	Very high	98.1	Very high	68 Å²	68	28.9 Å²	28.9	48%	0.476	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.2	179.9	-53.9	0	0	0	0	114.5	E476 Y477 N478 L482	E476-S480 WeakPolarHBondContact O-CB 3.36Å; E476-S480 PolarHBondContact O-N 3.36Å; E476-S480 PolarHBondContact O-OG 3.37Å; Y477-S480 CarbonylContact O-C 3.54Å; Y477-S480 PolarHBondContact O-N 3.39Å; N478-S480 PolarHBondContact O-N 2.92Å; S480-L482 PolarHBondContact O-N 3.05Å
481	G	97.1	Very high	98.1	Very high	40 Å²	40	32.4 Å²	32.4	41%	0.412	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	12	-176.4	0	0	0	0	0	115.7	Y477 N478 T551	Y477-G481 PolarHBondContact O-N 3.02Å; N478-G481 PolarHBondContact O-N 2.95Å; N478-G481 VanDerWaalsContact O-N 3.12Å; G481-T551 WeakPolarHBondContact O-CA 3.46Å
482	L	98.1	Very high	98	Very high	36 Å²	36	36 Å²	36	19%	0.188	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-83.9	140.7	-176.9	-56.6	174.8	0	0	0	111.5	Y477 S480 M550 T551	Y477-L482 HydrophobicContact CD1-CD1 3.83Å; Y477-L482 HydrophobicContact CD2-CB 4.18Å; Y477-L482 HydrophobicContact CD2-CD1 4.43Å; Y477-L482 HydrophobicContact CE1-CD1 3.95Å; Y477-L482 HydrophobicContact CG-CB 4.03Å; Y477-L482 HydrophobicContact CG-CD1 4.08Å; Y477-L482 PolarHBondContact O-N 3.25Å; S480-L482 PolarHBondContact O-N 3.05Å; L482-M550 WeakPolarHBondContact CA-O 3.5Å; L482-T551 HydrophobicContact CD2-CG2 3.68Å
483	I	97.1	Very high	98	Very high	24 Å²	24	35.8 Å²	35.8	12%	0.123	21%	0.21	C	C	.	.			trans	-93.1	158.1	172.7	72.9	172.6	0	0	0	112	A544 C547 E549 M550 Y552 I555 Y575	I483-A544 HydrophobicContact CD1-CB 3.66Å; I483-A544 HydrophobicContact CG1-CB 4.21Å; I483-C547 HydrophobicContact CD1-CB 4.41Å; I483-C547 WeakPolarHBondContact CG1-O 3.03Å; I483-E549 WeakPolarHBondContact O-CA 3.49Å; I483-E549 PolarHBondContact O-N 3.04Å; I483-M550 PolarHBondContact N-O 3.1Å; I483-Y552 HydrophobicContact CG2-CD2 4.35Å; I483-Y552 HydrophobicContact CG2-CE2 3.79Å; I483-I555 HydrophobicContact CD1-CD1 3.54Å; I483-I555 HydrophobicContact CG1-CD1 4.18Å; I483-Y575 HydrophobicContact CD1-CE1 4.32Å; I483-Y575 WeakPolarHBondContact CD1-OH 3.44Å
484	G	95.1	Very high	98.1	Very high	14 Å²	14	40 Å²	40	14%	0.144	23%	0.229	C	C	.	.	S	Bend	trans	73.3	-144.3	175.3	0	0	0	0	0	114.2	R521 E548	G484-R521 PolarHBondContact O-NH2 3.12Å; G484-E548 WeakPolarHBondContact CA-OE1 3.38Å; G484-E548 VanDerWaalsContact CA-OE2 3.28Å; G484-E548 WeakPolarHBondContact CA-OE2 3.17Å
485	G	96	Very high	98	Very high	7 Å²	7	44.8 Å²	44.8	7%	0.072	25%	0.252	C	S	.	.	S	Bend	trans	67.7	-177.3	171.7	0	0	0	0	0	115.5	R521 E548	G485-R521 PolarHBondContact O-NH1 3.29Å; G485-R521 PolarHBondContact O-NH2 3.44Å; G485-E548 PolarHBondContact N-OE2 3.34Å
486	D	97.9	Very high	98	Very high	62 Å²	62	44.8 Å²	44.8	33%	0.332	25%	0.251	S	S	.	.			trans	-133.8	49.7	-180	-167.5	35.9	0	0	0	112.9	M519 K520	D486-M519 WeakPolarHBondContact OD1-CA 3.45Å; D486-M519 WeakPolarHBondContact OD1-CB 3.4Å; D486-K520 VanDerWaalsContact CG-NZ 3.34Å; D486-K520 PolarHBondContact O-NZ 3.41Å; D486-K520 PolarHBondContact OD1-N 2.82Å; D486-K520 IonicContact OD2-NZ 3.53Å; D486-K520 PolarHBondContact OD2-NZ 2.93Å
487	S	98.1	Very high	98.1	Very high	14 Å²	14	40.9 Å²	40.9	10%	0.098	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-72.5	158.2	174.9	48.8	0	0	0	0	113.6	Y477	Y477-S487 VanDerWaalsContact CB-OG 3.3Å; Y477-S487 WeakPolarHBondContact CB-OG 3.25Å; Y477-S487 WeakPolarHBondContact CD2-OG 3.34Å
488	N	98.6	Very high	98	Very high	78 Å²	78	42.5 Å²	42.5	42%	0.417	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-74.5	166.5	174.1	-64.9	-41.2	0	0	0	112	S475 E476 K520 Q524	S475-N488 VanDerWaalsContact CA-O 3.26Å; S475-N488 WeakPolarHBondContact CA-O 3.4Å; S475-N488 WeakPolarHBondContact CB-O 3.2Å; E476-N488 PolarHBondContact N-O 3.07Å; E476-N488 VanDerWaalsContact N-O 3.14Å; N488-K520 WeakPolarHBondContact OD1-CD 3.32Å; N488-Q524 PolarHBondContact OD1-NE2 3.49Å
489	L	98.8	Very high	98.1	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-59.5	145.7	163.4	-65.1	-178	0	0	0	112.2	G473 E474 A497 R521 Q524	G473-L489 WeakPolarHBondContact O-CD2 3.39Å; E474-L489 CarbonylContact O-C 3.57Å; E474-L489 WeakPolarHBondContact O-CA 3.41Å; L489-A497 HydrophobicContact CD1-CB 4.35Å; L489-R521 HydrophobicContact CD2-CB 3.93Å; L489-Q524 HydrophobicContact CD1-CB 3.57Å; L489-Q524 HydrophobicContact CG-CB 3.84Å
490	S	98.8	Very high	98.1	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.021	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-73.7	172.2	165.3	82.8	0	0	0	0	110.9	E474 E476 R492 G493 H494	E474-S490 PolarHBondContact O-N 3.42Å; E474-S490 PolarHBondContact O-OG 3.1Å; E474-S490 PolarHBondContact OE2-OG 2.92Å; E476-S490 WeakPolarHBondContact OE1-CA 3.01Å; S490-R492 PolarHBondContact O-N 2.87Å; S490-R492 PolarHBondContact OG-N 3.11Å; S490-R492 VanDerWaalsContact OG-N 3.14Å; S490-G493 WeakPolarHBondContact O-CA 3.38Å; S490-G493 PolarHBondContact O-N 3.45Å; S490-G493 PolarHBondContact OG-N 2.97Å; S490-G493 VanDerWaalsContact OG-N 3.11Å; S490-H494 PolarHBondContact O-CD2 3.24Å; S490-H494 PolarHBondContact O-N 3.37Å
491	A	98.6	Very high	98.1	Very high	75 Å²	75	36.3 Å²	36.3	62%	0.62	21%	0.213	S	C	*	.	H	α-helix	trans	-53.5	-36.7	170.4	0	0	0	0	0	112.9	Q495	A491-Q495 WeakPolarHBondContact O-CG 3.42Å; A491-Q495 PolarHBondContact O-N 3.03Å
492	R	98.6	Very high	98.1	Very high	78 Å²	78	38.1 Å²	38.1	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-75.7	-34.9	174.7	-57.4	-166.3	-65.7	-170.1	-2.2	111.9	E474 S490 H494 Q495 Y496 I654 D655	E474-R492 IonicContact OE1-CZ 2.94Å; E474-R492 IonicContact OE1-NE 3.08Å; E474-R492 IonicContact OE1-NH2 3.5Å; E474-R492 PolarHBondContact OE1-NH2 3.18Å; E474-R492 IonicContact OE2-CZ 3.47Å; E474-R492 IonicContact OE2-NE 3.57Å; E474-R492 PolarHBondContact OE2-NE 3.02Å; E474-R492 IonicContact OE2-NH2 2.68Å; E474-R492 PolarHBondContact OE2-NH2 3.48Å; S490-R492 PolarHBondContact O-N 2.87Å; S490-R492 PolarHBondContact OG-N 3.11Å; S490-R492 VanDerWaalsContact OG-N 3.14Å; R492-H494 VanDerWaalsContact C-N 3.31Å; R492-H494 PolarHBondContact O-N 3.14Å; R492-Q495 WeakPolarHBondContact O-CB 3.48Å; R492-Q495 PolarHBondContact O-N 3.45Å; R492-Y496 PolarHBondContact O-N 2.93Å; R492-I654 HydrophobicContact CB-CG2 4.17Å; R492-I654 WeakPolarHBondContact O-CG2 3.45Å; R492-D655 WeakPolarHBondContact CD-O 3.38Å; R492-D655 PolarHBondContact NE-O 3.14Å
493	G	98.8	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.5	-41.7	171.5	0	0	0	0	0	112.7	E474 S490 Y496 A497	E474-G493 WeakPolarHBondContact O-CA 3.44Å; S490-G493 WeakPolarHBondContact O-CA 3.38Å; S490-G493 PolarHBondContact O-N 3.45Å; S490-G493 PolarHBondContact OG-N 2.97Å; S490-G493 VanDerWaalsContact OG-N 3.11Å; G493-Y496 PolarHBondContact O-N 3.2Å; G493-A497 PolarHBondContact O-N 3.12Å
494	H	98.8	Very high	98.2	Very high	89 Å²	89	36.9 Å²	36.9	41%	0.412	21%	0.209	S	C	.	.	H	α-helix	trans	-66	-39.7	173.2	-85.4	-81	0	0	0	113	S490 R492 Y496 A497 N498	S490-H494 PolarHBondContact O-CD2 3.24Å; S490-H494 PolarHBondContact O-N 3.37Å; R492-H494 VanDerWaalsContact C-N 3.31Å; R492-H494 PolarHBondContact O-N 3.14Å; H494-Y496 VanDerWaalsContact C-N 3.3Å; H494-Y496 PolarHBondContact O-N 2.92Å; H494-A497 PolarHBondContact O-N 3Å; H494-N498 PolarHBondContact O-N 2.84Å
495	Q	98.7	Very high	98.2	Very high	101 Å²	101	38.9 Å²	38.9	47%	0.472	23%	0.225	S	C	.	.	H	α-helix	trans	-61.5	-39.6	172.4	-69.3	167.9	-3.2	0	0	111.7	A491 R492 N498 A499 I654	A491-Q495 WeakPolarHBondContact O-CG 3.42Å; A491-Q495 PolarHBondContact O-N 3.03Å; R492-Q495 WeakPolarHBondContact O-CB 3.48Å; R492-Q495 PolarHBondContact O-N 3.45Å; Q495-N498 PolarHBondContact O-N 2.8Å; Q495-A499 WeakPolarHBondContact O-CB 3.39Å; Q495-A499 PolarHBondContact O-N 2.81Å; Q495-I654 HydrophobicContact CB-CD1 3.96Å; Q495-I654 HydrophobicContact CB-CG1 4.35Å; Q495-I654 HydrophobicContact CB-CG2 3.97Å
496	Y	98.8	Very high	98.3	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.7	-40.3	174.3	177.1	-107.2	0	0	0	113	T470 R492 G493 H494 N498 A499 L500 T525 H633 L652	T470-Y496 PolarHBondContact OG1-OH 2.9Å; R492-Y496 PolarHBondContact O-N 2.93Å; G493-Y496 PolarHBondContact O-N 3.2Å; H494-Y496 VanDerWaalsContact C-N 3.3Å; H494-Y496 PolarHBondContact O-N 2.92Å; Y496-N498 VanDerWaalsContact C-N 3.32Å; Y496-N498 PolarHBondContact O-N 2.83Å; Y496-A499 PolarHBondContact O-N 2.81Å; Y496-L500 HydrophobicContact CE1-CB 4.4Å; Y496-L500 HydrophobicContact CE1-CD2 4.15Å; Y496-L500 VanDerWaalsContact O-CB 3.3Å; Y496-L500 WeakPolarHBondContact O-CB 3.2Å; Y496-L500 PolarHBondContact O-N 2.9Å; Y496-T525 HydrophobicContact CD1-CG2 4.1Å; Y496-T525 HydrophobicContact CE1-CG2 3.98Å; Y496-H633 WeakPolarHBondContact CB-CD2 3.45Å; Y496-H633 WeakPolarHBondContact CB-NE2 3.15Å; Y496-H633 AromaticContact CD1-CD2 3.63Å; Y496-H633 HydrophobicContact CD2-CB 3.54Å; Y496-H633 AromaticContact CD2-CD2 3.72Å; Y496-H633 AromaticContact CD2-CG 3.68Å; Y496-H633 VanDerWaalsContact CE2-C 3.42Å; Y496-H633 HydrophobicContact CE2-CB 3.9Å; Y496-H633 WeakPolarHBondContact CE2-O 3.23Å; Y496-H633 HydrophobicContact CG-CB 4.05Å; Y496-H633 AromaticContact CG-CD2 3.25Å; Y496-H633 AromaticContact CG-CG 3.68Å; Y496-H633 AromaticContact CG-NE2 3.88Å; Y496-L652 HydrophobicContact CD2-CB 4.15Å; Y496-L652 HydrophobicContact CD2-CD1 4Å; Y496-L652 HydrophobicContact CD2-CG 4.4Å; Y496-L652 HydrophobicContact CE2-CB 4.02Å; Y496-L652 HydrophobicContact CE2-CD1 3.52Å; Y496-L652 HydrophobicContact CE2-CG 3.84Å
497	A	98.8	Very high	98.1	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.033	25%	0.253	C	S	.	.	H	α-helix	trans	-57.1	-45.9	175.4	0	0	0	0	0	111.7	L489 G493 H494 L500 S501	L489-A497 HydrophobicContact CD1-CB 4.35Å; G493-A497 PolarHBondContact O-N 3.12Å; H494-A497 PolarHBondContact O-N 3Å; A497-L500 PolarHBondContact O-N 3.32Å; A497-S501 PolarHBondContact O-N 2.79Å
498	N	98.4	Very high	97.9	Very high	89 Å²	89	52.6 Å²	52.6	48%	0.476	28%	0.283	S	S	.	.	H	α-helix	trans	-63.3	-43.6	176	-65.9	-17.1	0	0	0	112	H494 Q495 Y496 T502	H494-N498 PolarHBondContact O-N 2.84Å; Q495-N498 PolarHBondContact O-N 2.8Å; Y496-N498 VanDerWaalsContact C-N 3.32Å; Y496-N498 PolarHBondContact O-N 2.83Å; N498-T502 WeakPolarHBondContact O-CB 3.29Å; N498-T502 PolarHBondContact O-N 3.12Å; N498-T502 PolarHBondContact O-OG1 3.02Å
499	A	98.6	Very high	97.7	Very high	25 Å²	25	50.2 Å²	50.2	21%	0.207	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-38.8	176.7	0	0	0	0	0	112.1	Q495 Y496 T502 F503 L652 I654	Q495-A499 WeakPolarHBondContact O-CB 3.39Å; Q495-A499 PolarHBondContact O-N 2.81Å; Y496-A499 PolarHBondContact O-N 2.81Å; A499-T502 PolarHBondContact O-N 2.67Å; A499-F503 VanDerWaalsContact O-CB 3.31Å; A499-F503 WeakPolarHBondContact O-CB 3.42Å; A499-F503 PolarHBondContact O-N 3.36Å; A499-L652 HydrophobicContact CB-CB 4.46Å; A499-L652 HydrophobicContact CB-CD1 3.8Å; A499-I654 HydrophobicContact CB-CG1 4.25Å
500	L	98.6	Very high	97.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66.9	-46.6	177.7	179.2	64.7	0	0	0	111.5	T470 Y496 A497 T502 F503 I504 T525 V604 V635 L652	T470-L500 HydrophobicContact CG2-CD1 4.37Å; T470-L500 HydrophobicContact CG2-CD2 4.05Å; Y496-L500 HydrophobicContact CE1-CB 4.4Å; Y496-L500 HydrophobicContact CE1-CD2 4.15Å; Y496-L500 VanDerWaalsContact O-CB 3.3Å; Y496-L500 WeakPolarHBondContact O-CB 3.2Å; Y496-L500 PolarHBondContact O-N 2.9Å; A497-L500 PolarHBondContact O-N 3.32Å; L500-T502 VanDerWaalsContact C-N 3.32Å; L500-T502 PolarHBondContact O-N 2.76Å; L500-F503 PolarHBondContact O-N 3.37Å; L500-I504 HydrophobicContact CD1-CG1 4Å; L500-I504 HydrophobicContact CG-CG1 4.39Å; L500-I504 WeakPolarHBondContact O-CB 3.14Å; L500-I504 VanDerWaalsContact O-CG1 3.26Å; L500-I504 WeakPolarHBondContact O-CG1 3.32Å; L500-I504 PolarHBondContact O-N 3.02Å; L500-T525 HydrophobicContact CD2-CG2 3.76Å; L500-V604 HydrophobicContact CD2-CG2 4.36Å; L500-V635 HydrophobicContact CD1-CG2 3.61Å; L500-L652 HydrophobicContact CB-CD1 4.33Å
501	S	98.1	Very high	97.2	Very high	20 Å²	20	60 Å²	60	14%	0.14	34%	0.339	C	S	.	.	H	α-helix	trans	-59.4	-44.6	174.2	177.5	0	0	0	0	111.4	A497 F503 I504 A505 D528	A497-S501 PolarHBondContact O-N 2.79Å; S501-F503 PolarHBondContact O-N 3.14Å; S501-I504 PolarHBondContact O-N 3.02Å; S501-A505 VanDerWaalsContact O-CB 3.31Å; S501-A505 WeakPolarHBondContact O-CB 3.48Å; S501-A505 PolarHBondContact O-N 2.75Å; S501-D528 PolarHBondContact OG-O 2.95Å
502	T	97.9	Very high	97.1	Very high	77 Å²	77	57.1 Å²	57.1	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-60.4	-47.1	176.6	-56	0	0	0	0	111.8	N498 A499 L500 A505 Q506	N498-T502 WeakPolarHBondContact O-CB 3.29Å; N498-T502 PolarHBondContact O-N 3.12Å; N498-T502 PolarHBondContact O-OG1 3.02Å; A499-T502 PolarHBondContact O-N 2.67Å; L500-T502 VanDerWaalsContact C-N 3.32Å; L500-T502 PolarHBondContact O-N 2.76Å; T502-A505 PolarHBondContact O-N 2.77Å; T502-Q506 VanDerWaalsContact O-CG 3.28Å; T502-Q506 WeakPolarHBondContact O-CG 3.41Å; T502-Q506 PolarHBondContact O-N 2.78Å
503	F	97.9	Very high	97.1	Very high	22 Å²	22	57.3 Å²	57.3	10%	0.096	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-51.3	176.9	168.4	-101.2	0	0	0	111.7	Y468 A499 L500 S501 A505 Q506 Q507 V635 I650 L652	Y468-F503 HydrophobicContact CE1-CE1 4.5Å; A499-F503 VanDerWaalsContact O-CB 3.31Å; A499-F503 WeakPolarHBondContact O-CB 3.42Å; A499-F503 PolarHBondContact O-N 3.36Å; L500-F503 PolarHBondContact O-N 3.37Å; S501-F503 PolarHBondContact O-N 3.14Å; F503-A505 VanDerWaalsContact C-N 3.31Å; F503-A505 PolarHBondContact O-N 2.86Å; F503-Q506 WeakPolarHBondContact O-CB 3.46Å; F503-Q506 PolarHBondContact O-N 3.26Å; F503-Q507 HydrophobicContact CD1-CG 4.42Å; F503-Q507 HydrophobicContact CD2-CG 4.46Å; F503-Q507 HydrophobicContact CE1-CG 3.93Å; F503-Q507 HydrophobicContact CE2-CG 3.97Å; F503-Q507 HydrophobicContact CZ-CG 3.67Å; F503-Q507 WeakPolarHBondContact O-CG 3.33Å; F503-Q507 PolarHBondContact O-N 3.32Å; F503-V635 HydrophobicContact CD1-CG2 4.39Å; F503-V635 HydrophobicContact CE1-CB 4.47Å; F503-V635 HydrophobicContact CE1-CG1 4.28Å; F503-V635 HydrophobicContact CE1-CG2 4.34Å; F503-I650 HydrophobicContact CE2-CD1 4.16Å; F503-I650 HydrophobicContact CE2-CG2 3.98Å; F503-I650 HydrophobicContact CZ-CD1 3.66Å; F503-I650 HydrophobicContact CZ-CG2 4.23Å; F503-L652 HydrophobicContact CB-CD1 4.35Å; F503-L652 HydrophobicContact CB-CD2 4.33Å; F503-L652 HydrophobicContact CD2-CD2 4.39Å; F503-L652 HydrophobicContact CG-CD2 4.29Å
504	I	97.5	Very high	97.1	Very high	12 Å²	12	57.3 Å²	57.3	6%	0.062	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-39.6	-179.3	-68.3	-66.8	0	0	0	111.3	L500 S501 Q506 Q507 I509 L512 V529 L602	L500-I504 HydrophobicContact CD1-CG1 4Å; L500-I504 HydrophobicContact CG-CG1 4.39Å; L500-I504 WeakPolarHBondContact O-CB 3.14Å; L500-I504 VanDerWaalsContact O-CG1 3.26Å; L500-I504 WeakPolarHBondContact O-CG1 3.32Å; L500-I504 PolarHBondContact O-N 3.02Å; S501-I504 PolarHBondContact O-N 3.02Å; I504-Q506 VanDerWaalsContact C-N 3.34Å; I504-Q506 PolarHBondContact O-N 3.2Å; I504-Q507 PolarHBondContact O-N 3.15Å; I504-I509 HydrophobicContact CD1-CD1 4.22Å; I504-L512 HydrophobicContact CG2-CD2 3.42Å; I504-L512 VanDerWaalsContact CG2-CD2 3.42Å; I504-V529 HydrophobicContact CG2-CG1 4.02Å; I504-L602 HydrophobicContact CD1-CD1 4.37Å; I504-L602 HydrophobicContact CD1-CD2 3.98Å; I504-L602 HydrophobicContact CG1-CD2 3.97Å
505	A	96.6	Very high	97.1	Very high	57 Å²	57	53.1 Å²	53.1	47%	0.471	29%	0.294	S	S	.	.	H	α-helix	trans	-64.2	-36.1	173.6	0	0	0	0	0	112.5	S501 T502 F503 Q507 Q508	S501-A505 VanDerWaalsContact O-CB 3.31Å; S501-A505 WeakPolarHBondContact O-CB 3.48Å; S501-A505 PolarHBondContact O-N 2.75Å; T502-A505 PolarHBondContact O-N 2.77Å; F503-A505 VanDerWaalsContact C-N 3.31Å; F503-A505 PolarHBondContact O-N 2.86Å; A505-Q507 VanDerWaalsContact C-N 3.33Å; A505-Q508 PolarHBondContact O-N 2.96Å; A505-Q508 PolarHBondContact O-NE2 3.47Å
506	Q	96.6	Very high	97.1	Very high	136 Å²	136	48.3 Å²	48.3	64%	0.636	27%	0.272	S	S	*	.	H	α-helix	trans	-69.5	-27.4	174.9	-72.5	168.4	-3.5	0	0	113.3	T502 F503 I504 Q508	T502-Q506 VanDerWaalsContact O-CG 3.28Å; T502-Q506 WeakPolarHBondContact O-CG 3.41Å; T502-Q506 PolarHBondContact O-N 2.78Å; F503-Q506 WeakPolarHBondContact O-CB 3.46Å; F503-Q506 PolarHBondContact O-N 3.26Å; I504-Q506 VanDerWaalsContact C-N 3.34Å; I504-Q506 PolarHBondContact O-N 3.2Å; Q506-Q508 VanDerWaalsContact C-N 3.28Å; Q506-Q508 PolarHBondContact O-N 3.08Å
507	Q	94.9	Very high	97.1	Very high	77 Å²	77	48.3 Å²	48.3	36%	0.36	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-15.5	178.2	-63.2	-56.9	-84.7	0	0	113.9	F503 I504 A505 I509	F503-Q507 HydrophobicContact CD1-CG 4.42Å; F503-Q507 HydrophobicContact CD2-CG 4.46Å; F503-Q507 HydrophobicContact CE1-CG 3.93Å; F503-Q507 HydrophobicContact CE2-CG 3.97Å; F503-Q507 HydrophobicContact CZ-CG 3.67Å; F503-Q507 WeakPolarHBondContact O-CG 3.33Å; F503-Q507 PolarHBondContact O-N 3.32Å; I504-Q507 PolarHBondContact O-N 3.15Å; A505-Q507 VanDerWaalsContact C-N 3.33Å; Q507-I509 VanDerWaalsContact C-N 3.33Å; Q507-I509 HydrophobicContact CB-CD1 3.61Å; Q507-I509 HydrophobicContact CB-CG1 3.51Å; Q507-I509 HydrophobicContact CG-CD1 4.26Å; Q507-I509 PolarHBondContact O-N 3.41Å
508	Q	93.6	Very high	97.1	Very high	158 Å²	158	55.2 Å²	55.2	74%	0.738	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	49.1	179	-63.8	-70.4	-63.1	0	0	113.3	A505 Q506 D510	A505-Q508 PolarHBondContact O-N 2.96Å; A505-Q508 PolarHBondContact O-NE2 3.47Å; Q506-Q508 VanDerWaalsContact C-N 3.28Å; Q506-Q508 PolarHBondContact O-N 3.08Å; Q508-D510 PolarHBondContact O-N 3.26Å
509	I	94.5	Very high	97.1	Very high	27 Å²	27	52.1 Å²	52.1	14%	0.138	28%	0.28	C	S	.	.			trans	-80.6	105.6	-170.2	-56.2	156.2	0	0	0	110.9	Y468 I504 Q507 G511 L512 N600	Y468-I509 HydrophobicContact CD2-CD1 4.28Å; Y468-I509 HydrophobicContact CE1-CD1 4.38Å; Y468-I509 HydrophobicContact CE2-CD1 3.52Å; Y468-I509 HydrophobicContact CE2-CG1 4.27Å; I504-I509 HydrophobicContact CD1-CD1 4.22Å; Q507-I509 VanDerWaalsContact C-N 3.33Å; Q507-I509 HydrophobicContact CB-CD1 3.61Å; Q507-I509 HydrophobicContact CB-CG1 3.51Å; Q507-I509 HydrophobicContact CG-CD1 4.26Å; Q507-I509 PolarHBondContact O-N 3.41Å; I509-G511 PolarHBondContact O-N 2.75Å; I509-L512 HydrophobicContact CB-CB 4.11Å; I509-L512 HydrophobicContact CB-CD2 4.46Å; I509-L512 HydrophobicContact CD1-CD1 4.44Å; I509-L512 HydrophobicContact CD1-CD2 4.18Å; I509-L512 HydrophobicContact CG2-CB 3.93Å; I509-L512 HydrophobicContact CG2-CD1 4.15Å; I509-L512 PolarHBondContact O-N 3.41Å; I509-N600 HydrophobicContact CG2-CB 3.45Å; I509-N600 VanDerWaalsContact CG2-CB 3.45Å
510	D	93	Very high	97.1	Very high	141 Å²	141	55.2 Å²	55.2	75%	0.754	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	134.8	173.4	-76.6	-41.8	0	0	0	112.3	Q508 L512 N600	Q508-D510 PolarHBondContact O-N 3.26Å; D510-L512 PolarHBondContact O-N 3.05Å; D510-L512 VanDerWaalsContact O-N 3.17Å; D510-N600 PolarHBondContact O-ND2 3.31Å
511	G	93.9	Very high	97.1	Very high	71 Å²	71	55.5 Å²	55.5	73%	0.732	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	15.7	174.2	0	0	0	0	0	115.7	I509 R513	I509-G511 PolarHBondContact O-N 2.75Å; G511-R513 PolarHBondContact O-N 3.47Å
512	L	97.2	Very high	97.1	Very high	15 Å²	15	54.6 Å²	54.6	8%	0.079	28%	0.283	C	S	.	.			trans	-55.7	128.6	-178.4	-179.1	65.7	0	0	0	112.5	I504 I509 D510 A531 P532 N600 L602	I504-L512 HydrophobicContact CG2-CD2 3.42Å; I504-L512 VanDerWaalsContact CG2-CD2 3.42Å; I509-L512 HydrophobicContact CB-CB 4.11Å; I509-L512 HydrophobicContact CB-CD2 4.46Å; I509-L512 HydrophobicContact CD1-CD1 4.44Å; I509-L512 HydrophobicContact CD1-CD2 4.18Å; I509-L512 HydrophobicContact CG2-CB 3.93Å; I509-L512 HydrophobicContact CG2-CD1 4.15Å; I509-L512 PolarHBondContact O-N 3.41Å; D510-L512 PolarHBondContact O-N 3.05Å; D510-L512 VanDerWaalsContact O-N 3.17Å; L512-A531 HydrophobicContact CB-CB 4.46Å; L512-A531 HydrophobicContact CD2-CB 4.21Å; L512-A531 HydrophobicContact CG-CB 4.26Å; L512-P532 WeakPolarHBondContact O-CD 3.2Å; L512-N600 WeakPolarHBondContact CA-O 3.39Å; L512-N600 HydrophobicContact CD1-CB 4.43Å; L512-L602 HydrophobicContact CD1-CB 4.07Å
513	R	98	Very high	97.1	Very high	83 Å²	83	52.7 Å²	52.7	31%	0.313	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	152.5	161.2	-59.8	-175.1	-171.1	-107.7	-1	111.1	G511 E534 N600 V601 L602	G511-R513 PolarHBondContact O-N 3.47Å; R513-E534 IonicContact CZ-OE1 2.76Å; R513-E534 IonicContact NH1-OE1 2.77Å; R513-E534 PolarHBondContact NH1-OE1 3.11Å; R513-N600 PolarHBondContact N-O 2.82Å; R513-V601 HydrophobicContact CB-CG2 4.48Å; R513-V601 CarbonylContact O-C 3.52Å; R513-V601 WeakPolarHBondContact O-CA 3.37Å; R513-L602 PolarHBondContact O-N 3.26Å
514	V	98.6	Very high	97.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.3	173.9	178.3	0	0	0	0	109.5	V526 V529 A531 P532 Q533 E534 L602	V514-V526 HydrophobicContact CG1-CB 3.96Å; V514-V526 HydrophobicContact CG1-CG1 3.73Å; V514-V526 HydrophobicContact CG1-CG2 4.25Å; V514-V529 HydrophobicContact CG2-CG1 3.76Å; V514-A531 HydrophobicContact CG2-CB 3.72Å; V514-P532 PolarHBondContact N-O 3.17Å; V514-Q533 HydrophobicContact CB-CG 4.21Å; V514-Q533 HydrophobicContact CG1-CG 4.46Å; V514-Q533 CarbonylContact O-C 3.55Å; V514-Q533 VanDerWaalsContact O-CA 3.29Å; V514-Q533 WeakPolarHBondContact O-CA 3.38Å; V514-E534 PolarHBondContact O-N 2.95Å; V514-L602 CarbonylContact C-O 3.46Å; V514-L602 WeakPolarHBondContact CA-O 3.31Å; V514-L602 HydrophobicContact CG1-CD2 4.42Å; V514-L602 HydrophobicContact CG2-CB 4.33Å; V514-L602 HydrophobicContact CG2-CD2 4.21Å
515	W	98.8	Very high	97.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	138.9	177.2	-66.4	-7.6	0	0	0	111.3	E534 W536 L539 V591 E594 L595 Q598 V601 L602 V603 V604	W515-E534 WeakPolarHBondContact CA-O 3.42Å; W515-E534 PolarHBondContact NE1-OE2 2.95Å; W515-W536 AromaticContact CD1-NE1 3.71Å; W515-W536 AromaticContact CD2-NE1 3.7Å; W515-W536 AromaticContact CE2-NE1 3.77Å; W515-W536 AromaticContact CG-CD1 3.93Å; W515-W536 AromaticContact CG-NE1 3.73Å; W515-W536 HydrophobicContact CH2-CZ2 4.44Å; W515-W536 HydrophobicContact CZ2-CZ2 4.17Å; W515-W536 AromaticContact NE1-NE1 3.67Å; W515-L539 HydrophobicContact CB-CD1 3.87Å; W515-V591 HydrophobicContact CE3-CG1 4.19Å; W515-V591 HydrophobicContact CZ3-CG1 3.85Å; W515-E594 HydrophobicContact CH2-CB 3.55Å; W515-E594 HydrophobicContact CH2-CG 3.34Å; W515-E594 HydrophobicContact CZ2-CB 4.17Å; W515-E594 HydrophobicContact CZ2-CG 3.41Å; W515-E594 VanDerWaalsContact CZ2-CG 3.41Å; W515-E594 HydrophobicContact CZ3-CB 4.39Å; W515-E594 HydrophobicContact CZ3-CG 4.49Å; W515-L595 HydrophobicContact CE3-CD2 4.04Å; W515-L595 HydrophobicContact CH2-CD2 3.76Å; W515-L595 HydrophobicContact CH2-CG 4.05Å; W515-L595 HydrophobicContact CZ3-CD2 3.4Å; W515-L595 HydrophobicContact CZ3-CG 3.6Å; W515-Q598 HydrophobicContact CZ2-CG 4.14Å; W515-V601 HydrophobicContact CD2-CG1 3.78Å; W515-V601 HydrophobicContact CE3-CG1 4.1Å; W515-V601 HydrophobicContact CG-CG1 4.08Å; W515-V601 HydrophobicContact CZ2-CG1 4.31Å; W515-V601 HydrophobicContact CZ3-CG1 4.49Å; W515-L602 PolarHBondContact N-O 3.45Å; W515-V603 HydrophobicContact CE3-CG2 4.08Å; W515-V604 PolarHBondContact O-N 3.16Å
516	T	98.8	Very high	97.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	159.2	178.3	42.4	0	0	0	0	111.6	A522 V526 E534 R535 W536 V604	T516-A522 HydrophobicContact CG2-CB 4.44Å; T516-V526 HydrophobicContact CG2-CB 4.4Å; T516-V526 HydrophobicContact CG2-CG1 4.04Å; T516-V526 HydrophobicContact CG2-CG2 3.45Å; T516-V526 VanDerWaalsContact CG2-CG2 3.45Å; T516-E534 PolarHBondContact N-O 2.91Å; T516-E534 PolarHBondContact OG1-O 2.82Å; T516-R535 WeakPolarHBondContact OG1-CG 3.35Å; T516-W536 PolarHBondContact O-N 3.06Å; T516-V604 WeakPolarHBondContact CA-O 3.41Å; T516-V604 HydrophobicContact CG2-CB 4.27Å
517	S	98.6	Very high	97.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.247	C	C	.	.			trans	-71.4	178.2	159.4	78.8	0	0	0	0	111.6	M519 A522 L539 H606	S517-M519 VanDerWaalsContact C-N 3.31Å; S517-M519 PolarHBondContact OG-N 2.87Å; S517-M519 VanDerWaalsContact OG-N 3.15Å; S517-A522 VanDerWaalsContact OG-CB 3.29Å; S517-A522 WeakPolarHBondContact OG-CB 3.29Å; S517-L539 VanDerWaalsContact CB-C 3.44Å; S517-L539 WeakPolarHBondContact CB-O 3.45Å; S517-H606 VanDerWaalsContact CB-NE2 3.33Å; S517-H606 WeakPolarHBondContact CB-NE2 3.23Å; S517-H606 PolarHBondContact OG-NE2 3.26Å
518	W	98.2	Very high	97.5	Very high	149 Å²	149	48.4 Å²	48.4	56%	0.564	26%	0.255	S	S	*	.	S	Bend	trans	-85.4	0.6	171.4	-83.1	67.8	0	0	0	114	R535 N540	W518-R535 HydrophobicContact CZ2-CB 4.35Å; W518-R535 PolarHBondContact NE1-O 3.26Å; W518-N540 PolarHBondContact N-OD1 3.01Å
519	M	98.4	Very high	97.7	Very high	25 Å²	25	41.1 Å²	41.1	12%	0.123	22%	0.221	C	C	.	.	S	Bend	trans	-83.7	138.6	-177.9	-67.1	169.7	164.8	0	0	111.8	D486 S517 R521 A522 I523 N540 E541 H606	D486-M519 WeakPolarHBondContact OD1-CA 3.45Å; D486-M519 WeakPolarHBondContact OD1-CB 3.4Å; S517-M519 VanDerWaalsContact C-N 3.31Å; S517-M519 PolarHBondContact OG-N 2.87Å; S517-M519 VanDerWaalsContact OG-N 3.15Å; M519-R521 VanDerWaalsContact C-N 3.34Å; M519-R521 PolarHBondContact O-N 3.49Å; M519-R521 PolarHBondContact SD-NH2 2.88Å; M519-A522 PolarHBondContact O-N 3.05Å; M519-I523 PolarHBondContact O-N 3.11Å; M519-N540 HydrophobicContact CE-CB 4.15Å; M519-N540 HydrophobicContact SD-CB 4.48Å; M519-E541 HydrophobicContact CE-CB 4.17Å; M519-E541 HydrophobicContact SD-CB 4.04Å; M519-H606 PolarHBondContact SD-CE1 3.34Å; M519-H606 PolarHBondContact SD-NE2 3.16Å; M519-H606 VanDerWaalsContact SD-NE2 3.41Å
520	K	98.6	Very high	97.7	Very high	89 Å²	89	49.8 Å²	49.8	39%	0.387	26%	0.258	S	S	.	.	H	α-helix	trans	-48.6	-51	-172.4	-67.8	-176.3	-161	73.6	0	112.6	D486 N488 A522 I523 Q524	D486-K520 VanDerWaalsContact CG-NZ 3.34Å; D486-K520 PolarHBondContact O-NZ 3.41Å; D486-K520 PolarHBondContact OD1-N 2.82Å; D486-K520 IonicContact OD2-NZ 3.53Å; D486-K520 PolarHBondContact OD2-NZ 2.93Å; N488-K520 WeakPolarHBondContact OD1-CD 3.32Å; K520-A522 VanDerWaalsContact C-N 3.3Å; K520-A522 PolarHBondContact O-N 3.43Å; K520-I523 PolarHBondContact O-N 3.39Å; K520-I523 VanDerWaalsContact O-N 3.12Å; K520-Q524 WeakPolarHBondContact O-CB 3.16Å; K520-Q524 VanDerWaalsContact O-CG 3.28Å; K520-Q524 WeakPolarHBondContact O-CG 3.43Å; K520-Q524 PolarHBondContact O-N 3.44Å
521	R	98.6	Very high	97.9	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-54.2	-38.7	-179.9	57.5	-167.5	-176.4	-86.5	10.4	114.2	H472 G484 G485 L489 M519 T525	H472-R521 HydrophobicContact CB-CB 4.05Å; H472-R521 HydrophobicContact CB-CG 4.08Å; H472-R521 WeakPolarHBondContact CB-O 3Å; H472-R521 VanDerWaalsContact CE1-CD 3.47Å; H472-R521 WeakPolarHBondContact CE1-CD 3.16Å; H472-R521 PolarHBondContact NE2-NE 3.32Å; H472-R521 VanDerWaalsContact NE2-NE 3.19Å; G484-R521 PolarHBondContact O-NH2 3.12Å; G485-R521 PolarHBondContact O-NH1 3.29Å; G485-R521 PolarHBondContact O-NH2 3.44Å; L489-R521 HydrophobicContact CD2-CB 3.93Å; M519-R521 VanDerWaalsContact C-N 3.34Å; M519-R521 PolarHBondContact O-N 3.49Å; M519-R521 PolarHBondContact SD-NH2 2.88Å; R521-T525 WeakPolarHBondContact O-CB 3.15Å; R521-T525 PolarHBondContact O-N 3.17Å; R521-T525 VanDerWaalsContact O-N 3.14Å; R521-T525 PolarHBondContact O-OG1 3.44Å
522	A	98.6	Very high	98.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-71.4	-44.1	177	0	0	0	0	0	111.6	T516 S517 M519 K520 T525 V604	T516-A522 HydrophobicContact CG2-CB 4.44Å; S517-A522 VanDerWaalsContact OG-CB 3.29Å; S517-A522 WeakPolarHBondContact OG-CB 3.29Å; M519-A522 PolarHBondContact O-N 3.05Å; K520-A522 VanDerWaalsContact C-N 3.3Å; K520-A522 PolarHBondContact O-N 3.43Å; A522-T525 PolarHBondContact O-N 2.86Å; A522-V604 HydrophobicContact CB-CG1 4.5Å
523	I	98.8	Very high	98.1	Very high	37 Å²	37	47.6 Å²	47.6	19%	0.19	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-43.4	177.9	-61.2	168.6	0	0	0	111.1	M519 K520 T525 V526 A527	M519-I523 PolarHBondContact O-N 3.11Å; K520-I523 PolarHBondContact O-N 3.39Å; K520-I523 VanDerWaalsContact O-N 3.12Å; I523-T525 VanDerWaalsContact C-N 3.31Å; I523-T525 PolarHBondContact O-N 3.25Å; I523-V526 WeakPolarHBondContact O-CG2 3.38Å; I523-V526 PolarHBondContact O-N 3.25Å; I523-A527 PolarHBondContact O-N 3.45Å
524	Q	98.8	Very high	98.1	Very high	51 Å²	51	46.1 Å²	46.1	24%	0.238	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-34.1	176.3	-73.2	164	-15.8	0	0	112.2	N488 L489 K520 V526 A527	N488-Q524 PolarHBondContact OD1-NE2 3.49Å; L489-Q524 HydrophobicContact CD1-CB 3.57Å; L489-Q524 HydrophobicContact CG-CB 3.84Å; K520-Q524 WeakPolarHBondContact O-CB 3.16Å; K520-Q524 VanDerWaalsContact O-CG 3.28Å; K520-Q524 WeakPolarHBondContact O-CG 3.43Å; K520-Q524 PolarHBondContact O-N 3.44Å; Q524-V526 PolarHBondContact O-N 2.83Å; Q524-A527 PolarHBondContact O-N 3.02Å
525	T	98.8	Very high	98.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-66.4	-24.8	-179.5	-60.6	0	0	0	0	112.8	H472 G473 Y496 L500 R521 A522 I523 V604	H472-T525 VanDerWaalsContact CA-OG1 3.29Å; H472-T525 WeakPolarHBondContact CA-OG1 3.5Å; G473-T525 PolarHBondContact N-OG1 3.25Å; Y496-T525 HydrophobicContact CD1-CG2 4.1Å; Y496-T525 HydrophobicContact CE1-CG2 3.98Å; L500-T525 HydrophobicContact CD2-CG2 3.76Å; R521-T525 WeakPolarHBondContact O-CB 3.15Å; R521-T525 PolarHBondContact O-N 3.17Å; R521-T525 VanDerWaalsContact O-N 3.14Å; R521-T525 PolarHBondContact O-OG1 3.44Å; A522-T525 PolarHBondContact O-N 2.86Å; I523-T525 VanDerWaalsContact C-N 3.31Å; I523-T525 PolarHBondContact O-N 3.25Å; T525-V604 HydrophobicContact CG2-CG1 3.82Å
526	V	98.4	Very high	98.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	5.9	-177.8	-58.1	0	0	0	0	114.1	V514 T516 I523 Q524 D528 V529 Q533 V604	V514-V526 HydrophobicContact CG1-CB 3.96Å; V514-V526 HydrophobicContact CG1-CG1 3.73Å; V514-V526 HydrophobicContact CG1-CG2 4.25Å; T516-V526 HydrophobicContact CG2-CB 4.4Å; T516-V526 HydrophobicContact CG2-CG1 4.04Å; T516-V526 HydrophobicContact CG2-CG2 3.45Å; T516-V526 VanDerWaalsContact CG2-CG2 3.45Å; I523-V526 WeakPolarHBondContact O-CG2 3.38Å; I523-V526 PolarHBondContact O-N 3.25Å; Q524-V526 PolarHBondContact O-N 2.83Å; V526-D528 PolarHBondContact O-N 3.08Å; V526-D528 VanDerWaalsContact O-N 3.1Å; V526-V529 HydrophobicContact CB-CB 4.31Å; V526-V529 HydrophobicContact CB-CG2 4.07Å; V526-V529 HydrophobicContact CG1-CG2 4.44Å; V526-V529 WeakPolarHBondContact O-CB 3.44Å; V526-V529 PolarHBondContact O-N 3.22Å; V526-Q533 PolarHBondContact O-NE2 3.28Å; V526-V604 HydrophobicContact CG1-CB 3.83Å; V526-V604 HydrophobicContact CG1-CG1 4.2Å; V526-V604 HydrophobicContact CG1-CG2 3.37Å
527	A	97.8	Very high	98	Very high	66 Å²	66	62.8 Å²	62.8	55%	0.545	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-41.7	-171.1	0	0	0	0	0	113.1	I523 Q524	I523-A527 PolarHBondContact O-N 3.45Å; Q524-A527 PolarHBondContact O-N 3.02Å
528	D	97.6	Very high	98	Very high	96 Å²	96	63.8 Å²	63.8	51%	0.513	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	6	-179.3	-60.7	-79.1	0	0	0	114.4	S501 V526 K530	S501-D528 PolarHBondContact OG-O 2.95Å; V526-D528 PolarHBondContact O-N 3.08Å; V526-D528 VanDerWaalsContact O-N 3.1Å; D528-K530 PolarHBondContact O-N 3.49Å
529	V	97.5	Very high	98	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.03	28%	0.28	C	S	.	.			trans	-81.1	110.3	-179.9	-177	0	0	0	0	110	I504 V514 V526 A531 Q533 L602	I504-V529 HydrophobicContact CG2-CG1 4.02Å; V514-V529 HydrophobicContact CG2-CG1 3.76Å; V526-V529 HydrophobicContact CB-CB 4.31Å; V526-V529 HydrophobicContact CB-CG2 4.07Å; V526-V529 HydrophobicContact CG1-CG2 4.44Å; V526-V529 WeakPolarHBondContact O-CB 3.44Å; V526-V529 PolarHBondContact O-N 3.22Å; V529-A531 VanDerWaalsContact C-N 3.3Å; V529-A531 PolarHBondContact O-N 2.79Å; V529-Q533 PolarHBondContact O-NE2 3.09Å; V529-L602 HydrophobicContact CG1-CD2 4.43Å
530	K	95.6	Very high	98	Very high	209 Å²	209	57 Å²	57	91%	0.909	28%	0.282	S	S	*	.			trans	-78.7	67.9	-173.4	-62	-178.3	-177.8	177.3	0	113.4	D528	D528-K530 PolarHBondContact O-N 3.49Å
531	A	96.4	Very high	98	Very high	22 Å²	22	54.1 Å²	54.1	18%	0.182	27%	0.27	C	S	.	.	S	Bend	trans	-149.4	160.5	174.9	0	0	0	0	0	110.4	L512 V514 V529 Q533	L512-A531 HydrophobicContact CB-CB 4.46Å; L512-A531 HydrophobicContact CD2-CB 4.21Å; L512-A531 HydrophobicContact CG-CB 4.26Å; V514-A531 HydrophobicContact CG2-CB 3.72Å; V529-A531 VanDerWaalsContact C-N 3.3Å; V529-A531 PolarHBondContact O-N 2.79Å; A531-Q533 WeakPolarHBondContact O-CG 3.39Å; A531-Q533 PolarHBondContact O-N 3.23Å
532	P	97.6	Very high	98	Very high	86 Å²	86	54.6 Å²	54.6	56%	0.558	27%	0.273	S	S	*	.			trans	-55.6	125.3	174.4	-26	35.6	0	0	0	112	L512 V514	L512-P532 WeakPolarHBondContact O-CD 3.2Å; V514-P532 PolarHBondContact N-O 3.17Å
533	Q	97.9	Very high	98	Very high	73 Å²	73	58.2 Å²	58.2	34%	0.341	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129	-174.7	-49.9	-162.8	-1.6	0	0	112	V514 V526 V529 A531	V514-Q533 HydrophobicContact CB-CG 4.21Å; V514-Q533 HydrophobicContact CG1-CG 4.46Å; V514-Q533 CarbonylContact O-C 3.55Å; V514-Q533 VanDerWaalsContact O-CA 3.29Å; V514-Q533 WeakPolarHBondContact O-CA 3.38Å; V526-Q533 PolarHBondContact O-NE2 3.28Å; V529-Q533 PolarHBondContact O-NE2 3.09Å; A531-Q533 WeakPolarHBondContact O-CG 3.39Å; A531-Q533 PolarHBondContact O-N 3.23Å
534	E	98.1	Very high	98	Very high	52 Å²	52	56.5 Å²	56.5	24%	0.243	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.5	-179.4	-56.6	167.9	-165.6	0	0	110.1	R513 V514 W515 T516	R513-E534 IonicContact CZ-OE1 2.76Å; R513-E534 IonicContact NH1-OE1 2.77Å; R513-E534 PolarHBondContact NH1-OE1 3.11Å; V514-E534 PolarHBondContact O-N 2.95Å; W515-E534 WeakPolarHBondContact CA-O 3.42Å; W515-E534 PolarHBondContact NE1-OE2 2.95Å; T516-E534 PolarHBondContact N-O 2.91Å; T516-E534 PolarHBondContact OG1-O 2.82Å
535	R	98.3	Very high	97.9	Very high	130 Å²	130	54.9 Å²	54.9	49%	0.491	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	107.5	-174.7	-65.8	-176.4	-175.1	163.9	5	111.8	T516 W518	T516-R535 WeakPolarHBondContact OG1-CG 3.35Å; W518-R535 HydrophobicContact CZ2-CB 4.35Å; W518-R535 PolarHBondContact NE1-O 3.26Å
536	W	98.4	Very high	97.8	Very high	62 Å²	62	59.3 Å²	59.3	24%	0.235	30%	0.301	C	S	.	.			trans	-102.5	115	-175.1	-67.7	72.9	0	0	0	110.3	W515 T516 A538 L539 V591 E594	W515-W536 AromaticContact CD1-NE1 3.71Å; W515-W536 AromaticContact CD2-NE1 3.7Å; W515-W536 AromaticContact CE2-NE1 3.77Å; W515-W536 AromaticContact CG-CD1 3.93Å; W515-W536 AromaticContact CG-NE1 3.73Å; W515-W536 HydrophobicContact CH2-CZ2 4.44Å; W515-W536 HydrophobicContact CZ2-CZ2 4.17Å; W515-W536 AromaticContact NE1-NE1 3.67Å; T516-W536 PolarHBondContact O-N 3.06Å; W536-A538 PolarHBondContact O-N 2.88Å; W536-L539 HydrophobicContact CB-CB 4.18Å; W536-L539 HydrophobicContact CB-CD1 3.96Å; W536-L539 HydrophobicContact CB-CG 3.9Å; W536-L539 HydrophobicContact CG-CD1 4.37Å; W536-L539 WeakPolarHBondContact O-CB 3.3Å; W536-L539 PolarHBondContact O-N 3.21Å; W536-V591 HydrophobicContact CE3-CG2 4.04Å; W536-V591 HydrophobicContact CZ3-CG2 4.5Å; W536-E594 HydrophobicContact CH2-CB 3.95Å; W536-E594 HydrophobicContact CH2-CG 3.94Å; W536-E594 HydrophobicContact CZ2-CB 4.41Å; W536-E594 HydrophobicContact CZ2-CG 3.98Å
537	K	97.9	Very high	97.7	Very high	158 Å²	158	59.3 Å²	59.3	69%	0.687	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-62.3	-27.2	174.9	-171.5	176.5	178	-177.6	0	111.8	L539 N540	K537-L539 PolarHBondContact O-N 3.39Å; K537-N540 WeakPolarHBondContact O-CB 3.44Å; K537-N540 PolarHBondContact O-N 3.05Å
538	A	98	Very high	97.7	Very high	21 Å²	21	58.8 Å²	58.8	17%	0.174	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-61.8	-20.4	171.2	0	0	0	0	0	114	W536 R587 L588 V591	W536-A538 PolarHBondContact O-N 2.88Å; A538-R587 HydrophobicContact CB-CG 4.19Å; A538-R587 PolarHBondContact O-NH1 3.02Å; A538-L588 WeakPolarHBondContact O-CD2 3.31Å; A538-V591 HydrophobicContact CB-CG2 3.75Å
539	L	98.8	Very high	97.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-89.1	2.6	175.6	-74.1	179.1	0	0	0	114.2	W515 S517 W536 K537 L588 V591 V603 S605 H606 V609 L613	W515-L539 HydrophobicContact CB-CD1 3.87Å; S517-L539 VanDerWaalsContact CB-C 3.44Å; S517-L539 WeakPolarHBondContact CB-O 3.45Å; W536-L539 HydrophobicContact CB-CB 4.18Å; W536-L539 HydrophobicContact CB-CD1 3.96Å; W536-L539 HydrophobicContact CB-CG 3.9Å; W536-L539 HydrophobicContact CG-CD1 4.37Å; W536-L539 WeakPolarHBondContact O-CB 3.3Å; W536-L539 PolarHBondContact O-N 3.21Å; K537-L539 PolarHBondContact O-N 3.39Å; L539-L588 HydrophobicContact CD2-CD2 4.11Å; L539-V591 HydrophobicContact CD2-CG1 3.96Å; L539-V591 HydrophobicContact CD2-CG2 4.49Å; L539-V591 HydrophobicContact CG-CG1 4.48Å; L539-V603 HydrophobicContact CD1-CG1 3.77Å; L539-V603 HydrophobicContact CD2-CG1 3.85Å; L539-S605 PolarHBondContact O-OG 3.19Å; L539-H606 PolarHBondContact O-CD2 2.71Å; L539-H606 VanDerWaalsContact O-CD2 3.31Å; L539-V609 HydrophobicContact CD2-CG1 3.75Å; L539-L613 HydrophobicContact CD2-CD1 4.17Å
540	N	98.8	Very high	97.8	Very high	32 Å²	32	60.3 Å²	60.3	17%	0.171	29%	0.292	C	S	.	.	S	Bend	trans	-60.9	149	171.9	-76.2	19.5	0	0	0	111.1	W518 M519 K537 R587 V609	W518-N540 PolarHBondContact N-OD1 3.01Å; M519-N540 HydrophobicContact CE-CB 4.15Å; M519-N540 HydrophobicContact SD-CB 4.48Å; K537-N540 WeakPolarHBondContact O-CB 3.44Å; K537-N540 PolarHBondContact O-N 3.05Å; N540-R587 PolarHBondContact O-NH1 3.2Å; N540-R587 PolarHBondContact O-NH2 3.47Å; N540-V609 WeakPolarHBondContact O-CG2 3.41Å
541	E	98.6	Very high	97.9	Very high	28 Å²	28	51.3 Å²	51.3	13%	0.131	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-54.7	162.5	174.8	-171	58	-52.2	0	0	111.9	M519 D543 R587 H606 Q607 A608 V609	M519-E541 HydrophobicContact CE-CB 4.17Å; M519-E541 HydrophobicContact SD-CB 4.04Å; E541-D543 PolarHBondContact O-N 3.49Å; E541-R587 PolarHBondContact O-NH2 3.05Å; E541-H606 HydrophobicContact CB-CB 3.62Å; E541-H606 HydrophobicContact CG-CB 3.84Å; E541-H606 PolarHBondContact N-CD2 3.11Å; E541-H606 VanDerWaalsContact N-CD2 3.26Å; E541-H606 VanDerWaalsContact OE1-CB 3.3Å; E541-H606 WeakPolarHBondContact OE1-CB 3.31Å; E541-H606 VanDerWaalsContact OE2-CB 3.32Å; E541-H606 WeakPolarHBondContact OE2-CB 3.42Å; E541-Q607 PolarHBondContact OE2-N 2.94Å; E541-A608 WeakPolarHBondContact OE1-CA 3.08Å; E541-A608 WeakPolarHBondContact OE1-CB 3.37Å; E541-A608 PolarHBondContact OE1-N 2.93Å; E541-A608 PolarHBondContact OE2-N 3.45Å; E541-V609 PolarHBondContact OE1-N 2.8Å
542	I	98.4	Very high	97.8	Very high	18 Å²	18	52.6 Å²	52.6	9%	0.092	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-55.6	129.9	169.8	-166.8	172.1	0	0	0	110.9	A544 E579 Y581 L584 A608	I542-A544 PolarHBondContact O-N 3.13Å; I542-E579 WeakPolarHBondContact CA-OE2 3.37Å; I542-E579 HydrophobicContact CD1-CB 4.45Å; I542-E579 HydrophobicContact CG1-CB 3.74Å; I542-Y581 HydrophobicContact CD1-CD2 4.2Å; I542-Y581 HydrophobicContact CD1-CE2 4.4Å; I542-L584 HydrophobicContact CB-CD2 4.14Å; I542-A608 HydrophobicContact CB-CB 3.76Å; I542-A608 HydrophobicContact CG2-CB 3.51Å
543	D	98.4	Very high	97.8	Very high	75 Å²	75	54 Å²	54	40%	0.401	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-73.6	116.9	176	-169	-36.7	0	0	0	110	E541 G545 G578 E579	E541-D543 PolarHBondContact O-N 3.49Å; D543-G545 VanDerWaalsContact C-N 3.3Å; D543-G545 WeakPolarHBondContact OD1-CA 3.44Å; D543-G545 PolarHBondContact OD1-N 2.94Å; D543-G578 CarbonylContact O-C 3.54Å; D543-G578 WeakPolarHBondContact O-CA 3.46Å; D543-E579 HydrophobicContact CB-CB 4.39Å; D543-E579 HydrophobicContact CB-CG 4.04Å; D543-E579 PolarHBondContact N-OE2 3.01Å; D543-E579 PolarHBondContact O-N 3.11Å
544	A	97.6	Very high	97.8	Very high	2 Å²	2	53.8 Å²	53.8	2%	0.017	25%	0.253	C	S	.	.			trans	-85.6	2.1	178	0	0	0	0	0	113.7	I483 I542 H546 C547 E548 Y575	I483-A544 HydrophobicContact CD1-CB 3.66Å; I483-A544 HydrophobicContact CG1-CB 4.21Å; I542-A544 PolarHBondContact O-N 3.13Å; A544-H546 PolarHBondContact O-N 3.17Å; A544-C547 HydrophobicContact CB-CB 4.12Å; A544-C547 WeakPolarHBondContact O-CA 3.36Å; A544-C547 WeakPolarHBondContact O-CB 3.49Å; A544-C547 PolarHBondContact O-N 3.19Å; A544-E548 HydrophobicContact CB-CG 4.18Å; A544-E548 WeakPolarHBondContact CB-OE1 3.02Å; A544-E548 PolarHBondContact N-OE1 2.93Å; A544-Y575 HydrophobicContact CB-CD1 4.18Å; A544-Y575 HydrophobicContact CB-CD2 4.29Å; A544-Y575 HydrophobicContact CB-CE1 4.11Å; A544-Y575 HydrophobicContact CB-CE2 4.23Å; A544-Y575 HydrophobicContact CB-CG 4.25Å; A544-Y575 WeakPolarHBondContact O-CB 3.2Å; A544-Y575 WeakPolarHBondContact O-CD1 3.25Å
545	G	97.1	Very high	97.7	Very high	17 Å²	17	51.5 Å²	51.5	18%	0.175	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	55	-121	176.6	0	0	0	0	0	112.9	D543 C547 E548	D543-G545 VanDerWaalsContact C-N 3.3Å; D543-G545 WeakPolarHBondContact OD1-CA 3.44Å; D543-G545 PolarHBondContact OD1-N 2.94Å; G545-C547 PolarHBondContact O-N 3.47Å; G545-C547 VanDerWaalsContact O-N 3.09Å; G545-E548 WeakPolarHBondContact O-CG 3.46Å; G545-E548 PolarHBondContact O-N 3.28Å
546	H	96.8	Very high	97.6	Very high	93 Å²	93	51.5 Å²	51.5	43%	0.431	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-64	-7.1	174.8	-69.6	170.8	0	0	0	115.1	A544 M550 P576 R577	A544-H546 PolarHBondContact O-N 3.17Å; H546-M550 WeakPolarHBondContact O-CE 3.28Å; H546-P576 HydrophobicContact CB-CB 4.33Å; H546-P576 PolarHBondContact N-O 3.15Å; H546-R577 VanDerWaalsContact NE2-CD 3.34Å; H546-R577 WeakPolarHBondContact NE2-CD 3.28Å; H546-R577 PolarHBondContact NE2-NH1 2.75Å
547	C	97.1	Very high	97.6	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.007	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-106.1	5.6	177.5	-64.2	0	0	0	0	113.8	I483 A544 G545 I555 Y575	I483-C547 HydrophobicContact CD1-CB 4.41Å; I483-C547 WeakPolarHBondContact CG1-O 3.03Å; A544-C547 HydrophobicContact CB-CB 4.12Å; A544-C547 WeakPolarHBondContact O-CA 3.36Å; A544-C547 WeakPolarHBondContact O-CB 3.49Å; A544-C547 PolarHBondContact O-N 3.19Å; G545-C547 PolarHBondContact O-N 3.47Å; G545-C547 VanDerWaalsContact O-N 3.09Å; C547-I555 HydrophobicContact CB-CD1 3.83Å; C547-I555 HydrophobicContact CB-CG1 3.98Å; C547-Y575 HydrophobicContact CB-CD1 3.74Å; C547-Y575 HydrophobicContact CB-CE1 3.66Å
548	E	97.6	Very high	97.5	Very high	55 Å²	55	53.6 Å²	53.6	26%	0.257	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	145.1	169.7	-74.6	-72.4	115.2	0	0	111.3	G484 G485 A544 G545 M550	G484-E548 WeakPolarHBondContact CA-OE1 3.38Å; G484-E548 VanDerWaalsContact CA-OE2 3.28Å; G484-E548 WeakPolarHBondContact CA-OE2 3.17Å; G485-E548 PolarHBondContact N-OE2 3.34Å; A544-E548 HydrophobicContact CB-CG 4.18Å; A544-E548 WeakPolarHBondContact CB-OE1 3.02Å; A544-E548 PolarHBondContact N-OE1 2.93Å; G545-E548 WeakPolarHBondContact O-CG 3.46Å; G545-E548 PolarHBondContact O-N 3.28Å; E548-M550 VanDerWaalsContact C-N 3.26Å; E548-M550 PolarHBondContact O-N 3.12Å
549	E	97.7	Very high	97.4	Very high	103 Å²	103	55.8 Å²	55.8	48%	0.481	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	30.9	176.5	-43.6	-161.3	147.3	0	0	114.4	Y477 I483	Y477-E549 HydrophobicContact CE2-CB 4.34Å; Y477-E549 HydrophobicContact CE2-CG 3.9Å; Y477-E549 PolarHBondContact OH-OE1 3.18Å; I483-E549 WeakPolarHBondContact O-CA 3.49Å; I483-E549 PolarHBondContact O-N 3.04Å
550	M	98	Very high	97.3	Very high	30 Å²	30	59.5 Å²	59.5	15%	0.148	29%	0.289	C	S	.	.			trans	-122.7	155.3	175.1	-56.7	-164.4	-161.3	0	0	112.5	L482 I483 H546 E548 Q554 I555 K558 F559	L482-M550 WeakPolarHBondContact CA-O 3.5Å; I483-M550 PolarHBondContact N-O 3.1Å; H546-M550 WeakPolarHBondContact O-CE 3.28Å; E548-M550 VanDerWaalsContact C-N 3.26Å; E548-M550 PolarHBondContact O-N 3.12Å; M550-Q554 HydrophobicContact CB-CB 4.25Å; M550-I555 HydrophobicContact CB-CD1 4.26Å; M550-I555 HydrophobicContact CB-CG1 3.86Å; M550-K558 HydrophobicContact CE-CD 4.42Å; M550-K558 HydrophobicContact SD-CD 3.68Å; M550-K558 PolarHBondContact SD-NZ 2.92Å; M550-F559 HydrophobicContact CE-CE2 4.33Å; M550-F559 HydrophobicContact SD-CE2 4.33Å
551	T	97.9	Very high	97.1	Very high	20 Å²	20	65.9 Å²	65.9	12%	0.123	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-80.7	163.5	167.5	85.6	0	0	0	0	111.2	G481 L482 E553 Q554 I555	G481-T551 WeakPolarHBondContact O-CA 3.46Å; L482-T551 HydrophobicContact CD2-CG2 3.68Å; T551-E553 WeakPolarHBondContact CB-OE2 3.36Å; T551-E553 PolarHBondContact O-N 3.32Å; T551-E553 PolarHBondContact OG1-N 3.02Å; T551-E553 PolarHBondContact OG1-OE2 3.44Å; T551-Q554 PolarHBondContact O-N 3.07Å; T551-Q554 PolarHBondContact OG1-N 3.24Å; T551-I555 VanDerWaalsContact O-CG1 3.3Å; T551-I555 WeakPolarHBondContact O-CG1 3.28Å; T551-I555 PolarHBondContact O-N 3.47Å
552	Y	95.3	Very high	96.9	Very high	49 Å²	49	67.7 Å²	67.7	19%	0.192	33%	0.326	C	S	.	.	H	α-helix	trans	-62.4	-30.4	176	-80.5	-67	0	0	0	113	I483 K556 F563 R566	I483-Y552 HydrophobicContact CG2-CD2 4.35Å; I483-Y552 HydrophobicContact CG2-CE2 3.79Å; Y552-K556 WeakPolarHBondContact O-CB 3.3Å; Y552-K556 PolarHBondContact O-N 3.13Å; Y552-F563 HydrophobicContact CD1-CE2 4.26Å; Y552-F563 VanDerWaalsContact O-CE2 3.26Å; Y552-F563 WeakPolarHBondContact O-CE2 3.49Å; Y552-R566 PolarHBondContact OH-NH2 2.89Å
553	E	96.8	Very high	96.7	Very high	116 Å²	116	68.4 Å²	68.4	54%	0.542	33%	0.329	S	S	.	.	H	α-helix	trans	-69.1	-47.5	176.1	-57.7	63.1	-132.8	0	0	110	T551 I555 K556 E557	T551-E553 WeakPolarHBondContact CB-OE2 3.36Å; T551-E553 PolarHBondContact O-N 3.32Å; T551-E553 PolarHBondContact OG1-N 3.02Å; T551-E553 PolarHBondContact OG1-OE2 3.44Å; E553-I555 VanDerWaalsContact C-N 3.29Å; E553-I555 PolarHBondContact O-N 3.46Å; E553-K556 WeakPolarHBondContact O-CB 3.4Å; E553-K556 PolarHBondContact O-N 2.77Å; E553-K556 VanDerWaalsContact O-N 3.09Å; E553-E557 WeakPolarHBondContact O-CG 3.43Å; E553-E557 PolarHBondContact O-N 2.77Å
554	Q	97.4	Very high	96.5	Very high	67 Å²	67	72 Å²	72	31%	0.313	34%	0.341	S	S	.	.	H	α-helix	trans	-61.8	-36.5	175.9	-66.1	176.8	-1.6	0	0	112.4	M550 T551 E557 K558	M550-Q554 HydrophobicContact CB-CB 4.25Å; T551-Q554 PolarHBondContact O-N 3.07Å; T551-Q554 PolarHBondContact OG1-N 3.24Å; Q554-E557 PolarHBondContact O-N 3.36Å; Q554-K558 VanDerWaalsContact O-CB 3.32Å; Q554-K558 WeakPolarHBondContact O-CB 3.26Å; Q554-K558 WeakPolarHBondContact O-CD 3.44Å; Q554-K558 VanDerWaalsContact O-CG 3.24Å; Q554-K558 WeakPolarHBondContact O-CG 3.41Å; Q554-K558 PolarHBondContact O-N 2.71Å
555	I	97	Very high	96.4	Very high	5 Å²	5	74 Å²	74	3%	0.026	36%	0.358	C	S	.	.	H	α-helix	trans	-67.2	-42.7	173.8	-64.9	162.7	0	0	0	110.2	I483 C547 M550 T551 E553 E557 F559 F563	I483-I555 HydrophobicContact CD1-CD1 3.54Å; I483-I555 HydrophobicContact CG1-CD1 4.18Å; C547-I555 HydrophobicContact CB-CD1 3.83Å; C547-I555 HydrophobicContact CB-CG1 3.98Å; M550-I555 HydrophobicContact CB-CD1 4.26Å; M550-I555 HydrophobicContact CB-CG1 3.86Å; T551-I555 VanDerWaalsContact O-CG1 3.3Å; T551-I555 WeakPolarHBondContact O-CG1 3.28Å; T551-I555 PolarHBondContact O-N 3.47Å; E553-I555 VanDerWaalsContact C-N 3.29Å; E553-I555 PolarHBondContact O-N 3.46Å; I555-E557 VanDerWaalsContact C-N 3.3Å; I555-E557 PolarHBondContact O-N 3.38Å; I555-F559 CarbonylContact O-C 3.25Å; I555-F559 VanDerWaalsContact O-C 3.25Å; I555-F559 VanDerWaalsContact O-CA 3.29Å; I555-F559 WeakPolarHBondContact O-CA 3.4Å; I555-F559 WeakPolarHBondContact O-CB 3.48Å; I555-F559 PolarHBondContact O-N 3.48Å; I555-F563 HydrophobicContact CG2-CD2 4.2Å
556	K	96.1	Very high	96.3	Very high	129 Å²	129	74.1 Å²	74.1	56%	0.561	35%	0.353	S	S	*	.	H	α-helix	trans	-62.6	-34.7	176.4	-173.7	-174.1	171.8	-166.4	0	112.7	Y552 E553 P560 F563	Y552-K556 WeakPolarHBondContact O-CB 3.3Å; Y552-K556 PolarHBondContact O-N 3.13Å; E553-K556 WeakPolarHBondContact O-CB 3.4Å; E553-K556 PolarHBondContact O-N 2.77Å; E553-K556 VanDerWaalsContact O-N 3.09Å; K556-P560 WeakPolarHBondContact O-CA 3.37Å; K556-P560 WeakPolarHBondContact O-CB 3.29Å; K556-F563 HydrophobicContact CB-CD1 4.34Å; K556-F563 HydrophobicContact CB-CD2 3.64Å; K556-F563 HydrophobicContact CB-CE2 3.83Å; K556-F563 HydrophobicContact CB-CG 3.91Å; K556-F563 HydrophobicContact CB-CZ 4.27Å; K556-F563 HydrophobicContact CD-CE1 4.28Å; K556-F563 HydrophobicContact CD-CZ 4.29Å; K556-F563 HydrophobicContact CG-CD1 4.11Å; K556-F563 HydrophobicContact CG-CD2 4.31Å; K556-F563 HydrophobicContact CG-CE1 4.25Å; K556-F563 HydrophobicContact CG-CE2 4.44Å; K556-F563 HydrophobicContact CG-CG 4.14Å; K556-F563 HydrophobicContact CG-CZ 4.41Å
557	E	97.4	Very high	96.1	Very high	152 Å²	152	70.7 Å²	70.7	71%	0.71	34%	0.338	S	S	*	.	H	α-helix	trans	-77.6	-46.1	178.1	-72.5	172.4	179.4	0	0	112.8	E553 Q554 I555	E553-E557 WeakPolarHBondContact O-CG 3.43Å; E553-E557 PolarHBondContact O-N 2.77Å; Q554-E557 PolarHBondContact O-N 3.36Å; I555-E557 VanDerWaalsContact C-N 3.3Å; I555-E557 PolarHBondContact O-N 3.38Å
558	K	96.9	Very high	95.8	Very high	112 Å²	112	75.2 Å²	75.2	49%	0.487	37%	0.365	S	S	.	.	H	α-helix	trans	-80.2	-34.1	-177.2	-64.6	168.1	-171.9	170	0	113.2	M550 Q554	M550-K558 HydrophobicContact CE-CD 4.42Å; M550-K558 HydrophobicContact SD-CD 3.68Å; M550-K558 PolarHBondContact SD-NZ 2.92Å; Q554-K558 VanDerWaalsContact O-CB 3.32Å; Q554-K558 WeakPolarHBondContact O-CB 3.26Å; Q554-K558 WeakPolarHBondContact O-CD 3.44Å; Q554-K558 VanDerWaalsContact O-CG 3.24Å; Q554-K558 WeakPolarHBondContact O-CG 3.41Å; Q554-K558 PolarHBondContact O-N 2.71Å
559	F	96.2	Very high	95.5	Very high	68 Å²	68	75.7 Å²	75.7	30%	0.298	37%	0.369	S	S	.	.			trans	-135.8	60.2	-172.2	-51.9	-66	0	0	0	111.3	M550 I555 E561 E562 F563	M550-F559 HydrophobicContact CE-CE2 4.33Å; M550-F559 HydrophobicContact SD-CE2 4.33Å; I555-F559 CarbonylContact O-C 3.25Å; I555-F559 VanDerWaalsContact O-C 3.25Å; I555-F559 VanDerWaalsContact O-CA 3.29Å; I555-F559 WeakPolarHBondContact O-CA 3.4Å; I555-F559 WeakPolarHBondContact O-CB 3.48Å; I555-F559 PolarHBondContact O-N 3.48Å; F559-E561 VanDerWaalsContact C-N 3.28Å; F559-E561 PolarHBondContact O-N 3.25Å; F559-E562 HydrophobicContact CB-CB 3.91Å; F559-E562 HydrophobicContact CB-CG 3.91Å; F559-E562 PolarHBondContact O-N 3.29Å; F559-F563 PolarHBondContact O-N 2.89Å
560	P	96.3	Very high	95.4	Very high	78 Å²	78	71.2 Å²	71.2	51%	0.506	35%	0.348	S	S	.	.	H	α-helix	trans	-60.8	-33	-174	23	-34.1	0	0	0	113.8	K556 K564	K556-P560 WeakPolarHBondContact O-CA 3.37Å; K556-P560 WeakPolarHBondContact O-CB 3.29Å; P560-K564 WeakPolarHBondContact O-CB 3.36Å; P560-K564 PolarHBondContact O-N 3.29Å; P560-K564 VanDerWaalsContact O-N 3.13Å
561	E	94.5	Very high	95.2	Very high	165 Å²	165	70 Å²	70	77%	0.771	34%	0.342	S	S	*	.	H	α-helix	trans	-70.2	-45.1	177.9	-60.3	-170.2	159.2	0	0	111.6	F559 K564 A565	F559-E561 VanDerWaalsContact C-N 3.28Å; F559-E561 PolarHBondContact O-N 3.25Å; E561-K564 PolarHBondContact O-N 2.8Å; E561-A565 WeakPolarHBondContact O-CB 3.5Å; E561-A565 PolarHBondContact O-N 3.41Å
562	E	94.8	Very high	94.9	Very high	67 Å²	67	70 Å²	70	31%	0.313	34%	0.344	S	S	.	.	H	α-helix	trans	-61.6	-44.1	175.5	-58.9	-64.1	170.5	0	0	111.5	F559 K564 A565 R566 Y573 P576	F559-E562 HydrophobicContact CB-CB 3.91Å; F559-E562 HydrophobicContact CB-CG 3.91Å; F559-E562 PolarHBondContact O-N 3.29Å; E562-K564 VanDerWaalsContact C-N 3.31Å; E562-K564 PolarHBondContact O-N 2.92Å; E562-A565 PolarHBondContact O-N 3.1Å; E562-R566 WeakPolarHBondContact O-CB 3.33Å; E562-R566 PolarHBondContact O-N 3.44Å; E562-Y573 HydrophobicContact CB-CE2 4.39Å; E562-Y573 WeakPolarHBondContact O-CE2 3.28Å; E562-Y573 WeakPolarHBondContact OE2-CE2 3.25Å; E562-Y573 PolarHBondContact OE2-OH 3.36Å; E562-P576 HydrophobicContact CG-CG 4.11Å
563	F	94.5	Very high	94.9	Very high	32 Å²	32	68.7 Å²	68.7	14%	0.14	34%	0.339	C	S	.	.	H	α-helix	trans	-57.6	-44.9	175.2	-172.3	-81.8	0	0	0	111.4	Y552 I555 K556 F559 D567	Y552-F563 HydrophobicContact CD1-CE2 4.26Å; Y552-F563 VanDerWaalsContact O-CE2 3.26Å; Y552-F563 WeakPolarHBondContact O-CE2 3.49Å; I555-F563 HydrophobicContact CG2-CD2 4.2Å; K556-F563 HydrophobicContact CB-CD1 4.34Å; K556-F563 HydrophobicContact CB-CD2 3.64Å; K556-F563 HydrophobicContact CB-CE2 3.83Å; K556-F563 HydrophobicContact CB-CG 3.91Å; K556-F563 HydrophobicContact CB-CZ 4.27Å; K556-F563 HydrophobicContact CD-CE1 4.28Å; K556-F563 HydrophobicContact CD-CZ 4.29Å; K556-F563 HydrophobicContact CG-CD1 4.11Å; K556-F563 HydrophobicContact CG-CD2 4.31Å; K556-F563 HydrophobicContact CG-CE1 4.25Å; K556-F563 HydrophobicContact CG-CE2 4.44Å; K556-F563 HydrophobicContact CG-CG 4.14Å; K556-F563 HydrophobicContact CG-CZ 4.41Å; F559-F563 PolarHBondContact O-N 2.89Å; F563-D567 PolarHBondContact O-N 3.26Å
564	K	94.1	Very high	95	Very high	151 Å²	151	68.2 Å²	68.2	66%	0.657	33%	0.332	S	S	*	.	H	α-helix	trans	-68.2	-42.6	176.9	-175.1	-176.6	176.3	-172.7	0	112.1	P560 E561 E562 R566 D567 V568	P560-K564 WeakPolarHBondContact O-CB 3.36Å; P560-K564 PolarHBondContact O-N 3.29Å; P560-K564 VanDerWaalsContact O-N 3.13Å; E561-K564 PolarHBondContact O-N 2.8Å; E562-K564 VanDerWaalsContact C-N 3.31Å; E562-K564 PolarHBondContact O-N 2.92Å; K564-R566 VanDerWaalsContact C-N 3.33Å; K564-R566 PolarHBondContact O-N 3.26Å; K564-D567 PolarHBondContact O-N 3.14Å; K564-V568 WeakPolarHBondContact O-CG2 3.43Å; K564-V568 PolarHBondContact O-N 2.94Å
565	A	93.9	Very high	95	Very high	45 Å²	45	65.3 Å²	65.3	37%	0.372	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-42.1	178.9	0	0	0	0	0	111.7	E561 E562 D567 V568 N569 Y573	E561-A565 WeakPolarHBondContact O-CB 3.5Å; E561-A565 PolarHBondContact O-N 3.41Å; E562-A565 PolarHBondContact O-N 3.1Å; A565-D567 VanDerWaalsContact C-N 3.34Å; A565-D567 PolarHBondContact O-N 2.75Å; A565-V568 PolarHBondContact O-N 3.35Å; A565-N569 PolarHBondContact O-N 3.43Å; A565-Y573 HydrophobicContact CB-CD2 3.96Å; A565-Y573 HydrophobicContact CB-CE2 4.16Å
566	R	95.3	Very high	94.9	Very high	19 Å²	19	66.6 Å²	66.6	7%	0.072	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-33.7	174.5	-172.8	173.9	179	-96	24	113.5	Y552 E562 K564 K570 Y573 Y575	Y552-R566 PolarHBondContact OH-NH2 2.89Å; E562-R566 WeakPolarHBondContact O-CB 3.33Å; E562-R566 PolarHBondContact O-N 3.44Å; K564-R566 VanDerWaalsContact C-N 3.33Å; K564-R566 PolarHBondContact O-N 3.26Å; R566-K570 HydrophobicContact CG-CG 4.3Å; R566-K570 WeakPolarHBondContact O-CA 3.46Å; R566-K570 WeakPolarHBondContact O-CB 3.47Å; R566-K570 PolarHBondContact O-N 3.06Å; R566-K570 VanDerWaalsContact O-N 3.13Å; R566-Y573 HydrophobicContact CB-CD1 3.59Å; R566-Y573 HydrophobicContact CB-CD2 3.85Å; R566-Y573 HydrophobicContact CB-CE1 3.78Å; R566-Y573 HydrophobicContact CB-CE2 4Å; R566-Y573 HydrophobicContact CB-CG 3.64Å; R566-Y573 HydrophobicContact CG-CD1 3.5Å; R566-Y573 VanDerWaalsContact CG-CD1 3.5Å; R566-Y573 HydrophobicContact CG-CE1 3.84Å; R566-Y573 HydrophobicContact CG-CG 3.94Å; R566-Y575 PolarHBondContact NE-OH 3.45Å; R566-Y575 PolarHBondContact NH2-OH 2.65Å
567	D	92.8	Very high	94.9	Very high	21 Å²	21	70.5 Å²	70.5	11%	0.112	34%	0.338	C	S	.	.	H	α-helix	trans	-71.9	-34	174.7	-87.9	-5.2	0	0	0	112.3	F563 K564 A565 R661 P664	F563-D567 PolarHBondContact O-N 3.26Å; K564-D567 PolarHBondContact O-N 3.14Å; A565-D567 VanDerWaalsContact C-N 3.34Å; A565-D567 PolarHBondContact O-N 2.75Å; D567-R661 IonicContact OD1-CZ 2.84Å; D567-R661 IonicContact OD1-NH1 3.37Å; D567-R661 PolarHBondContact OD1-NH1 3.12Å; D567-R661 IonicContact OD1-NH2 3.44Å; D567-R661 PolarHBondContact OD1-NH2 2.74Å; D567-R661 IonicContact OD2-CZ 3.58Å; D567-R661 IonicContact OD2-NH1 2.96Å; D567-R661 PolarHBondContact OD2-NH1 3.04Å; D567-R661 IonicContact OD2-NH2 3.55Å; D567-R661 PolarHBondContact OD2-NH2 2.79Å; D567-P664 HydrophobicContact CB-CG 3.84Å
568	V	91.3	Very high	94.9	Very high	95 Å²	95	63.9 Å²	63.9	58%	0.576	31%	0.311	S	S	*	.	H	α-helix	trans	-71.3	-45.4	177.1	170.9	0	0	0	0	112.5	K564 A565 I666	K564-V568 WeakPolarHBondContact O-CG2 3.43Å; K564-V568 PolarHBondContact O-N 2.94Å; A565-V568 PolarHBondContact O-N 3.35Å; V568-I666 HydrophobicContact CG2-CD1 4.05Å
569	N	90.4	Very high	94.9	Very high	65 Å²	65	60.1 Å²	60.1	35%	0.348	30%	0.295	S	S	.	.			trans	-139.7	79.5	177.1	-172.1	-25.1	0	0	0	111.4	A565 F571 A572 Y573	A565-N569 PolarHBondContact O-N 3.43Å; N569-F571 PolarHBondContact O-N 2.97Å; N569-F571 PolarHBondContact OD1-N 2.8Å; N569-A572 PolarHBondContact OD1-N 2.84Å; N569-Y573 WeakPolarHBondContact O-CB 3.3Å; N569-Y573 PolarHBondContact O-N 2.87Å
570	K	95.5	Very high	95	Very high	9 Å²	9	56.9 Å²	56.9	4%	0.039	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.8	-176.1	-160.8	179.1	173.9	-164.3	0	114.6	R566 Y581 P626 Y627	R566-K570 HydrophobicContact CG-CG 4.3Å; R566-K570 WeakPolarHBondContact O-CA 3.46Å; R566-K570 WeakPolarHBondContact O-CB 3.47Å; R566-K570 PolarHBondContact O-N 3.06Å; R566-K570 VanDerWaalsContact O-N 3.13Å; K570-Y581 VanDerWaalsContact O-CD2 3.3Å; K570-Y581 WeakPolarHBondContact O-CD2 3.21Å; K570-P626 HydrophobicContact CB-CB 4.02Å; K570-P626 HydrophobicContact CB-CG 4.44Å; K570-P626 HydrophobicContact CD-CB 3.73Å; K570-P626 WeakPolarHBondContact CE-O 3.45Å; K570-P626 HydrophobicContact CG-CB 3.78Å; K570-P626 PolarHBondContact NZ-O 3.2Å; K570-Y627 HydrophobicContact CB-CE2 4.22Å; K570-Y627 HydrophobicContact CD-CD1 4.1Å; K570-Y627 HydrophobicContact CD-CE1 3.38Å; K570-Y627 HydrophobicContact CD-CE2 3.94Å; K570-Y627 WeakPolarHBondContact CD-OH 3.32Å
571	F	93.8	Very high	95	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.018	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-56.3	178.5	-179.5	-97	0	0	0	111.6	F239 P240 N569 Y581 E582 V585 A622 L625 P626	F239-F571 HydrophobicContact CB-CE1 4.27Å; F239-F571 HydrophobicContact CB-CZ 3.84Å; F239-F571 HydrophobicContact CD2-CE2 4Å; F239-F571 AromaticContact CD2-CZ 3.79Å; F239-F571 HydrophobicContact CD2-CZ 3.79Å; F239-F571 HydrophobicContact CE2-CE2 4.41Å; F239-F571 HydrophobicContact CG-CE2 4.39Å; F239-F571 AromaticContact CG-CZ 3.98Å; F239-F571 HydrophobicContact CG-CZ 3.98Å; P240-F571 HydrophobicContact CG-CD1 4.2Å; P240-F571 HydrophobicContact CG-CE1 4.3Å; N569-F571 PolarHBondContact O-N 2.97Å; N569-F571 PolarHBondContact OD1-N 2.8Å; F571-Y581 PolarHBondContact O-N 3.25Å; F571-E582 HydrophobicContact CD1-CB 4.38Å; F571-E582 HydrophobicContact CE1-CB 3.78Å; F571-E582 HydrophobicContact CE1-CG 4.09Å; F571-E582 HydrophobicContact CZ-CB 4.04Å; F571-E582 HydrophobicContact CZ-CG 4.47Å; F571-E582 PolarHBondContact O-N 2.9Å; F571-V585 HydrophobicContact CE2-CG2 4.43Å; F571-A622 HydrophobicContact CD1-CB 3.96Å; F571-A622 HydrophobicContact CD2-CB 3.84Å; F571-A622 WeakPolarHBondContact CD2-O 3.41Å; F571-A622 HydrophobicContact CE1-CB 4.05Å; F571-A622 HydrophobicContact CE2-CB 3.93Å; F571-A622 HydrophobicContact CG-CB 3.86Å; F571-A622 HydrophobicContact CZ-CB 4.05Å; F571-L625 HydrophobicContact CD2-CD2 4.43Å; F571-L625 HydrophobicContact CE2-CD1 4.28Å; F571-P626 HydrophobicContact CB-CG 3.9Å; F571-P626 HydrophobicContact CD2-CG 4.18Å
572	A	92.7	Very high	95	Very high	20 Å²	20	46.4 Å²	46.4	17%	0.165	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-14.3	-175.5	0	0	0	0	0	113.6	N569 R574	N569-A572 PolarHBondContact OD1-N 2.84Å; A572-R574 PolarHBondContact O-N 3Å
573	Y	95.9	Very high	95	Very high	23 Å²	23	43.8 Å²	43.8	9%	0.09	21%	0.213	C	C	.	.			trans	-58.7	122.2	170.5	169.8	-86.1	0	0	0	110.2	E562 A565 R566 N569 Y575 P576 S580	E562-Y573 HydrophobicContact CB-CE2 4.39Å; E562-Y573 WeakPolarHBondContact O-CE2 3.28Å; E562-Y573 WeakPolarHBondContact OE2-CE2 3.25Å; E562-Y573 PolarHBondContact OE2-OH 3.36Å; A565-Y573 HydrophobicContact CB-CD2 3.96Å; A565-Y573 HydrophobicContact CB-CE2 4.16Å; R566-Y573 HydrophobicContact CB-CD1 3.59Å; R566-Y573 HydrophobicContact CB-CD2 3.85Å; R566-Y573 HydrophobicContact CB-CE1 3.78Å; R566-Y573 HydrophobicContact CB-CE2 4Å; R566-Y573 HydrophobicContact CB-CG 3.64Å; R566-Y573 HydrophobicContact CG-CD1 3.5Å; R566-Y573 VanDerWaalsContact CG-CD1 3.5Å; R566-Y573 HydrophobicContact CG-CE1 3.84Å; R566-Y573 HydrophobicContact CG-CG 3.94Å; N569-Y573 WeakPolarHBondContact O-CB 3.3Å; N569-Y573 PolarHBondContact O-N 2.87Å; Y573-Y575 AromaticContact CE1-CD1 3.86Å; Y573-Y575 HydrophobicContact CE1-CD1 3.86Å; Y573-Y575 AromaticContact CE1-CD2 3.89Å; Y573-Y575 HydrophobicContact CE1-CD2 3.89Å; Y573-Y575 HydrophobicContact CE1-CE1 4.17Å; Y573-Y575 HydrophobicContact CE1-CE2 4.2Å; Y573-Y575 AromaticContact CE1-CG 3.73Å; Y573-Y575 HydrophobicContact CE1-CG 3.73Å; Y573-P576 WeakPolarHBondContact OH-CD 3.33Å; Y573-S580 VanDerWaalsContact O-CA 3.25Å; Y573-S580 WeakPolarHBondContact O-CA 3.21Å; Y573-S580 WeakPolarHBondContact O-CB 3.44Å
574	R	97.4	Very high	95.1	Very high	105 Å²	105	42.3 Å²	42.3	40%	0.396	21%	0.206	S	C	.	.			trans	-105.5	127.7	173.8	179.3	177.9	-70.3	108.2	3.8	108.6	A572 G578 D583	A572-R574 PolarHBondContact O-N 3Å; R574-G578 VanDerWaalsContact CG-O 3.31Å; R574-G578 WeakPolarHBondContact CG-O 3.32Å; R574-D583 IonicContact CZ-OD1 3.12Å; R574-D583 IonicContact CZ-OD2 3.38Å; R574-D583 VanDerWaalsContact CZ-OD2 3.31Å; R574-D583 IonicContact NE-OD1 2.67Å; R574-D583 IonicContact NE-OD2 3.95Å; R574-D583 PolarHBondContact NE-OD2 3.33Å; R574-D583 VanDerWaalsContact NH2-CG 3.26Å; R574-D583 IonicContact NH2-OD1 2.71Å; R574-D583 PolarHBondContact NH2-OD1 3.44Å; R574-D583 IonicContact NH2-OD2 2.66Å; R574-D583 PolarHBondContact NH2-OD2 2.76Å; R574-D583 VanDerWaalsContact NH2-OD2 3.12Å
575	Y	97.4	Very high	95.1	Very high	6 Å²	6	35.4 Å²	35.4	2%	0.024	18%	0.177	C	C	.	.			trans	-60.2	147.2	175.6	-82	-85.8	0	0	0	111.9	I483 A544 C547 R566 Y573 R577 G578 E579	I483-Y575 HydrophobicContact CD1-CE1 4.32Å; I483-Y575 WeakPolarHBondContact CD1-OH 3.44Å; A544-Y575 HydrophobicContact CB-CD1 4.18Å; A544-Y575 HydrophobicContact CB-CD2 4.29Å; A544-Y575 HydrophobicContact CB-CE1 4.11Å; A544-Y575 HydrophobicContact CB-CE2 4.23Å; A544-Y575 HydrophobicContact CB-CG 4.25Å; A544-Y575 WeakPolarHBondContact O-CB 3.2Å; A544-Y575 WeakPolarHBondContact O-CD1 3.25Å; C547-Y575 HydrophobicContact CB-CD1 3.74Å; C547-Y575 HydrophobicContact CB-CE1 3.66Å; R566-Y575 PolarHBondContact NE-OH 3.45Å; R566-Y575 PolarHBondContact NH2-OH 2.65Å; Y573-Y575 AromaticContact CE1-CD1 3.86Å; Y573-Y575 HydrophobicContact CE1-CD1 3.86Å; Y573-Y575 AromaticContact CE1-CD2 3.89Å; Y573-Y575 HydrophobicContact CE1-CD2 3.89Å; Y573-Y575 HydrophobicContact CE1-CE1 4.17Å; Y573-Y575 HydrophobicContact CE1-CE2 4.2Å; Y573-Y575 AromaticContact CE1-CG 3.73Å; Y573-Y575 HydrophobicContact CE1-CG 3.73Å; Y575-R577 PolarHBondContact O-N 3.27Å; Y575-G578 PolarHBondContact O-N 3.29Å; Y575-E579 PolarHBondContact N-O 2.94Å
576	P	95.8	Very high	95	Very high	33 Å²	33	36 Å²	36	21%	0.214	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	108.4	173.8	-28.6	35.9	0	0	0	112.2	H546 E562 Y573 G578	H546-P576 HydrophobicContact CB-CB 4.33Å; H546-P576 PolarHBondContact N-O 3.15Å; E562-P576 HydrophobicContact CG-CG 4.11Å; Y573-P576 WeakPolarHBondContact OH-CD 3.33Å; P576-G578 PolarHBondContact O-N 3.19Å
577	R	96.1	Very high	95	Very high	210 Å²	210	37.8 Å²	37.8	79%	0.792	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	16.4	-172.5	-55.6	175.9	67.3	-154.5	-1.2	115.9	H546 Y575	H546-R577 VanDerWaalsContact NE2-CD 3.34Å; H546-R577 WeakPolarHBondContact NE2-CD 3.28Å; H546-R577 PolarHBondContact NE2-NH1 2.75Å; Y575-R577 PolarHBondContact O-N 3.27Å
578	G	97	Very high	95.2	Very high	13 Å²	13	36.8 Å²	36.8	13%	0.134	18%	0.184	C	C	.	.	S	Bend	trans	-114.4	-150	170.5	0	0	0	0	0	111.9	D543 R574 Y575 P576	D543-G578 CarbonylContact O-C 3.54Å; D543-G578 WeakPolarHBondContact O-CA 3.46Å; R574-G578 VanDerWaalsContact CG-O 3.31Å; R574-G578 WeakPolarHBondContact CG-O 3.32Å; Y575-G578 PolarHBondContact O-N 3.29Å; P576-G578 PolarHBondContact O-N 3.19Å
579	E	97.9	Very high	95.4	Very high	34 Å²	34	34 Å²	34	16%	0.159	16%	0.164	C	C	.	.			trans	-111.8	165.2	-174.5	-74	175.2	137.6	0	0	113.3	I542 D543 Y575 D583 R587	I542-E579 WeakPolarHBondContact CA-OE2 3.37Å; I542-E579 HydrophobicContact CD1-CB 4.45Å; I542-E579 HydrophobicContact CG1-CB 3.74Å; D543-E579 HydrophobicContact CB-CB 4.39Å; D543-E579 HydrophobicContact CB-CG 4.04Å; D543-E579 PolarHBondContact N-OE2 3.01Å; D543-E579 PolarHBondContact O-N 3.11Å; Y575-E579 PolarHBondContact N-O 2.94Å; E579-D583 WeakPolarHBondContact CA-OD2 3.21Å; E579-D583 HydrophobicContact CB-CB 4Å; E579-D583 HydrophobicContact CG-CB 4.03Å; E579-R587 IonicContact OE1-CZ 3.15Å; E579-R587 IonicContact OE1-NE 2.7Å; E579-R587 PolarHBondContact OE1-NE 3.17Å; E579-R587 IonicContact OE1-NH2 3.18Å; E579-R587 PolarHBondContact OE1-NH2 3.28Å; E579-R587 IonicContact OE2-CZ 2.68Å; E579-R587 IonicContact OE2-NE 3.51Å; E579-R587 IonicContact OE2-NH2 3.64Å; E579-R587 PolarHBondContact OE2-NH2 3.13Å
580	S	97.4	Very high	95.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.			trans	-106.6	173.5	160.7	63.6	0	0	0	0	111.7	Y573 E582 D583 L584	Y573-S580 VanDerWaalsContact O-CA 3.25Å; Y573-S580 WeakPolarHBondContact O-CA 3.21Å; Y573-S580 WeakPolarHBondContact O-CB 3.44Å; S580-E582 PolarHBondContact O-N 3.19Å; S580-E582 WeakPolarHBondContact OG-CB 3.36Å; S580-E582 PolarHBondContact OG-N 2.85Å; S580-D583 PolarHBondContact N-OD2 3.31Å; S580-D583 PolarHBondContact O-N 2.75Å; S580-D583 PolarHBondContact OG-N 3.03Å; S580-D583 PolarHBondContact OG-OD2 3.01Å; S580-L584 PolarHBondContact O-N 2.93Å; S580-L584 VanDerWaalsContact O-N 3.09Å
581	Y	96.8	Very high	95.7	Very high	9 Å²	9	33.7 Å²	33.7	4%	0.035	17%	0.167	C	C	.	.	H	α-helix	trans	-67.1	-26.3	169	-81.8	-94.3	0	0	0	111.7	I542 K570 F571 L584 V585 A608 R611 L625 P626	I542-Y581 HydrophobicContact CD1-CD2 4.2Å; I542-Y581 HydrophobicContact CD1-CE2 4.4Å; K570-Y581 VanDerWaalsContact O-CD2 3.3Å; K570-Y581 WeakPolarHBondContact O-CD2 3.21Å; F571-Y581 PolarHBondContact O-N 3.25Å; Y581-L584 HydrophobicContact CD1-CD2 4.49Å; Y581-L584 PolarHBondContact O-N 2.87Å; Y581-V585 WeakPolarHBondContact O-CG2 3.45Å; Y581-V585 PolarHBondContact O-N 3.19Å; Y581-A608 HydrophobicContact CD1-CB 4.41Å; Y581-A608 HydrophobicContact CE1-CB 3.61Å; Y581-R611 HydrophobicContact CE1-CB 4.25Å; Y581-R611 PolarHBondContact OH-NH1 2.83Å; Y581-L625 HydrophobicContact CD1-CD2 3.36Å; Y581-L625 HydrophobicContact CE1-CD2 4Å; Y581-L625 HydrophobicContact CG-CD2 4.05Å; Y581-P626 HydrophobicContact CD2-CB 4.03Å; Y581-P626 HydrophobicContact CD2-CG 4.14Å; Y581-P626 HydrophobicContact CE1-CB 4.42Å; Y581-P626 HydrophobicContact CE2-CB 3.9Å; Y581-P626 HydrophobicContact CG-CB 4.36Å; Y581-P626 HydrophobicContact CG-CG 4.14Å
582	E	93.3	Very high	95.8	Very high	13 Å²	13	33.5 Å²	33.5	6%	0.061	17%	0.166	C	C	.	.	H	α-helix	trans	-64.6	-44.9	171.2	-172.6	-160.7	156.3	0	0	111.9	I241 R242 F571 S580 L584 V585 A586	I241-E582 WeakPolarHBondContact CA-OE1 3.42Å; I241-E582 HydrophobicContact CG1-CG 4.2Å; R242-E582 PolarHBondContact N-OE1 3.27Å; F571-E582 HydrophobicContact CD1-CB 4.38Å; F571-E582 HydrophobicContact CE1-CB 3.78Å; F571-E582 HydrophobicContact CE1-CG 4.09Å; F571-E582 HydrophobicContact CZ-CB 4.04Å; F571-E582 HydrophobicContact CZ-CG 4.47Å; F571-E582 PolarHBondContact O-N 2.9Å; S580-E582 PolarHBondContact O-N 3.19Å; S580-E582 WeakPolarHBondContact OG-CB 3.36Å; S580-E582 PolarHBondContact OG-N 2.85Å; E582-L584 VanDerWaalsContact C-N 3.28Å; E582-L584 PolarHBondContact O-N 3.37Å; E582-V585 PolarHBondContact O-N 2.64Å; E582-A586 PolarHBondContact O-N 3.39Å
583	D	95.6	Very high	95.8	Very high	13 Å²	13	32.7 Å²	32.7	7%	0.07	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-41.4	170.7	-68	-51.8	0	0	0	111.4	R245 R574 E579 S580 A586 R587	R245-D583 IonicContact CZ-OD1 3.36Å; R245-D583 IonicContact NH1-OD1 3.31Å; R245-D583 PolarHBondContact NH1-OD1 2.98Å; R245-D583 IonicContact NH2-OD1 2.72Å; R574-D583 IonicContact CZ-OD1 3.12Å; R574-D583 IonicContact CZ-OD2 3.38Å; R574-D583 VanDerWaalsContact CZ-OD2 3.31Å; R574-D583 IonicContact NE-OD1 2.67Å; R574-D583 IonicContact NE-OD2 3.95Å; R574-D583 PolarHBondContact NE-OD2 3.33Å; R574-D583 VanDerWaalsContact NH2-CG 3.26Å; R574-D583 IonicContact NH2-OD1 2.71Å; R574-D583 PolarHBondContact NH2-OD1 3.44Å; R574-D583 IonicContact NH2-OD2 2.66Å; R574-D583 PolarHBondContact NH2-OD2 2.76Å; R574-D583 VanDerWaalsContact NH2-OD2 3.12Å; E579-D583 WeakPolarHBondContact CA-OD2 3.21Å; E579-D583 HydrophobicContact CB-CB 4Å; E579-D583 HydrophobicContact CG-CB 4.03Å; S580-D583 PolarHBondContact N-OD2 3.31Å; S580-D583 PolarHBondContact O-N 2.75Å; S580-D583 PolarHBondContact OG-N 3.03Å; S580-D583 PolarHBondContact OG-OD2 3.01Å; D583-A586 PolarHBondContact O-N 2.98Å; D583-R587 WeakPolarHBondContact O-CB 3.45Å; D583-R587 PolarHBondContact O-N 3.28Å
584	L	96.2	Very high	95.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67.2	-38.3	-176.9	-167.9	59.1	0	0	0	112.3	I542 S580 Y581 E582 R587 L588 A608 V609	I542-L584 HydrophobicContact CB-CD2 4.14Å; S580-L584 PolarHBondContact O-N 2.93Å; S580-L584 VanDerWaalsContact O-N 3.09Å; Y581-L584 HydrophobicContact CD1-CD2 4.49Å; Y581-L584 PolarHBondContact O-N 2.87Å; E582-L584 VanDerWaalsContact C-N 3.28Å; E582-L584 PolarHBondContact O-N 3.37Å; L584-R587 PolarHBondContact O-N 2.93Å; L584-L588 HydrophobicContact CD1-CD1 4.24Å; L584-L588 HydrophobicContact CG-CD1 3.92Å; L584-L588 VanDerWaalsContact O-CB 3.31Å; L584-L588 WeakPolarHBondContact O-CB 3.37Å; L584-L588 WeakPolarHBondContact O-CD1 3.34Å; L584-L588 WeakPolarHBondContact O-CG 3.34Å; L584-L588 PolarHBondContact O-N 3.02Å; L584-A608 HydrophobicContact CD2-CB 3.62Å; L584-V609 HydrophobicContact CD1-CG2 4.12Å; L584-V609 HydrophobicContact CD2-CG2 4.38Å
585	V	94.3	Very high	95.6	Very high	6 Å²	6	27.9 Å²	27.9	4%	0.036	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-51.1	170.1	164	0	0	0	0	110.5	F239 W279 F571 Y581 E582 R587 L588 E589 C612 L625	F239-V585 HydrophobicContact CD2-CG1 4.14Å; F239-V585 HydrophobicContact CD2-CG2 3.97Å; F239-V585 HydrophobicContact CE2-CG1 4.45Å; F239-V585 HydrophobicContact CE2-CG2 3.85Å; W279-V585 HydrophobicContact CD2-CG1 4Å; W279-V585 HydrophobicContact CE3-CG1 4Å; W279-V585 HydrophobicContact CH2-CB 4.44Å; W279-V585 HydrophobicContact CH2-CG1 3.9Å; W279-V585 WeakPolarHBondContact CH2-O 3.06Å; W279-V585 HydrophobicContact CZ2-CB 4.26Å; W279-V585 HydrophobicContact CZ2-CG1 3.92Å; W279-V585 HydrophobicContact CZ2-CG2 4.14Å; W279-V585 HydrophobicContact CZ3-CG1 3.94Å; W279-V585 VanDerWaalsContact O-CG1 3.29Å; W279-V585 WeakPolarHBondContact O-CG1 3.35Å; F571-V585 HydrophobicContact CE2-CG2 4.43Å; Y581-V585 WeakPolarHBondContact O-CG2 3.45Å; Y581-V585 PolarHBondContact O-N 3.19Å; E582-V585 PolarHBondContact O-N 2.64Å; V585-R587 VanDerWaalsContact C-N 3.31Å; V585-R587 PolarHBondContact O-N 3.49Å; V585-L588 PolarHBondContact O-N 2.68Å; V585-E589 PolarHBondContact O-N 3.02Å; V585-E589 VanDerWaalsContact O-N 3.17Å; V585-C612 HydrophobicContact CG2-CB 4.39Å; V585-L625 HydrophobicContact CG2-CD1 4.17Å
586	A	91.5	Very high	95.4	Very high	59 Å²	59	27.6 Å²	27.6	49%	0.488	14%	0.141	S	C	.	.	H	α-helix	trans	-60.9	-38.4	178.3	0	0	0	0	0	112.6	E582 D583 L588	E582-A586 PolarHBondContact O-N 3.39Å; D583-A586 PolarHBondContact O-N 2.98Å; A586-L588 VanDerWaalsContact C-N 3.3Å; A586-L588 PolarHBondContact O-N 3.4Å
587	R	95.9	Very high	95.1	Very high	56 Å²	56	32.1 Å²	32.1	21%	0.211	15%	0.153	C	C	.	.	H	α-helix	trans	-66.8	-27.8	174.4	174.1	157.4	63.7	93.8	-27.6	113.1	A538 N540 E541 E579 D583 L584 V585	A538-R587 HydrophobicContact CB-CG 4.19Å; A538-R587 PolarHBondContact O-NH1 3.02Å; N540-R587 PolarHBondContact O-NH1 3.2Å; N540-R587 PolarHBondContact O-NH2 3.47Å; E541-R587 PolarHBondContact O-NH2 3.05Å; E579-R587 IonicContact OE1-CZ 3.15Å; E579-R587 IonicContact OE1-NE 2.7Å; E579-R587 PolarHBondContact OE1-NE 3.17Å; E579-R587 IonicContact OE1-NH2 3.18Å; E579-R587 PolarHBondContact OE1-NH2 3.28Å; E579-R587 IonicContact OE2-CZ 2.68Å; E579-R587 IonicContact OE2-NE 3.51Å; E579-R587 IonicContact OE2-NH2 3.64Å; E579-R587 PolarHBondContact OE2-NH2 3.13Å; D583-R587 WeakPolarHBondContact O-CB 3.45Å; D583-R587 PolarHBondContact O-N 3.28Å; L584-R587 PolarHBondContact O-N 2.93Å; V585-R587 VanDerWaalsContact C-N 3.31Å; V585-R587 PolarHBondContact O-N 3.49Å
588	L	97.3	Very high	94.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-93.2	-8	-176.9	-71.8	169.5	0	0	0	114.5	W279 A538 L539 L584 V585 A586 V591 I592 V609 C612 L613	W279-L588 HydrophobicContact CH2-CB 4Å; W279-L588 HydrophobicContact CZ2-CB 4.37Å; A538-L588 WeakPolarHBondContact O-CD2 3.31Å; L539-L588 HydrophobicContact CD2-CD2 4.11Å; L584-L588 HydrophobicContact CD1-CD1 4.24Å; L584-L588 HydrophobicContact CG-CD1 3.92Å; L584-L588 VanDerWaalsContact O-CB 3.31Å; L584-L588 WeakPolarHBondContact O-CB 3.37Å; L584-L588 WeakPolarHBondContact O-CD1 3.34Å; L584-L588 WeakPolarHBondContact O-CG 3.34Å; L584-L588 PolarHBondContact O-N 3.02Å; V585-L588 PolarHBondContact O-N 2.68Å; A586-L588 VanDerWaalsContact C-N 3.3Å; A586-L588 PolarHBondContact O-N 3.4Å; L588-V591 HydrophobicContact CD2-CB 4.21Å; L588-V591 HydrophobicContact CD2-CG2 3.94Å; L588-V591 WeakPolarHBondContact O-CA 3.34Å; L588-V591 WeakPolarHBondContact O-CB 3.43Å; L588-V591 PolarHBondContact O-N 3.39Å; L588-I592 PolarHBondContact O-N 2.93Å; L588-V609 HydrophobicContact CD1-CG1 4.02Å; L588-V609 HydrophobicContact CD2-CG1 3.93Å; L588-C612 HydrophobicContact CD1-CB 3.46Å; L588-C612 VanDerWaalsContact CD1-CB 3.46Å; L588-L613 HydrophobicContact CB-CD2 4.49Å; L588-L613 HydrophobicContact CD1-CD2 4.31Å; L588-L613 HydrophobicContact CD2-CD2 4.29Å
589	E	94.6	Very high	94.5	Very high	35 Å²	35	24.3 Å²	24.3	16%	0.164	13%	0.131	C	C	.	.	H	α-helix	trans	-47.4	-49.9	175.6	163.7	164.4	-108.1	0	0	112.9	Y276 W279 R452 V585 V591 I592 M593	Y276-E589 PolarHBondContact OH-OE1 3.22Å; W279-E589 HydrophobicContact CZ3-CB 4.24Å; R452-E589 IonicContact CZ-OE1 3.81Å; R452-E589 IonicContact CZ-OE2 3.76Å; R452-E589 IonicContact NH1-OE1 3.77Å; R452-E589 PolarHBondContact NH1-OE1 2.84Å; R452-E589 IonicContact NH1-OE2 3.22Å; R452-E589 PolarHBondContact NH1-OE2 2.94Å; R452-E589 IonicContact NH2-OE2 2.74Å; R452-E589 PolarHBondContact NH2-OE2 2.82Å; R452-E589 VanDerWaalsContact NH2-OE2 3.08Å; V585-E589 PolarHBondContact O-N 3.02Å; V585-E589 VanDerWaalsContact O-N 3.17Å; E589-V591 VanDerWaalsContact C-N 3.26Å; E589-V591 PolarHBondContact O-N 2.95Å; E589-I592 PolarHBondContact O-N 3.13Å; E589-I592 VanDerWaalsContact O-N 3.15Å; E589-M593 WeakPolarHBondContact O-CG 3.17Å; E589-M593 PolarHBondContact O-N 2.99Å
590	P	95.3	Very high	94.4	Very high	69 Å²	69	24.5 Å²	24.5	45%	0.448	13%	0.133	S	C	.	.	H	α-helix	trans	-62.6	-29	177.5	-23.3	35	0	0	0	114.3	E594	P590-E594 PolarHBondContact O-N 3.45Å
591	V	97.1	Very high	94.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-73.1	-40.4	176.6	-176.7	0	0	0	0	110.2	W515 W536 A538 L539 L588 E589 E594 L595 L613	W515-V591 HydrophobicContact CE3-CG1 4.19Å; W515-V591 HydrophobicContact CZ3-CG1 3.85Å; W536-V591 HydrophobicContact CE3-CG2 4.04Å; W536-V591 HydrophobicContact CZ3-CG2 4.5Å; A538-V591 HydrophobicContact CB-CG2 3.75Å; L539-V591 HydrophobicContact CD2-CG1 3.96Å; L539-V591 HydrophobicContact CD2-CG2 4.49Å; L539-V591 HydrophobicContact CG-CG1 4.48Å; L588-V591 HydrophobicContact CD2-CB 4.21Å; L588-V591 HydrophobicContact CD2-CG2 3.94Å; L588-V591 WeakPolarHBondContact O-CA 3.34Å; L588-V591 WeakPolarHBondContact O-CB 3.43Å; L588-V591 PolarHBondContact O-N 3.39Å; E589-V591 VanDerWaalsContact C-N 3.26Å; E589-V591 PolarHBondContact O-N 2.95Å; V591-E594 PolarHBondContact O-N 3.44Å; V591-L595 HydrophobicContact CG1-CD1 4.39Å; V591-L595 WeakPolarHBondContact O-CG 3.39Å; V591-L595 PolarHBondContact O-N 3.01Å; V591-L613 HydrophobicContact CG1-CD2 4.22Å
592	I	95.4	Very high	94.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.6	-42.6	174.3	-63.3	-58.4	0	0	0	111.2	W279 L588 E589 E594 L595 E596 L613 Y616	W279-I592 HydrophobicContact CH2-CD1 4.47Å; W279-I592 HydrophobicContact CH2-CG1 3.51Å; W279-I592 HydrophobicContact CZ2-CD1 4.35Å; W279-I592 HydrophobicContact CZ2-CG1 3.85Å; W279-I592 HydrophobicContact CZ3-CG1 3.88Å; L588-I592 PolarHBondContact O-N 2.93Å; E589-I592 PolarHBondContact O-N 3.13Å; E589-I592 VanDerWaalsContact O-N 3.15Å; I592-E594 VanDerWaalsContact C-N 3.33Å; I592-E594 PolarHBondContact O-N 3.05Å; I592-L595 PolarHBondContact O-N 3.04Å; I592-E596 PolarHBondContact O-N 3.18Å; I592-L613 HydrophobicContact CD1-CD2 3.48Å; I592-L613 VanDerWaalsContact CD1-CD2 3.48Å; I592-L613 HydrophobicContact CG1-CD2 4.34Å; I592-Y616 HydrophobicContact CD1-CD1 3.72Å; I592-Y616 HydrophobicContact CD1-CE1 4.47Å; I592-Y616 HydrophobicContact CD1-CG 3.77Å; I592-Y616 HydrophobicContact CG1-CG 4.33Å; I592-Y616 HydrophobicContact CG2-CD1 3.86Å; I592-Y616 HydrophobicContact CG2-CD2 3.88Å; I592-Y616 HydrophobicContact CG2-CE1 3.63Å; I592-Y616 HydrophobicContact CG2-CE2 3.67Å; I592-Y616 HydrophobicContact CG2-CG 3.98Å
593	M	94.1	Very high	94.8	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-44	176.7	-61.5	-60	94.2	0	0	111.8	Y276 Y455 Y456 E589 E596 R597	Y276-M593 HydrophobicContact CD2-CE 3.67Å; Y276-M593 HydrophobicContact CE2-CE 3.36Å; Y276-M593 HydrophobicContact CE2-SD 4.26Å; Y276-M593 HydrophobicContact CG-CE 4.48Å; Y455-M593 HydrophobicContact CD1-SD 4.21Å; Y455-M593 HydrophobicContact CE1-CB 4.5Å; Y455-M593 HydrophobicContact CE1-CG 3.72Å; Y455-M593 HydrophobicContact CE1-SD 3.87Å; Y456-M593 HydrophobicContact CD2-CE 3.61Å; Y456-M593 HydrophobicContact CD2-SD 3.9Å; Y456-M593 HydrophobicContact CE2-CE 4.01Å; E589-M593 WeakPolarHBondContact O-CG 3.17Å; E589-M593 PolarHBondContact O-N 2.99Å; M593-E596 PolarHBondContact O-N 3.41Å; M593-R597 WeakPolarHBondContact O-CB 3.12Å; M593-R597 PolarHBondContact O-N 2.78Å; M593-R597 VanDerWaalsContact O-N 3.11Å
594	E	94.8	Very high	94.9	Very high	27 Å²	27	22.8 Å²	22.8	13%	0.126	13%	0.125	C	C	.	.	H	α-helix	trans	-73.1	-32.9	179.9	-167.8	68.5	-171.2	0	0	112.2	W515 W536 P590 V591 I592 E596 R597 Q598	W515-E594 HydrophobicContact CH2-CB 3.55Å; W515-E594 HydrophobicContact CH2-CG 3.34Å; W515-E594 HydrophobicContact CZ2-CB 4.17Å; W515-E594 HydrophobicContact CZ2-CG 3.41Å; W515-E594 VanDerWaalsContact CZ2-CG 3.41Å; W515-E594 HydrophobicContact CZ3-CB 4.39Å; W515-E594 HydrophobicContact CZ3-CG 4.49Å; W536-E594 HydrophobicContact CH2-CB 3.95Å; W536-E594 HydrophobicContact CH2-CG 3.94Å; W536-E594 HydrophobicContact CZ2-CB 4.41Å; W536-E594 HydrophobicContact CZ2-CG 3.98Å; P590-E594 PolarHBondContact O-N 3.45Å; V591-E594 PolarHBondContact O-N 3.44Å; I592-E594 VanDerWaalsContact C-N 3.33Å; I592-E594 PolarHBondContact O-N 3.05Å; E594-E596 VanDerWaalsContact C-N 3.27Å; E594-E596 PolarHBondContact O-N 3.42Å; E594-R597 VanDerWaalsContact CD-NH2 3.26Å; E594-R597 PolarHBondContact O-N 3.49Å; E594-R597 IonicContact OE1-CZ 2.81Å; E594-R597 IonicContact OE1-NE 2.72Å; E594-R597 PolarHBondContact OE1-NE 3.5Å; E594-R597 IonicContact OE1-NH2 3.25Å; E594-R597 PolarHBondContact OE1-NH2 3.31Å; E594-R597 IonicContact OE2-CZ 2.93Å; E594-R597 IonicContact OE2-NE 2.73Å; E594-R597 PolarHBondContact OE2-NE 2.95Å; E594-R597 IonicContact OE2-NH2 2.96Å; E594-R597 PolarHBondContact OE2-NH2 2.74Å; E594-Q598 HydrophobicContact CG-CG 3.99Å; E594-Q598 WeakPolarHBondContact O-CB 3.32Å; E594-Q598 VanDerWaalsContact O-CG 3.31Å; E594-Q598 WeakPolarHBondContact O-CG 3.46Å; E594-Q598 PolarHBondContact O-N 3.14Å; E594-Q598 PolarHBondContact OE1-NE2 3.3Å
595	L	94.4	Very high	95.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-69.2	-23.8	170.1	-69.9	177.5	0	0	0	113.3	R465 I467 W515 V591 I592 V601 V603 L613 F617	R465-L595 PolarHBondContact NE-O 3.06Å; R465-L595 PolarHBondContact NH2-O 3.46Å; I467-L595 HydrophobicContact CD1-CB 4.29Å; I467-L595 HydrophobicContact CD1-CD2 4.5Å; I467-L595 HydrophobicContact CG2-CD2 4.28Å; W515-L595 HydrophobicContact CE3-CD2 4.04Å; W515-L595 HydrophobicContact CH2-CD2 3.76Å; W515-L595 HydrophobicContact CH2-CG 4.05Å; W515-L595 HydrophobicContact CZ3-CD2 3.4Å; W515-L595 HydrophobicContact CZ3-CG 3.6Å; V591-L595 HydrophobicContact CG1-CD1 4.39Å; V591-L595 WeakPolarHBondContact O-CG 3.39Å; V591-L595 PolarHBondContact O-N 3.01Å; I592-L595 PolarHBondContact O-N 3.04Å; L595-V601 HydrophobicContact CD2-CB 4.07Å; L595-V601 HydrophobicContact CD2-CG1 3.94Å; L595-V601 HydrophobicContact CD2-CG2 4.32Å; L595-V603 HydrophobicContact CD2-CG2 3.96Å; L595-L613 HydrophobicContact CD1-CD2 4.42Å; L595-F617 HydrophobicContact CB-CZ 3.96Å; L595-F617 HydrophobicContact CD1-CE2 3.8Å; L595-F617 HydrophobicContact CD1-CZ 3.95Å
596	E	91.9	Very high	95.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-77.5	-25.8	171.4	-78.4	-66.4	-179.2	0	0	113.1	K272 R275 Y456 N459 I460 H461 R465 I592 M593 E594 Y616	K272-E596 IonicContact NZ-OE1 3.34Å; K272-E596 PolarHBondContact NZ-OE1 3.18Å; K272-E596 IonicContact NZ-OE2 3.09Å; K272-E596 PolarHBondContact NZ-OE2 2.89Å; R275-E596 IonicContact NH2-OE1 2.75Å; R275-E596 PolarHBondContact NH2-OE1 3.34Å; R275-E596 VanDerWaalsContact NH2-OE1 3.12Å; Y456-E596 HydrophobicContact CE2-CG 4.13Å; N459-E596 CarbonylContact O-C 3.58Å; N459-E596 VanDerWaalsContact O-C 3.28Å; N459-E596 VanDerWaalsContact O-O 3.1Å; I460-E596 HydrophobicContact CG2-CB 4.14Å; I460-E596 HydrophobicContact CG2-CG 4.32Å; H461-E596 PolarHBondContact CD2-O 2.94Å; R465-E596 IonicContact CZ-OE2 3.62Å; R465-E596 VanDerWaalsContact NH2-CA 3.31Å; R465-E596 PolarHBondContact NH2-O 2.97Å; R465-E596 VanDerWaalsContact NH2-O 3.15Å; R465-E596 IonicContact NH2-OE2 3.65Å; R465-E596 PolarHBondContact NH2-OE2 3.33Å; I592-E596 PolarHBondContact O-N 3.18Å; M593-E596 PolarHBondContact O-N 3.41Å; E594-E596 VanDerWaalsContact C-N 3.27Å; E594-E596 PolarHBondContact O-N 3.42Å; E596-Y616 HydrophobicContact CG-CE1 4.31Å; E596-Y616 WeakPolarHBondContact CG-OH 3.22Å; E596-Y616 PolarHBondContact OE1-OH 3.13Å
597	R	90.7	Very high	95.6	Very high	128 Å²	128	20.6 Å²	20.6	48%	0.483	10%	0.104	S	C	.	.	H	α-helix	trans	-89.7	-34.5	-179.7	-167	175	80.6	130.3	-4.1	115.1	N459 H461 M593 E594	N459-R597 HydrophobicContact CB-CB 4.4Å; N459-R597 WeakPolarHBondContact O-CA 3.27Å; N459-R597 PolarHBondContact O-N 3.09Å; N459-R597 WeakPolarHBondContact OD1-CD 3.37Å; H461-R597 PolarHBondContact CD2-O 2.85Å; M593-R597 WeakPolarHBondContact O-CB 3.12Å; M593-R597 PolarHBondContact O-N 2.78Å; M593-R597 VanDerWaalsContact O-N 3.11Å; E594-R597 VanDerWaalsContact CD-NH2 3.26Å; E594-R597 PolarHBondContact O-N 3.49Å; E594-R597 IonicContact OE1-CZ 2.81Å; E594-R597 IonicContact OE1-NE 2.72Å; E594-R597 PolarHBondContact OE1-NE 3.5Å; E594-R597 IonicContact OE1-NH2 3.25Å; E594-R597 PolarHBondContact OE1-NH2 3.31Å; E594-R597 IonicContact OE2-CZ 2.93Å; E594-R597 IonicContact OE2-NE 2.73Å; E594-R597 PolarHBondContact OE2-NE 2.95Å; E594-R597 IonicContact OE2-NH2 2.96Å; E594-R597 PolarHBondContact OE2-NH2 2.74Å
598	Q	90	Very high	95.7	Very high	27 Å²	27	18 Å²	18	13%	0.126	10%	0.095	C	C	.	.			trans	-86.4	157	-175	-69.8	-64.3	-18.6	0	0	113.2	H461 R465 W515 E594 V601	H461-Q598 PolarHBondContact NE2-O 3.46Å; H461-Q598 VanDerWaalsContact NE2-O 3.12Å; R465-Q598 WeakPolarHBondContact CD-O 3.49Å; R465-Q598 PolarHBondContact NE-O 3.09Å; W515-Q598 HydrophobicContact CZ2-CG 4.14Å; E594-Q598 HydrophobicContact CG-CG 3.99Å; E594-Q598 WeakPolarHBondContact O-CB 3.32Å; E594-Q598 VanDerWaalsContact O-CG 3.31Å; E594-Q598 WeakPolarHBondContact O-CG 3.46Å; E594-Q598 PolarHBondContact O-N 3.14Å; E594-Q598 PolarHBondContact OE1-NE2 3.3Å; Q598-V601 HydrophobicContact CB-CG2 3.65Å; Q598-V601 HydrophobicContact CG-CG2 4.48Å
599	G	90.6	Very high	95.8	Very high	31 Å²	31	18 Å²	18	32%	0.32	10%	0.095	S	C	.	.	S	Bend	trans	-75	-119.5	170.4	0	0	0	0	0	112.7	R465 V601	R465-G599 WeakPolarHBondContact CD-O 3.39Å; G599-V601 PolarHBondContact O-N 2.74Å
600	N	95.8	Very high	96	Very high	38 Å²	38	16.4 Å²	16.4	20%	0.203	9%	0.087	C	C	.	.	S	Bend	trans	-78.3	124.4	-176.9	-61.6	-41.1	0	0	0	111.4	T466 I509 D510 L512 R513	T466-N600 PolarHBondContact N-OD1 3.2Å; T466-N600 WeakPolarHBondContact O-CA 3.47Å; I509-N600 HydrophobicContact CG2-CB 3.45Å; I509-N600 VanDerWaalsContact CG2-CB 3.45Å; D510-N600 PolarHBondContact O-ND2 3.31Å; L512-N600 WeakPolarHBondContact CA-O 3.39Å; L512-N600 HydrophobicContact CD1-CB 4.43Å; R513-N600 PolarHBondContact N-O 2.82Å
601	V	97.8	Very high	96.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	132.4	-177	-174.4	0	0	0	0	110.8	T466 I467 Y468 R513 W515 L595 Q598 G599 V603	T466-V601 PolarHBondContact O-N 3.15Å; I467-V601 CarbonylContact C-O 3.58Å; I467-V601 WeakPolarHBondContact CA-O 3.47Å; Y468-V601 PolarHBondContact N-O 3.42Å; R513-V601 HydrophobicContact CB-CG2 4.48Å; R513-V601 CarbonylContact O-C 3.52Å; R513-V601 WeakPolarHBondContact O-CA 3.37Å; W515-V601 HydrophobicContact CD2-CG1 3.78Å; W515-V601 HydrophobicContact CE3-CG1 4.1Å; W515-V601 HydrophobicContact CG-CG1 4.08Å; W515-V601 HydrophobicContact CZ2-CG1 4.31Å; W515-V601 HydrophobicContact CZ3-CG1 4.49Å; L595-V601 HydrophobicContact CD2-CB 4.07Å; L595-V601 HydrophobicContact CD2-CG1 3.94Å; L595-V601 HydrophobicContact CD2-CG2 4.32Å; Q598-V601 HydrophobicContact CB-CG2 3.65Å; Q598-V601 HydrophobicContact CG-CG2 4.48Å; G599-V601 PolarHBondContact O-N 2.74Å; V601-V603 HydrophobicContact CG1-CG2 3.95Å
602	L	98.6	Very high	96.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.2	166	171.7	65.8	0	0	0	109.4	Y468 T470 I504 L512 R513 V514 W515 V529 V604	Y468-L602 CarbonylContact O-C 3.59Å; Y468-L602 WeakPolarHBondContact O-CA 3.32Å; T470-L602 HydrophobicContact CG2-CD1 4.14Å; I504-L602 HydrophobicContact CD1-CD1 4.37Å; I504-L602 HydrophobicContact CD1-CD2 3.98Å; I504-L602 HydrophobicContact CG1-CD2 3.97Å; L512-L602 HydrophobicContact CD1-CB 4.07Å; R513-L602 PolarHBondContact O-N 3.26Å; V514-L602 CarbonylContact C-O 3.46Å; V514-L602 WeakPolarHBondContact CA-O 3.31Å; V514-L602 HydrophobicContact CG1-CD2 4.42Å; V514-L602 HydrophobicContact CG2-CB 4.33Å; V514-L602 HydrophobicContact CG2-CD2 4.21Å; W515-L602 PolarHBondContact N-O 3.45Å; V529-L602 HydrophobicContact CG1-CD2 4.43Å; L602-V604 HydrophobicContact CD1-CG2 4.23Å; L602-V604 HydrophobicContact CD2-CG2 4.23Å; L602-V604 HydrophobicContact CG-CG2 3.97Å
603	V	98.8	Very high	96.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.3	175.5	-173.7	0	0	0	0	109.4	Y468 L469 T470 W515 L539 L595 V601 L610 L613	Y468-V603 PolarHBondContact O-N 2.81Å; L469-V603 HydrophobicContact CD2-CB 3.76Å; L469-V603 HydrophobicContact CD2-CG2 3.94Å; T470-V603 PolarHBondContact N-O 2.88Å; W515-V603 HydrophobicContact CE3-CG2 4.08Å; L539-V603 HydrophobicContact CD1-CG1 3.77Å; L539-V603 HydrophobicContact CD2-CG1 3.85Å; L595-V603 HydrophobicContact CD2-CG2 3.96Å; V601-V603 HydrophobicContact CG1-CG2 3.95Å; V603-L610 HydrophobicContact CG1-CD2 4.36Å; V603-L613 HydrophobicContact CG1-CD1 4.06Å
604	V	98.8	Very high	96.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	109.3	174.6	-175.2	0	0	0	0	110	T470 L500 W515 T516 A522 T525 V526 L602	T470-V604 HydrophobicContact CG2-CG2 3.85Å; T470-V604 WeakPolarHBondContact O-CA 3.28Å; L500-V604 HydrophobicContact CD2-CG2 4.36Å; W515-V604 PolarHBondContact O-N 3.16Å; T516-V604 WeakPolarHBondContact CA-O 3.41Å; T516-V604 HydrophobicContact CG2-CB 4.27Å; A522-V604 HydrophobicContact CB-CG1 4.5Å; T525-V604 HydrophobicContact CG2-CG1 3.82Å; V526-V604 HydrophobicContact CG1-CB 3.83Å; V526-V604 HydrophobicContact CG1-CG1 4.2Å; V526-V604 HydrophobicContact CG1-CG2 3.37Å; L602-V604 HydrophobicContact CD1-CG2 4.23Å; L602-V604 HydrophobicContact CD2-CG2 4.23Å; L602-V604 HydrophobicContact CG-CG2 3.97Å
605	S	98.5	Very high	96.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	-141.2	-173	-177	0	0	0	0	111.3	T470 R471 H472 L539 V609	T470-S605 PolarHBondContact O-N 2.89Å; R471-S605 CarbonylContact C-O 3.58Å; R471-S605 VanDerWaalsContact CA-O 3.28Å; R471-S605 WeakPolarHBondContact CA-O 3.19Å; H472-S605 PolarHBondContact CD2-O 2.96Å; H472-S605 PolarHBondContact N-O 3.37Å; L539-S605 PolarHBondContact O-OG 3.19Å; S605-V609 VanDerWaalsContact OG-CB 3.29Å; S605-V609 WeakPolarHBondContact OG-CB 3.18Å; S605-V609 WeakPolarHBondContact OG-CG1 3.17Å
606	H	98.8	Very high	96.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.			trans	-133	176.8	-161.2	-51.2	-86.8	0	0	0	112.8	H472 S517 M519 L539 E541 L610	H472-H606 AromaticContact CD2-CE1 3.55Å; H472-H606 AromaticContact CD2-CG 3.9Å; H472-H606 AromaticContact CD2-ND1 3.01Å; H472-H606 PolarHBondContact CD2-ND1 2.97Å; H472-H606 AromaticContact NE2-CE1 3.95Å; H472-H606 AromaticContact NE2-ND1 3.11Å; H472-H606 PolarHBondContact NE2-ND1 3.47Å; H472-H606 VanDerWaalsContact NE2-ND1 3.11Å; S517-H606 VanDerWaalsContact CB-NE2 3.33Å; S517-H606 WeakPolarHBondContact CB-NE2 3.23Å; S517-H606 PolarHBondContact OG-NE2 3.26Å; M519-H606 PolarHBondContact SD-CE1 3.34Å; M519-H606 PolarHBondContact SD-NE2 3.16Å; M519-H606 VanDerWaalsContact SD-NE2 3.41Å; L539-H606 PolarHBondContact O-CD2 2.71Å; L539-H606 VanDerWaalsContact O-CD2 3.31Å; E541-H606 HydrophobicContact CB-CB 3.62Å; E541-H606 HydrophobicContact CG-CB 3.84Å; E541-H606 PolarHBondContact N-CD2 3.11Å; E541-H606 VanDerWaalsContact N-CD2 3.26Å; E541-H606 VanDerWaalsContact OE1-CB 3.3Å; E541-H606 WeakPolarHBondContact OE1-CB 3.31Å; E541-H606 VanDerWaalsContact OE2-CB 3.32Å; E541-H606 WeakPolarHBondContact OE2-CB 3.42Å; H606-L610 WeakPolarHBondContact O-CB 3.26Å; H606-L610 WeakPolarHBondContact O-CG 3.48Å; H606-L610 PolarHBondContact O-N 3Å
607	Q	98.4	Very high	96.1	Very high	19 Å²	19	12.7 Å²	12.7	9%	0.089	6%	0.063	C	C	.	.	H	α-helix	trans	-71.8	-38.8	-166.7	-171.4	175	-104.9	0	0	113	E541 R611 T659	E541-Q607 PolarHBondContact OE2-N 2.94Å; Q607-R611 WeakPolarHBondContact O-CD 3.49Å; Q607-R611 WeakPolarHBondContact O-CG 3.3Å; Q607-T659 PolarHBondContact NE2-O 2.88Å; Q607-T659 PolarHBondContact OE1-O 2.91Å; Q607-T659 VanDerWaalsContact OE1-O 3.11Å; Q607-T659 PolarHBondContact OE1-OG1 3.25Å
608	A	98.4	Very high	96.1	Very high	2 Å²	2	9 Å²	9	2%	0.017	5%	0.053	C	C	.	.	H	α-helix	trans	-78.4	-41.4	176.8	0	0	0	0	0	111.5	E541 I542 Y581 L584 L610 R611 C612	E541-A608 WeakPolarHBondContact OE1-CA 3.08Å; E541-A608 WeakPolarHBondContact OE1-CB 3.37Å; E541-A608 PolarHBondContact OE1-N 2.93Å; E541-A608 PolarHBondContact OE2-N 3.45Å; I542-A608 HydrophobicContact CB-CB 3.76Å; I542-A608 HydrophobicContact CG2-CB 3.51Å; Y581-A608 HydrophobicContact CD1-CB 4.41Å; Y581-A608 HydrophobicContact CE1-CB 3.61Å; L584-A608 HydrophobicContact CD2-CB 3.62Å; A608-L610 PolarHBondContact O-N 3.35Å; A608-R611 WeakPolarHBondContact O-CB 3.46Å; A608-R611 PolarHBondContact O-N 3.47Å; A608-C612 PolarHBondContact O-N 3Å
609	V	98.7	Very high	96	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58.4	-51.1	179.4	175.1	0	0	0	0	111.9	L539 N540 E541 L584 L588 S605 R611 C612 L613	L539-V609 HydrophobicContact CD2-CG1 3.75Å; N540-V609 WeakPolarHBondContact O-CG2 3.41Å; E541-V609 PolarHBondContact OE1-N 2.8Å; L584-V609 HydrophobicContact CD1-CG2 4.12Å; L584-V609 HydrophobicContact CD2-CG2 4.38Å; L588-V609 HydrophobicContact CD1-CG1 4.02Å; L588-V609 HydrophobicContact CD2-CG1 3.93Å; S605-V609 VanDerWaalsContact OG-CB 3.29Å; S605-V609 WeakPolarHBondContact OG-CB 3.18Å; S605-V609 WeakPolarHBondContact OG-CG1 3.17Å; V609-R611 PolarHBondContact O-N 3.35Å; V609-C612 WeakPolarHBondContact O-CB 3.26Å; V609-C612 PolarHBondContact O-N 3.23Å; V609-C612 VanDerWaalsContact O-N 3.11Å; V609-L613 HydrophobicContact CG1-CD1 4.34Å; V609-L613 HydrophobicContact CG1-CG 4.49Å; V609-L613 PolarHBondContact O-N 3.29Å; V609-L613 VanDerWaalsContact O-N 3.12Å
610	L	98.5	Very high	95.9	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-68.7	-25.8	-176.6	-64.4	175	0	0	0	112	L469 T470 R471 V603 H606 A608 L613 F614 V630	L469-L610 HydrophobicContact CB-CD2 4.21Å; L469-L610 HydrophobicContact CD2-CD2 4.34Å; T470-L610 VanDerWaalsContact O-CD1 3.25Å; T470-L610 WeakPolarHBondContact O-CD1 3.46Å; R471-L610 HydrophobicContact CB-CD1 4.35Å; R471-L610 HydrophobicContact CG-CD1 3.55Å; V603-L610 HydrophobicContact CG1-CD2 4.36Å; H606-L610 WeakPolarHBondContact O-CB 3.26Å; H606-L610 WeakPolarHBondContact O-CG 3.48Å; H606-L610 PolarHBondContact O-N 3Å; A608-L610 PolarHBondContact O-N 3.35Å; L610-L613 HydrophobicContact CD2-CD1 4.12Å; L610-L613 PolarHBondContact O-N 3.31Å; L610-F614 WeakPolarHBondContact O-CB 3.3Å; L610-F614 PolarHBondContact O-N 3.37Å; L610-V630 HydrophobicContact CB-CG1 3.96Å; L610-V630 HydrophobicContact CD1-CG1 3.99Å
611	R	98.3	Very high	95.6	Very high	4 Å²	4	10.8 Å²	10.8	2%	0.015	5%	0.054	C	C	.	.	H	α-helix	trans	-61.8	-46.1	169.2	-77.5	173.1	162.9	145.9	3.5	111.9	Y581 Q607 A608 V609 F614 A615 L625 P626 L628 V630 H660	Y581-R611 HydrophobicContact CE1-CB 4.25Å; Y581-R611 PolarHBondContact OH-NH1 2.83Å; Q607-R611 WeakPolarHBondContact O-CD 3.49Å; Q607-R611 WeakPolarHBondContact O-CG 3.3Å; A608-R611 WeakPolarHBondContact O-CB 3.46Å; A608-R611 PolarHBondContact O-N 3.47Å; V609-R611 PolarHBondContact O-N 3.35Å; R611-F614 PolarHBondContact O-N 2.92Å; R611-A615 WeakPolarHBondContact O-CB 3.45Å; R611-A615 PolarHBondContact O-N 3.5Å; R611-L625 WeakPolarHBondContact CB-O 3.18Å; R611-L625 WeakPolarHBondContact CD-O 3.3Å; R611-P626 VanDerWaalsContact CZ-O 3.31Å; R611-P626 PolarHBondContact NE-O 3.05Å; R611-P626 PolarHBondContact NH1-O 2.78Å; R611-L628 HydrophobicContact CG-CB 4.2Å; R611-L628 PolarHBondContact NE-O 3.22Å; R611-L628 PolarHBondContact NH2-O 2.93Å; R611-V630 HydrophobicContact CG-CG2 4.04Å; R611-H660 PolarHBondContact NH2-ND1 2.96Å
612	C	97.4	Very high	95.1	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.4	-44.2	176.6	-66.5	0	0	0	0	112.2	W279 V585 L588 A608 V609 Y616	W279-C612 PolarHBondContact NE1-O 3.35Å; V585-C612 HydrophobicContact CG2-CB 4.39Å; L588-C612 HydrophobicContact CD1-CB 3.46Å; L588-C612 VanDerWaalsContact CD1-CB 3.46Å; A608-C612 PolarHBondContact O-N 3Å; V609-C612 WeakPolarHBondContact O-CB 3.26Å; V609-C612 PolarHBondContact O-N 3.23Å; V609-C612 VanDerWaalsContact O-N 3.11Å; C612-Y616 PolarHBondContact O-N 3.27Å
613	L	97.1	Very high	94.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.9	-45.5	177	-59.9	-176.4	0	0	0	111.9	L469 L539 L588 V591 I592 L595 V603 V609 L610 Y616 F617	L469-L613 HydrophobicContact CD1-CB 4.13Å; L469-L613 HydrophobicContact CD2-CD1 4.23Å; L539-L613 HydrophobicContact CD2-CD1 4.17Å; L588-L613 HydrophobicContact CB-CD2 4.49Å; L588-L613 HydrophobicContact CD1-CD2 4.31Å; L588-L613 HydrophobicContact CD2-CD2 4.29Å; V591-L613 HydrophobicContact CG1-CD2 4.22Å; I592-L613 HydrophobicContact CD1-CD2 3.48Å; I592-L613 VanDerWaalsContact CD1-CD2 3.48Å; I592-L613 HydrophobicContact CG1-CD2 4.34Å; L595-L613 HydrophobicContact CD1-CD2 4.42Å; V603-L613 HydrophobicContact CG1-CD1 4.06Å; V609-L613 HydrophobicContact CG1-CD1 4.34Å; V609-L613 HydrophobicContact CG1-CG 4.49Å; V609-L613 PolarHBondContact O-N 3.29Å; V609-L613 VanDerWaalsContact O-N 3.12Å; L610-L613 HydrophobicContact CD2-CD1 4.12Å; L610-L613 PolarHBondContact O-N 3.31Å; L613-Y616 WeakPolarHBondContact O-CB 3.24Å; L613-Y616 PolarHBondContact O-N 3.48Å; L613-F617 WeakPolarHBondContact O-CD2 3.29Å; L613-F617 PolarHBondContact O-N 2.68Å; L613-F617 VanDerWaalsContact O-N 3.16Å
614	F	93.9	Very high	94.2	Very high	12 Å²	12	19.9 Å²	19.9	5%	0.053	10%	0.102	C	C	.	.	H	α-helix	trans	-66.9	-39.1	-179	-167.9	-150.4	0	0	0	111.2	L469 L610 R611 Y616 F617 L618 L628 V630 I636 L638 V647 H649	L469-F614 HydrophobicContact CD1-CB 4.35Å; L610-F614 WeakPolarHBondContact O-CB 3.3Å; L610-F614 PolarHBondContact O-N 3.37Å; R611-F614 PolarHBondContact O-N 2.92Å; F614-Y616 VanDerWaalsContact C-N 3.34Å; F614-Y616 PolarHBondContact O-N 3.24Å; F614-F617 PolarHBondContact O-N 3.24Å; F614-L618 HydrophobicContact CD2-CD1 3.81Å; F614-L618 HydrophobicContact CD2-CD2 4.41Å; F614-L618 HydrophobicContact CD2-CG 3.78Å; F614-L618 HydrophobicContact CE1-CD1 4.2Å; F614-L618 HydrophobicContact CE2-CD1 3.39Å; F614-L618 HydrophobicContact CE2-CD2 4.15Å; F614-L618 HydrophobicContact CE2-CG 3.76Å; F614-L618 HydrophobicContact CG-CD1 4.37Å; F614-L618 HydrophobicContact CZ-CD1 3.62Å; F614-L618 HydrophobicContact CZ-CG 4.46Å; F614-L618 WeakPolarHBondContact O-CB 3.32Å; F614-L618 WeakPolarHBondContact O-CG 3.26Å; F614-L618 PolarHBondContact O-N 2.81Å; F614-L628 HydrophobicContact CD1-CB 4.38Å; F614-L628 HydrophobicContact CD1-CD1 4.27Å; F614-V630 HydrophobicContact CD1-CG2 4.25Å; F614-I636 HydrophobicContact CD2-CG2 4.32Å; F614-I636 HydrophobicContact CE1-CD1 4.28Å; F614-I636 HydrophobicContact CE2-CG2 3.72Å; F614-I636 HydrophobicContact CZ-CD1 4.4Å; F614-I636 HydrophobicContact CZ-CG2 4.01Å; F614-L638 HydrophobicContact CD2-CD2 4.05Å; F614-L638 HydrophobicContact CE2-CD2 3.85Å; F614-V647 HydrophobicContact CE2-CG1 3.9Å; F614-V647 HydrophobicContact CE2-CG2 4.25Å; F614-V647 HydrophobicContact CZ-CG1 4.04Å; F614-H649 AromaticContact CZ-NE2 3.86Å
615	A	93.3	Very high	94	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	10%	0.102	C	C	.	.	H	α-helix	trans	-62	-37.6	173.1	0	0	0	0	0	113.1	R611 D619 K620 L625 L628	R611-A615 WeakPolarHBondContact O-CB 3.45Å; R611-A615 PolarHBondContact O-N 3.5Å; A615-D619 PolarHBondContact O-N 3.41Å; A615-D619 VanDerWaalsContact O-N 3.08Å; A615-K620 HydrophobicContact CB-CB 4.02Å; A615-K620 PolarHBondContact O-N 3.25Å; A615-L625 HydrophobicContact CB-CB 3.86Å; A615-L625 HydrophobicContact CB-CD1 3.61Å; A615-L625 HydrophobicContact CB-CG 3.62Å; A615-L628 HydrophobicContact CB-CD1 3.79Å
616	Y	94.1	Very high	93.9	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-60.9	-49.9	172	170.7	-98.8	0	0	0	111.6	R275 W279 Y456 I592 E596 C612 L613 F614 L618	R275-Y616 WeakPolarHBondContact CD-O 3.48Å; R275-Y616 PolarHBondContact NE-O 2.88Å; R275-Y616 VanDerWaalsContact NH2-CZ 3.28Å; R275-Y616 PolarHBondContact NH2-OH 3.38Å; W279-Y616 HydrophobicContact CB-CD2 4.21Å; W279-Y616 HydrophobicContact CD2-CD2 4.14Å; W279-Y616 AromaticContact CG-CD2 3.96Å; W279-Y616 HydrophobicContact CG-CD2 3.96Å; Y456-Y616 PolarHBondContact OH-OH 2.72Å; I592-Y616 HydrophobicContact CD1-CD1 3.72Å; I592-Y616 HydrophobicContact CD1-CE1 4.47Å; I592-Y616 HydrophobicContact CD1-CG 3.77Å; I592-Y616 HydrophobicContact CG1-CG 4.33Å; I592-Y616 HydrophobicContact CG2-CD1 3.86Å; I592-Y616 HydrophobicContact CG2-CD2 3.88Å; I592-Y616 HydrophobicContact CG2-CE1 3.63Å; I592-Y616 HydrophobicContact CG2-CE2 3.67Å; I592-Y616 HydrophobicContact CG2-CG 3.98Å; E596-Y616 HydrophobicContact CG-CE1 4.31Å; E596-Y616 WeakPolarHBondContact CG-OH 3.22Å; E596-Y616 PolarHBondContact OE1-OH 3.13Å; C612-Y616 PolarHBondContact O-N 3.27Å; L613-Y616 WeakPolarHBondContact O-CB 3.24Å; L613-Y616 PolarHBondContact O-N 3.48Å; F614-Y616 VanDerWaalsContact C-N 3.34Å; F614-Y616 PolarHBondContact O-N 3.24Å; Y616-L618 VanDerWaalsContact C-N 3.34Å; Y616-L618 PolarHBondContact O-N 2.71Å
617	F	91.9	Very high	93.8	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.009	11%	0.11	C	C	.	.	H	α-helix	trans	-70.2	-30.4	-176.8	-72.5	-67.8	0	0	0	113.6	R275 I467 L595 L613 F614 L638	R275-F617 PolarHBondContact NH1-O 2.9Å; I467-F617 HydrophobicContact CD1-CE1 3.76Å; I467-F617 HydrophobicContact CD1-CE2 4.3Å; I467-F617 HydrophobicContact CD1-CZ 3.57Å; L595-F617 HydrophobicContact CB-CZ 3.96Å; L595-F617 HydrophobicContact CD1-CE2 3.8Å; L595-F617 HydrophobicContact CD1-CZ 3.95Å; L613-F617 WeakPolarHBondContact O-CD2 3.29Å; L613-F617 PolarHBondContact O-N 2.68Å; L613-F617 VanDerWaalsContact O-N 3.16Å; F614-F617 PolarHBondContact O-N 3.24Å; F617-L638 HydrophobicContact CB-CD1 3.9Å; F617-L638 HydrophobicContact CD2-CD1 3.6Å; F617-L638 HydrophobicContact CE2-CD1 4.41Å; F617-L638 HydrophobicContact CG-CD1 3.84Å
618	L	90.1	Very high	93.7	Very high	50 Å²	50	22.1 Å²	22.1	26%	0.262	11%	0.112	S	C	.	.	H	α-helix	trans	-94	0.6	-178.7	-61.6	-160.5	0	0	0	115.3	F614 Y616 K620 C645 V647	F614-L618 HydrophobicContact CD2-CD1 3.81Å; F614-L618 HydrophobicContact CD2-CD2 4.41Å; F614-L618 HydrophobicContact CD2-CG 3.78Å; F614-L618 HydrophobicContact CE1-CD1 4.2Å; F614-L618 HydrophobicContact CE2-CD1 3.39Å; F614-L618 HydrophobicContact CE2-CD2 4.15Å; F614-L618 HydrophobicContact CE2-CG 3.76Å; F614-L618 HydrophobicContact CG-CD1 4.37Å; F614-L618 HydrophobicContact CZ-CD1 3.62Å; F614-L618 HydrophobicContact CZ-CG 4.46Å; F614-L618 WeakPolarHBondContact O-CB 3.32Å; F614-L618 WeakPolarHBondContact O-CG 3.26Å; F614-L618 PolarHBondContact O-N 2.81Å; Y616-L618 VanDerWaalsContact C-N 3.34Å; Y616-L618 PolarHBondContact O-N 2.71Å; L618-K620 HydrophobicContact CB-CG 3.86Å; L618-C645 HydrophobicContact CD2-CB 4.16Å; L618-V647 HydrophobicContact CD1-CG2 4.31Å; L618-V647 HydrophobicContact CD2-CG2 3.45Å; L618-V647 VanDerWaalsContact CD2-CG2 3.45Å; L618-V647 HydrophobicContact CG-CG2 4.48Å
619	D	88.7	Confident	93.5	Very high	45 Å²	45	27.5 Å²	27.5	24%	0.241	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	60	-175.3	-163.2	30.2	0	0	0	111	V234 T236 R275 A615	V234-D619 WeakPolarHBondContact CA-OD2 3.39Å; T236-D619 WeakPolarHBondContact CB-OD1 3.43Å; T236-D619 HydrophobicContact CG2-CB 4.37Å; T236-D619 WeakPolarHBondContact CG2-O 3.2Å; T236-D619 WeakPolarHBondContact CG2-OD1 3.46Å; T236-D619 PolarHBondContact OG1-OD1 2.66Å; R275-D619 HydrophobicContact CG-CB 4.11Å; A615-D619 PolarHBondContact O-N 3.41Å; A615-D619 VanDerWaalsContact O-N 3.08Å
620	K	89	Confident	93.4	Very high	68 Å²	68	27.7 Å²	27.7	30%	0.296	13%	0.133	S	C	.	.			trans	-107.5	144	-179.4	-66.8	-54.8	-149.8	162.7	0	112.8	F239 A615 L618 E624 L628	F239-K620 VanDerWaalsContact CE1-O 3.27Å; F239-K620 WeakPolarHBondContact CE1-O 3.32Å; F239-K620 WeakPolarHBondContact CZ-O 3.44Å; A615-K620 HydrophobicContact CB-CB 4.02Å; A615-K620 PolarHBondContact O-N 3.25Å; L618-K620 HydrophobicContact CB-CG 3.86Å; K620-E624 HydrophobicContact CB-CB 4.49Å; K620-E624 WeakPolarHBondContact CD-OE1 3.49Å; K620-E624 WeakPolarHBondContact CE-OE1 3.41Å; K620-E624 IonicContact NZ-OE1 3.33Å; K620-E624 PolarHBondContact NZ-OE1 3.39Å; K620-L628 HydrophobicContact CB-CD1 4.34Å; K620-L628 HydrophobicContact CG-CD1 4.36Å; K620-L628 HydrophobicContact CG-CD2 4.21Å
621	S	87.8	Confident	93.3	Very high	21 Å²	21	28.4 Å²	28.4	15%	0.147	14%	0.138	C	C	.	.			trans	-71.3	162.6	-175.9	66.3	0	0	0	0	113.4	D623 E624 L625	S621-D623 PolarHBondContact O-N 3.38Å; S621-E624 WeakPolarHBondContact CB-OE2 3.5Å; S621-E624 PolarHBondContact N-OE2 3.1Å; S621-E624 PolarHBondContact O-N 2.81Å; S621-E624 WeakPolarHBondContact OG-CG 3.36Å; S621-E624 PolarHBondContact OG-N 3.18Å; S621-E624 PolarHBondContact OG-OE2 3.12Å; S621-L625 VanDerWaalsContact O-CB 3.31Å; S621-L625 WeakPolarHBondContact O-CB 3.46Å; S621-L625 PolarHBondContact O-N 3.14Å
622	A	87.6	Confident	93.4	Very high	5 Å²	5	28.7 Å²	28.7	4%	0.041	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.9	174.4	0	0	0	0	0	113.3	F239 P240 F571 P626	F239-A622 HydrophobicContact CB-CB 4.32Å; F239-A622 HydrophobicContact CD1-CB 3.72Å; F239-A622 HydrophobicContact CE1-CB 4.25Å; F239-A622 HydrophobicContact CG-CB 4.03Å; P240-A622 VanDerWaalsContact CD-CB 3.45Å; P240-A622 HydrophobicContact CG-CB 4.34Å; F571-A622 HydrophobicContact CD1-CB 3.96Å; F571-A622 HydrophobicContact CD2-CB 3.84Å; F571-A622 WeakPolarHBondContact CD2-O 3.41Å; F571-A622 HydrophobicContact CE1-CB 4.05Å; F571-A622 HydrophobicContact CE2-CB 3.93Å; F571-A622 HydrophobicContact CG-CB 3.86Å; F571-A622 HydrophobicContact CZ-CB 4.05Å; A622-P626 WeakPolarHBondContact O-CD 3.46Å
623	D	88.6	Confident	93.4	Very high	116 Å²	116	28.8 Å²	28.8	62%	0.62	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-35.1	178.7	-60.7	-48.7	0	0	0	111.9	S621 Y627	S621-D623 PolarHBondContact O-N 3.38Å; D623-Y627 WeakPolarHBondContact O-CD2 3.43Å
624	E	90.8	Very high	93.5	Very high	71 Å²	71	29.3 Å²	29.3	33%	0.332	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-39.9	176.8	-67.3	165.8	99.7	0	0	113	K620 S621 Y627 L628	K620-E624 HydrophobicContact CB-CB 4.49Å; K620-E624 WeakPolarHBondContact CD-OE1 3.49Å; K620-E624 WeakPolarHBondContact CE-OE1 3.41Å; K620-E624 IonicContact NZ-OE1 3.33Å; K620-E624 PolarHBondContact NZ-OE1 3.39Å; S621-E624 WeakPolarHBondContact CB-OE2 3.5Å; S621-E624 PolarHBondContact N-OE2 3.1Å; S621-E624 PolarHBondContact O-N 2.81Å; S621-E624 WeakPolarHBondContact OG-CG 3.36Å; S621-E624 PolarHBondContact OG-N 3.18Å; S621-E624 PolarHBondContact OG-OE2 3.12Å; E624-Y627 CarbonylContact O-C 3.59Å; E624-Y627 WeakPolarHBondContact O-CA 3.45Å; E624-Y627 PolarHBondContact O-N 3.02Å; E624-L628 PolarHBondContact O-N 2.85Å
625	L	94	Very high	93.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-50.1	-49.3	-169.2	173.5	169.3	0	0	0	113.2	F239 F571 Y581 V585 R611 A615 S621 Y627 L628	F239-L625 HydrophobicContact CD2-CD1 4.44Å; F239-L625 HydrophobicContact CE2-CD1 3.42Å; F239-L625 VanDerWaalsContact CE2-CD1 3.42Å; F239-L625 HydrophobicContact CZ-CD1 3.55Å; F571-L625 HydrophobicContact CD2-CD2 4.43Å; F571-L625 HydrophobicContact CE2-CD1 4.28Å; Y581-L625 HydrophobicContact CD1-CD2 3.36Å; Y581-L625 HydrophobicContact CE1-CD2 4Å; Y581-L625 HydrophobicContact CG-CD2 4.05Å; V585-L625 HydrophobicContact CG2-CD1 4.17Å; R611-L625 WeakPolarHBondContact CB-O 3.18Å; R611-L625 WeakPolarHBondContact CD-O 3.3Å; A615-L625 HydrophobicContact CB-CB 3.86Å; A615-L625 HydrophobicContact CB-CD1 3.61Å; A615-L625 HydrophobicContact CB-CG 3.62Å; S621-L625 VanDerWaalsContact O-CB 3.31Å; S621-L625 WeakPolarHBondContact O-CB 3.46Å; S621-L625 PolarHBondContact O-N 3.14Å; L625-Y627 PolarHBondContact O-N 3.45Å; L625-L628 PolarHBondContact O-N 3.4Å
626	P	97	Very high	93.9	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-64.5	-8	178.5	-23.9	35.5	0	0	0	115.1	K570 F571 Y581 R611 A622	K570-P626 HydrophobicContact CB-CB 4.02Å; K570-P626 HydrophobicContact CB-CG 4.44Å; K570-P626 HydrophobicContact CD-CB 3.73Å; K570-P626 WeakPolarHBondContact CE-O 3.45Å; K570-P626 HydrophobicContact CG-CB 3.78Å; K570-P626 PolarHBondContact NZ-O 3.2Å; F571-P626 HydrophobicContact CB-CG 3.9Å; F571-P626 HydrophobicContact CD2-CG 4.18Å; Y581-P626 HydrophobicContact CD2-CB 4.03Å; Y581-P626 HydrophobicContact CD2-CG 4.14Å; Y581-P626 HydrophobicContact CE1-CB 4.42Å; Y581-P626 HydrophobicContact CE2-CB 3.9Å; Y581-P626 HydrophobicContact CG-CB 4.36Å; Y581-P626 HydrophobicContact CG-CG 4.14Å; R611-P626 VanDerWaalsContact CZ-O 3.31Å; R611-P626 PolarHBondContact NE-O 3.05Å; R611-P626 PolarHBondContact NH1-O 2.78Å; A622-P626 WeakPolarHBondContact O-CD 3.46Å
627	Y	96.4	Very high	94.1	Very high	40 Å²	40	30.5 Å²	30.5	16%	0.157	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-118.1	-6.3	-176	-60.3	-77.3	0	0	0	114.2	K570 D623 E624 L625 Y629 H660 K663	K570-Y627 HydrophobicContact CB-CE2 4.22Å; K570-Y627 HydrophobicContact CD-CD1 4.1Å; K570-Y627 HydrophobicContact CD-CE1 3.38Å; K570-Y627 HydrophobicContact CD-CE2 3.94Å; K570-Y627 WeakPolarHBondContact CD-OH 3.32Å; D623-Y627 WeakPolarHBondContact O-CD2 3.43Å; E624-Y627 CarbonylContact O-C 3.59Å; E624-Y627 WeakPolarHBondContact O-CA 3.45Å; E624-Y627 PolarHBondContact O-N 3.02Å; L625-Y627 PolarHBondContact O-N 3.45Å; Y627-Y629 PolarHBondContact O-N 3.43Å; Y627-H660 PolarHBondContact O-CE1 3.29Å; Y627-H660 VanDerWaalsContact O-CE1 3.23Å; Y627-K663 HydrophobicContact CD1-CB 3.94Å; Y627-K663 HydrophobicContact CD2-CB 4.42Å; Y627-K663 HydrophobicContact CE1-CB 3.7Å; Y627-K663 HydrophobicContact CE1-CG 4.24Å; Y627-K663 HydrophobicContact CE2-CB 4.19Å; Y627-K663 HydrophobicContact CE2-CG 4.17Å; Y627-K663 HydrophobicContact CG-CB 4.29Å
628	L	95.3	Very high	94.2	Very high	25 Å²	25	30.4 Å²	30.4	13%	0.131	15%	0.148	C	C	.	.			trans	-52.2	142.1	177	-62.8	175.3	0	0	0	111.9	R611 F614 A615 K620 E624 L625 V630	R611-L628 HydrophobicContact CG-CB 4.2Å; R611-L628 PolarHBondContact NE-O 3.22Å; R611-L628 PolarHBondContact NH2-O 2.93Å; F614-L628 HydrophobicContact CD1-CB 4.38Å; F614-L628 HydrophobicContact CD1-CD1 4.27Å; A615-L628 HydrophobicContact CB-CD1 3.79Å; K620-L628 HydrophobicContact CB-CD1 4.34Å; K620-L628 HydrophobicContact CG-CD1 4.36Å; K620-L628 HydrophobicContact CG-CD2 4.21Å; E624-L628 PolarHBondContact O-N 2.85Å; L625-L628 PolarHBondContact O-N 3.4Å; L628-V630 PolarHBondContact O-N 3.01Å
629	Y	95	Very high	94.3	Very high	115 Å²	115	29.6 Å²	29.6	45%	0.451	15%	0.145	S	C	.	.			trans	-84.2	114.3	-175.6	-167.5	-108.9	0	0	0	110.7	Y627 P631 H660	Y627-Y629 PolarHBondContact O-N 3.43Å; Y629-P631 HydrophobicContact CD1-CG 4.04Å; Y629-P631 HydrophobicContact CE1-CB 3.73Å; Y629-P631 HydrophobicContact CE1-CG 3.57Å; Y629-H660 HydrophobicContact CD2-CB 4.03Å; Y629-H660 AromaticContact CD2-CG 3.75Å; Y629-H660 AromaticContact CD2-ND1 3.51Å; Y629-H660 HydrophobicContact CE2-CB 3.79Å; Y629-H660 AromaticContact CE2-CG 3.96Å
630	V	96.6	Very high	94.1	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.018	14%	0.141	C	C	.	.			trans	-132.7	82.4	179.1	-171.7	0	0	0	0	108.3	R471 L610 R611 F614 L628 I636	R471-V630 WeakPolarHBondContact CD-O 3.41Å; R471-V630 HydrophobicContact CG-CG1 4.04Å; R471-V630 PolarHBondContact NH1-O 3.11Å; L610-V630 HydrophobicContact CB-CG1 3.96Å; L610-V630 HydrophobicContact CD1-CG1 3.99Å; R611-V630 HydrophobicContact CG-CG2 4.04Å; F614-V630 HydrophobicContact CD1-CG2 4.25Å; L628-V630 PolarHBondContact O-N 3.01Å; V630-I636 HydrophobicContact CG1-CD1 4.08Å
631	P	97.5	Very high	93.5	Very high	17 Å²	17	27.2 Å²	27.2	11%	0.11	14%	0.138	C	C	.	.			trans	-71.7	163.9	-175.1	28.9	-33.9	0	0	0	112.3	Y629 T634	Y629-P631 HydrophobicContact CD1-CG 4.04Å; Y629-P631 HydrophobicContact CE1-CB 3.73Å; Y629-P631 HydrophobicContact CE1-CG 3.57Å; P631-T634 HydrophobicContact CG-CG2 4.23Å
632	L	98.6	Very high	92.5	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.052	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	161.4	166.9	-77.3	172.1	0	0	0	111.1	R471 H472 E474 N478 T634 A656 V657	R471-L632 HydrophobicContact CB-CD2 4.09Å; H472-L632 VanDerWaalsContact O-CD2 3.26Å; H472-L632 WeakPolarHBondContact O-CD2 3.34Å; E474-L632 HydrophobicContact CB-CD1 4.09Å; E474-L632 HydrophobicContact CG-CD1 4.3Å; N478-L632 HydrophobicContact CB-CD1 4.33Å; L632-T634 PolarHBondContact O-N 3.47Å; L632-T634 PolarHBondContact O-OG1 3.22Å; L632-T634 VanDerWaalsContact O-OG1 3.05Å; L632-A656 HydrophobicContact CB-CB 3.48Å; L632-A656 VanDerWaalsContact CB-CB 3.48Å; L632-A656 HydrophobicContact CD1-CB 3.81Å; L632-A656 HydrophobicContact CG-CB 4.28Å; L632-V657 HydrophobicContact CD1-CG2 4.27Å
633	H	98.5	Very high	91.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	23.8	172	-57.8	173.2	0	0	0	116.2	E474 Y496 L652 I654 D655	E474-H633 PolarHBondContact N-NE2 3.2Å; Y496-H633 WeakPolarHBondContact CB-CD2 3.45Å; Y496-H633 WeakPolarHBondContact CB-NE2 3.15Å; Y496-H633 AromaticContact CD1-CD2 3.63Å; Y496-H633 HydrophobicContact CD2-CB 3.54Å; Y496-H633 AromaticContact CD2-CD2 3.72Å; Y496-H633 AromaticContact CD2-CG 3.68Å; Y496-H633 VanDerWaalsContact CE2-C 3.42Å; Y496-H633 HydrophobicContact CE2-CB 3.9Å; Y496-H633 WeakPolarHBondContact CE2-O 3.23Å; Y496-H633 HydrophobicContact CG-CB 4.05Å; Y496-H633 AromaticContact CG-CD2 3.25Å; Y496-H633 AromaticContact CG-CG 3.68Å; Y496-H633 AromaticContact CG-NE2 3.88Å; H633-L652 PolarHBondContact O-N 3.04Å; H633-I654 WeakPolarHBondContact CB-O 3.47Å; H633-I654 PolarHBondContact ND1-O 3.14Å; H633-D655 PolarHBondContact CE1-O 2.88Å; H633-D655 VanDerWaalsContact CE1-O 3.23Å; H633-D655 PolarHBondContact ND1-O 3.19Å; H633-D655 VanDerWaalsContact ND1-O 3.17Å
634	T	98.6	Very high	91.1	Very high	11 Å²	11	27.1 Å²	27.1	7%	0.067	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.1	-177.4	-56.2	0	0	0	0	109.7	T470 P631 L632 H649 I650	T470-T634 WeakPolarHBondContact CB-O 3.42Å; T470-T634 PolarHBondContact OG1-O 2.83Å; P631-T634 HydrophobicContact CG-CG2 4.23Å; L632-T634 PolarHBondContact O-N 3.47Å; L632-T634 PolarHBondContact O-OG1 3.22Å; L632-T634 VanDerWaalsContact O-OG1 3.05Å; T634-H649 HydrophobicContact CG2-CB 4.31Å; T634-I650 WeakPolarHBondContact CA-O 3.4Å
635	V	98.4	Very high	90.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.7	172.1	-175.1	0	0	0	0	108.5	Y468 L500 F503 I650	Y468-V635 HydrophobicContact CD1-CG1 3.85Å; Y468-V635 HydrophobicContact CG-CG1 4.47Å; L500-V635 HydrophobicContact CD1-CG2 3.61Å; F503-V635 HydrophobicContact CD1-CG2 4.39Å; F503-V635 HydrophobicContact CE1-CB 4.47Å; F503-V635 HydrophobicContact CE1-CG1 4.28Å; F503-V635 HydrophobicContact CE1-CG2 4.34Å; V635-I650 HydrophobicContact CB-CB 4.37Å; V635-I650 PolarHBondContact N-O 2.79Å; V635-I650 PolarHBondContact O-N 2.97Å
636	I	98	Very high	90.7	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	104	173.5	-58.4	171.9	0	0	0	106.7	L469 F614 V630 L638 V647	L469-I636 HydrophobicContact CB-CB 4.33Å; L469-I636 PolarHBondContact N-O 2.89Å; L469-I636 PolarHBondContact O-N 3.44Å; F614-I636 HydrophobicContact CD2-CG2 4.32Å; F614-I636 HydrophobicContact CE1-CD1 4.28Å; F614-I636 HydrophobicContact CE2-CG2 3.72Å; F614-I636 HydrophobicContact CZ-CD1 4.4Å; F614-I636 HydrophobicContact CZ-CG2 4.01Å; V630-I636 HydrophobicContact CG1-CD1 4.08Å; I636-L638 HydrophobicContact CG2-CD2 3.88Å; I636-L638 HydrophobicContact CG2-CG 4.36Å; I636-V647 HydrophobicContact CG2-CG1 3.77Å
637	K	97.5	Very high	90.5	Very high	37 Å²	37	33.6 Å²	33.6	16%	0.161	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.1	177.8	175.1	-168.3	168.5	-147.6	0	108.9	T466 Y468 V647 E648 I650	T466-K637 HydrophobicContact CG2-CD 4.18Å; T466-K637 HydrophobicContact CG2-CG 3.45Å; T466-K637 VanDerWaalsContact CG2-CG 3.45Å; Y468-K637 HydrophobicContact CD1-CB 4.05Å; Y468-K637 HydrophobicContact CD1-CG 4.11Å; Y468-K637 HydrophobicContact CE1-CB 4.14Å; Y468-K637 HydrophobicContact CE1-CD 4.09Å; Y468-K637 HydrophobicContact CE1-CG 3.79Å; K637-V647 WeakPolarHBondContact O-CA 3.41Å; K637-E648 HydrophobicContact CB-CB 4.19Å; K637-E648 HydrophobicContact CD-CB 4.39Å; K637-E648 WeakPolarHBondContact CD-OE2 3.37Å; K637-E648 WeakPolarHBondContact CE-OE1 3.37Å; K637-E648 PolarHBondContact N-O 2.87Å; K637-E648 IonicContact NZ-OE1 3.21Å; K637-E648 IonicContact NZ-OE2 3.47Å; K637-E648 PolarHBondContact NZ-OE1 3.43Å; K637-E648 PolarHBondContact O-N 2.82Å; K637-E648 PolarHBondContact NZ-OE2 2.79Å; K637-I650 HydrophobicContact CB-CD1 4.26Å; K637-I650 HydrophobicContact CD-CD1 4.37Å
638	L	95.3	Very high	90.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.5	-179.8	-61	-176.7	0	0	0	109.8	T466 I467 L469 F614 F617 I636 K646 V647	T466-L638 WeakPolarHBondContact CA-O 3.26Å; I467-L638 HydrophobicContact CB-CB 4.26Å; I467-L638 PolarHBondContact N-O 2.63Å; I467-L638 WeakPolarHBondContact O-CA 3.43Å; I467-L638 WeakPolarHBondContact O-CB 3.45Å; I467-L638 PolarHBondContact O-N 3.25Å; L469-L638 HydrophobicContact CD1-CD1 3.63Å; L469-L638 HydrophobicContact CG-CD1 3.89Å; F614-L638 HydrophobicContact CD2-CD2 4.05Å; F614-L638 HydrophobicContact CE2-CD2 3.85Å; F617-L638 HydrophobicContact CB-CD1 3.9Å; F617-L638 HydrophobicContact CD2-CD1 3.6Å; F617-L638 HydrophobicContact CE2-CD1 4.41Å; F617-L638 HydrophobicContact CG-CD1 3.84Å; I636-L638 HydrophobicContact CG2-CD2 3.88Å; I636-L638 HydrophobicContact CG2-CG 4.36Å; L638-K646 WeakPolarHBondContact CA-O 3.41Å; L638-V647 HydrophobicContact CD2-CB 4.47Å; L638-V647 HydrophobicContact CD2-CG1 4.13Å; L638-V647 HydrophobicContact CD2-CG2 3.99Å
639	T	91.1	Very high	90.6	Very high	33 Å²	33	39.1 Å²	39.1	20%	0.202	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	101.9	172.1	-49	0	0	0	0	108.7	C645 K646	T639-C645 VanDerWaalsContact C-SG 3.57Å; T639-K646 PolarHBondContact N-O 3.05Å; T639-K646 PolarHBondContact O-N 3.33Å
640	P	83.8	Confident	90.8	Very high	23 Å²	23	35.6 Å²	35.6	15%	0.149	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	141.8	175.9	-24.7	35.4	0	0	0	111.8	R465	R465-P640 WeakPolarHBondContact O-CD 3.41Å
641	V	78	Confident	90.8	Very high	39 Å²	39	42 Å²	42	24%	0.236	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	165.2	178	-68.2	0	0	0	0	110	E386 Y643 G644 K646	E386-V641 WeakPolarHBondContact OE1-CA 3.25Å; V641-Y643 PolarHBondContact O-N 2.98Å; V641-G644 PolarHBondContact N-O 2.87Å; V641-G644 PolarHBondContact O-N 2.98Å; V641-K646 HydrophobicContact CG1-CD 4.12Å; V641-K646 HydrophobicContact CG1-CG 4.13Å
642	A	65.5	Low	90.8	Very high	10 Å²	10	41.8 Å²	41.8	8%	0.083	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-22.6	-169	0	0	0	0	0	116.9	E386 V387	E386-A642 HydrophobicContact CG-CB 4.35Å; E386-A642 WeakPolarHBondContact OE1-CB 3.49Å; E386-A642 PolarHBondContact OE1-N 3.23Å; V387-A642 HydrophobicContact CB-CB 4.17Å; V387-A642 HydrophobicContact CG1-CB 3.68Å; V387-A642 HydrophobicContact CG2-CB 3.41Å; V387-A642 VanDerWaalsContact CG2-CB 3.41Å
643	Y	69.1	Low	90.7	Very high	104 Å²	104	47.2 Å²	47.2	41%	0.408	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	10.5	179	-57.4	-51.3	0	0	0	114.5	T267 K271 V387 K388 V641	T267-Y643 HydrophobicContact CG2-CE1 3.95Å; K271-Y643 HydrophobicContact CD-CD1 4.13Å; V387-Y643 HydrophobicContact CG1-CE1 3.97Å; V387-Y643 HydrophobicContact CG1-CE2 3.88Å; V387-Y643 VanDerWaalsContact CG1-CZ 3.48Å; V387-Y643 WeakPolarHBondContact CG1-OH 3.16Å; V387-Y643 PolarHBondContact O-OH 3.17Å; K388-Y643 PolarHBondContact NZ-OH 2.88Å; V641-Y643 PolarHBondContact O-N 2.98Å
644	G	78.1	Confident	90.7	Very high	27 Å²	27	48.7 Å²	48.7	28%	0.278	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	166.8	-139.7	-177.1	0	0	0	0	0	113.9	V641	V641-G644 PolarHBondContact N-O 2.87Å; V641-G644 PolarHBondContact O-N 2.98Å
645	C	85.8	Confident	90.6	Very high	24 Å²	24	53 Å²	53	16%	0.162	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	132.5	176.9	-166	0	0	0	0	110.7	L618 T639	L618-C645 HydrophobicContact CD2-CB 4.16Å; T639-C645 VanDerWaalsContact C-SG 3.57Å
646	K	89.8	Confident	90.6	Very high	132 Å²	132	54.6 Å²	54.6	57%	0.574	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	146.5	164.8	-66.7	176.4	176.4	174.5	0	109.1	L638 T639 V641	L638-K646 WeakPolarHBondContact CA-O 3.41Å; T639-K646 PolarHBondContact N-O 3.05Å; T639-K646 PolarHBondContact O-N 3.33Å; V641-K646 HydrophobicContact CG1-CD 4.12Å; V641-K646 HydrophobicContact CG1-CG 4.13Å
647	V	94.6	Very high	90.6	Very high	52 Å²	52	56.7 Å²	56.7	32%	0.315	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.4	-177.7	-168.7	0	0	0	0	109.3	F614 L618 I636 K637 L638	F614-V647 HydrophobicContact CE2-CG1 3.9Å; F614-V647 HydrophobicContact CE2-CG2 4.25Å; F614-V647 HydrophobicContact CZ-CG1 4.04Å; L618-V647 HydrophobicContact CD1-CG2 4.31Å; L618-V647 HydrophobicContact CD2-CG2 3.45Å; L618-V647 VanDerWaalsContact CD2-CG2 3.45Å; L618-V647 HydrophobicContact CG-CG2 4.48Å; I636-V647 HydrophobicContact CG2-CG1 3.77Å; K637-V647 WeakPolarHBondContact O-CA 3.41Å; L638-V647 HydrophobicContact CD2-CB 4.47Å; L638-V647 HydrophobicContact CD2-CG1 4.13Å; L638-V647 HydrophobicContact CD2-CG2 3.99Å
648	E	96.8	Very high	90.5	Very high	81 Å²	81	59.6 Å²	59.6	38%	0.379	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.5	171.3	-65.7	157.6	-115.6	0	0	108.4	K637	K637-E648 HydrophobicContact CB-CB 4.19Å; K637-E648 HydrophobicContact CD-CB 4.39Å; K637-E648 WeakPolarHBondContact CD-OE2 3.37Å; K637-E648 WeakPolarHBondContact CE-OE1 3.37Å; K637-E648 PolarHBondContact N-O 2.87Å; K637-E648 IonicContact NZ-OE1 3.21Å; K637-E648 IonicContact NZ-OE2 3.47Å; K637-E648 PolarHBondContact NZ-OE1 3.43Å; K637-E648 PolarHBondContact O-N 2.82Å; K637-E648 PolarHBondContact NZ-OE2 2.79Å
649	H	96.4	Very high	90.5	Very high	99 Å²	99	61.1 Å²	61.1	46%	0.458	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112.6	176.7	-76.1	-107	0	0	0	109.9	F614 T634	F614-H649 AromaticContact CZ-NE2 3.86Å; T634-H649 HydrophobicContact CG2-CB 4.31Å
650	I	98	Very high	90.7	Very high	41 Å²	41	61.9 Å²	61.9	21%	0.21	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	89.6	-175	-52.6	174.5	0	0	0	107.9	F503 T634 V635 K637 L652	F503-I650 HydrophobicContact CE2-CD1 4.16Å; F503-I650 HydrophobicContact CE2-CG2 3.98Å; F503-I650 HydrophobicContact CZ-CD1 3.66Å; F503-I650 HydrophobicContact CZ-CG2 4.23Å; T634-I650 WeakPolarHBondContact CA-O 3.4Å; V635-I650 HydrophobicContact CB-CB 4.37Å; V635-I650 PolarHBondContact N-O 2.79Å; V635-I650 PolarHBondContact O-N 2.97Å; K637-I650 HydrophobicContact CB-CD1 4.26Å; K637-I650 HydrophobicContact CD-CD1 4.37Å; I650-L652 HydrophobicContact CG2-CD2 4.23Å; I650-L652 PolarHBondContact O-N 3.29Å
651	K	97.9	Very high	91.1	Very high	137 Å²	137	63.9 Å²	63.9	60%	0.596	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	122.4	173.9	-178.4	-179.9	175.2	-171.7	0	108.8	D655	K651-D655 IonicContact NZ-OD1 3.74Å
652	L	97.4	Very high	91.8	Very high	13 Å²	13	66 Å²	66	7%	0.068	35%	0.35	C	S	.	.			trans	-80.3	151.5	171	-57.8	-166.3	0	0	0	109.6	Y496 A499 L500 F503 H633 I650 I654	Y496-L652 HydrophobicContact CD2-CB 4.15Å; Y496-L652 HydrophobicContact CD2-CD1 4Å; Y496-L652 HydrophobicContact CD2-CG 4.4Å; Y496-L652 HydrophobicContact CE2-CB 4.02Å; Y496-L652 HydrophobicContact CE2-CD1 3.52Å; Y496-L652 HydrophobicContact CE2-CG 3.84Å; A499-L652 HydrophobicContact CB-CB 4.46Å; A499-L652 HydrophobicContact CB-CD1 3.8Å; L500-L652 HydrophobicContact CB-CD1 4.33Å; F503-L652 HydrophobicContact CB-CD1 4.35Å; F503-L652 HydrophobicContact CB-CD2 4.33Å; F503-L652 HydrophobicContact CD2-CD2 4.39Å; F503-L652 HydrophobicContact CG-CD2 4.29Å; H633-L652 PolarHBondContact O-N 3.04Å; I650-L652 HydrophobicContact CG2-CD2 4.23Å; I650-L652 PolarHBondContact O-N 3.29Å; L652-I654 PolarHBondContact O-N 3.36Å
653	P	96.1	Very high	92.9	Very high	125 Å²	125	69.9 Å²	69.9	81%	0.812	37%	0.365	S	S	*	.	S	Bend	trans	-79	44.9	-169.5	33.9	-38.3	0	0	0	113.6
654	I	98.1	Very high	93.7	Very high	31 Å²	31	66.7 Å²	66.7	16%	0.159	36%	0.356	C	S	.	.			trans	-124.2	118.7	177.7	-50.3	-60.5	0	0	0	108	R492 Q495 A499 H633 L652	R492-I654 HydrophobicContact CB-CG2 4.17Å; R492-I654 WeakPolarHBondContact O-CG2 3.45Å; Q495-I654 HydrophobicContact CB-CD1 3.96Å; Q495-I654 HydrophobicContact CB-CG1 4.35Å; Q495-I654 HydrophobicContact CB-CG2 3.97Å; A499-I654 HydrophobicContact CB-CG1 4.25Å; H633-I654 WeakPolarHBondContact CB-O 3.47Å; H633-I654 PolarHBondContact ND1-O 3.14Å; L652-I654 PolarHBondContact O-N 3.36Å
655	D	97.2	Very high	94	Very high	101 Å²	101	75.3 Å²	75.3	54%	0.54	39%	0.386	S	S	.	.			trans	-69.4	157.4	179.6	-70.5	-44.2	0	0	0	113.4	R492 H633 K651	R492-D655 WeakPolarHBondContact CD-O 3.38Å; R492-D655 PolarHBondContact NE-O 3.14Å; H633-D655 PolarHBondContact CE1-O 2.88Å; H633-D655 VanDerWaalsContact CE1-O 3.23Å; H633-D655 PolarHBondContact ND1-O 3.19Å; H633-D655 VanDerWaalsContact ND1-O 3.17Å; K651-D655 IonicContact NZ-OD1 3.74Å
656	A	97.8	Very high	93.4	Very high	34 Å²	34	77 Å²	77	28%	0.281	39%	0.393	S	S	.	.			trans	-148.6	162.9	176.2	0	0	0	0	0	110	E474 L632	E474-A656 HydrophobicContact CB-CB 4.48Å; E474-A656 WeakPolarHBondContact OE1-CA 3.36Å; L632-A656 HydrophobicContact CB-CB 3.48Å; L632-A656 VanDerWaalsContact CB-CB 3.48Å; L632-A656 HydrophobicContact CD1-CB 3.81Å; L632-A656 HydrophobicContact CG-CB 4.28Å
657	V	97.3	Very high	91.6	Very high	47 Å²	47	76.9 Å²	76.9	29%	0.285	41%	0.406	S	S	.	.			trans	-65.4	150.5	163.3	-64.1	0	0	0	0	111.3	E474 N478 L479 L632 T659	E474-V657 PolarHBondContact OE1-N 3.36Å; N478-V657 HydrophobicContact CB-CG2 3.86Å; L479-V657 HydrophobicContact CD2-CG1 4.05Å; L632-V657 HydrophobicContact CD1-CG2 4.27Å; V657-T659 HydrophobicContact CG2-CG2 4.12Å
658	D	96.6	Very high	89.7	Confident	98 Å²	98	78 Å²	78	52%	0.524	43%	0.428	S	S	.	.			trans	-82.2	138.8	163.7	-162.7	-1	0	0	0	110	H660	D658-H660 VanDerWaalsContact OD1-CB 3.25Å; D658-H660 WeakPolarHBondContact OD1-CB 3.39Å; D658-H660 PolarHBondContact OD1-N 2.85Å
659	T	95.4	Very high	87.6	Confident	32 Å²	32	77.6 Å²	77.6	20%	0.196	43%	0.428	C	S	.	.			trans	-122	8.6	175.8	64.9	0	0	0	0	111.9	R471 N478 Q607 V657	R471-T659 VanDerWaalsContact CZ-OG1 3.29Å; R471-T659 PolarHBondContact NH1-OG1 3.13Å; R471-T659 PolarHBondContact NH2-OG1 3.02Å; N478-T659 HydrophobicContact CB-CG2 4.27Å; Q607-T659 PolarHBondContact NE2-O 2.88Å; Q607-T659 PolarHBondContact OE1-O 2.91Å; Q607-T659 VanDerWaalsContact OE1-O 3.11Å; Q607-T659 PolarHBondContact OE1-OG1 3.25Å; V657-T659 HydrophobicContact CG2-CG2 4.12Å
660	H	94.9	Very high	85.2	Confident	49 Å²	49	79.4 Å²	79.4	23%	0.227	45%	0.446	C	S	.	.			trans	-73.4	137.5	171.4	-179.1	95.2	0	0	0	110.5	R611 Y627 Y629 D658 P662	R611-H660 PolarHBondContact NH2-ND1 2.96Å; Y627-H660 PolarHBondContact O-CE1 3.29Å; Y627-H660 VanDerWaalsContact O-CE1 3.23Å; Y629-H660 HydrophobicContact CD2-CB 4.03Å; Y629-H660 AromaticContact CD2-CG 3.75Å; Y629-H660 AromaticContact CD2-ND1 3.51Å; Y629-H660 HydrophobicContact CE2-CB 3.79Å; Y629-H660 AromaticContact CE2-CG 3.96Å; D658-H660 VanDerWaalsContact OD1-CB 3.25Å; D658-H660 WeakPolarHBondContact OD1-CB 3.39Å; D658-H660 PolarHBondContact OD1-N 2.85Å; H660-P662 WeakPolarHBondContact NE2-CA 3.36Å
661	R	92.9	Very high	82.9	Confident	66 Å²	66	80.7 Å²	80.7	25%	0.249	46%	0.459	C	S	.	.			trans	-126.6	120.9	166.4	-174.8	175.8	174	-87.4	16.5	108.5	D567	D567-R661 IonicContact OD1-CZ 2.84Å; D567-R661 IonicContact OD1-NH1 3.37Å; D567-R661 PolarHBondContact OD1-NH1 3.12Å; D567-R661 IonicContact OD1-NH2 3.44Å; D567-R661 PolarHBondContact OD1-NH2 2.74Å; D567-R661 IonicContact OD2-CZ 3.58Å; D567-R661 IonicContact OD2-NH1 2.96Å; D567-R661 PolarHBondContact OD2-NH1 3.04Å; D567-R661 IonicContact OD2-NH2 3.55Å; D567-R661 PolarHBondContact OD2-NH2 2.79Å
662	P	91.4	Very high	80	Confident	83 Å²	83	82.4 Å²	82.4	54%	0.539	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-68.8	171.8	-176.4	28.9	-35.6	0	0	0	112.1	H660	H660-P662 WeakPolarHBondContact NE2-CA 3.36Å
663	K	88.8	Confident	77.2	Confident	92 Å²	92	87 Å²	87	40%	0.4	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-64.6	124.3	169.9	-173.8	-175.6	172.5	-169.6	0	108.7	Y627 D669 S671	Y627-K663 HydrophobicContact CD1-CB 3.94Å; Y627-K663 HydrophobicContact CD2-CB 4.42Å; Y627-K663 HydrophobicContact CE1-CB 3.7Å; Y627-K663 HydrophobicContact CE1-CG 4.24Å; Y627-K663 HydrophobicContact CE2-CB 4.19Å; Y627-K663 HydrophobicContact CE2-CG 4.17Å; Y627-K663 HydrophobicContact CG-CB 4.29Å; K663-D669 IonicContact NZ-OD2 2.75Å; K663-D669 PolarHBondContact NZ-OD2 2.84Å; K663-D669 IonicContact NZ-OD1 3.64Å; K663-D669 WeakPolarHBondContact CE-OD2 3.36Å; K663-S671 PolarHBondContact NZ-OG 2.9Å; K663-S671 VanDerWaalsContact NZ-OG 3.1Å
664	P	86.7	Confident	74.2	Confident	36 Å²	36	84.1 Å²	84.1	23%	0.234	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-68.4	144.3	174.3	29.9	-34.5	0	0	0	110.1	D567 I666	D567-P664 HydrophobicContact CB-CG 3.84Å; P664-I666 HydrophobicContact CG-CG1 4.39Å; P664-I666 PolarHBondContact O-N 3.24Å
665	K	83.2	Confident	71.2	Confident	209 Å²	209	90.5 Å²	90.5	91%	0.909	53%	0.527	S	S	*	.			trans	-77.9	101.2	173.1	-65.1	-172.7	178	-173.9	0	109.1
666	I	73.3	Confident	68.1	Low	58 Å²	58	91.3 Å²	91.3	30%	0.297	53%	0.531	S	S	.	.			trans	-86.4	126.2	179.4	-57.9	178.2	0	0	0	108.8	V568 P664 G668 D669	V568-I666 HydrophobicContact CG2-CD1 4.05Å; P664-I666 HydrophobicContact CG-CG1 4.39Å; P664-I666 PolarHBondContact O-N 3.24Å; I666-G668 PolarHBondContact O-N 3.29Å; I666-D669 VanDerWaalsContact O-N 3.11Å; I666-D669 PolarHBondContact O-N 2.67Å; I666-D669 HydrophobicContact CB-CB 4.25Å; I666-D669 WeakPolarHBondContact O-CB 3.34Å
667	P	52.3	Low	64.9	Low	130 Å²	130	93 Å²	93	84%	0.844	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	122.7	176.9	-24.7	34.8	0	0	0	111.7
668	G	55.3	Low	61.8	Low	76 Å²	76	98.8 Å²	98.8	78%	0.784	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	95.1	-4.5	-177.9	0	0	0	0	0	115.5	I666 V670	I666-G668 PolarHBondContact O-N 3.29Å; G668-V670 PolarHBondContact O-N 3.37Å
669	D	52.5	Low	58.7	Low	72 Å²	72	98.8 Å²	98.8	39%	0.385	59%	0.587	S	S	.	*			trans	-75.1	103.9	171	-171.7	-2	0	0	0	110.2	K663 I666 S671	K663-D669 IonicContact NZ-OD2 2.75Å; K663-D669 PolarHBondContact NZ-OD2 2.84Å; K663-D669 IonicContact NZ-OD1 3.64Å; K663-D669 WeakPolarHBondContact CE-OD2 3.36Å; I666-D669 VanDerWaalsContact O-N 3.11Å; I666-D669 PolarHBondContact O-N 2.67Å; I666-D669 HydrophobicContact CB-CB 4.25Å; I666-D669 WeakPolarHBondContact O-CB 3.34Å; D669-S671 VanDerWaalsContact C-N 3.25Å; D669-S671 PolarHBondContact O-N 3.12Å; D669-S671 WeakPolarHBondContact OD1-CB 3.32Å; D669-S671 PolarHBondContact OD1-N 3.26Å; D669-S671 VanDerWaalsContact OD1-N 3.12Å; D669-S671 PolarHBondContact OD1-OG 2.82Å
670	V	46.8	Very low	55.5	Low	137 Å²	137	99.9 Å²	99.9	83%	0.83	61%	0.606	S	S	*	*			trans	-89.6	29.2	177.9	-66.6	0	0	0	0	112.8	G668 E672	G668-V670 PolarHBondContact O-N 3.37Å; V670-E672 PolarHBondContact O-N 2.89Å
671	S	48.7	Very low	52.2	Low	68 Å²	68	106.1 Å²	106.1	48%	0.476	64%	0.635	S	S	.	*			trans	-62.1	104.8	161	69.3	0	0	0	0	109.5	K663 D669	K663-S671 PolarHBondContact NZ-OG 2.9Å; K663-S671 VanDerWaalsContact NZ-OG 3.1Å; D669-S671 VanDerWaalsContact C-N 3.25Å; D669-S671 PolarHBondContact O-N 3.12Å; D669-S671 WeakPolarHBondContact OD1-CB 3.32Å; D669-S671 PolarHBondContact OD1-N 3.26Å; D669-S671 VanDerWaalsContact OD1-N 3.12Å; D669-S671 PolarHBondContact OD1-OG 2.82Å
672	E	37.9	Very low	49.3	Very low	173 Å²	173	111.3 Å²	111.3	81%	0.808	67%	0.667	S	S	*	*			trans	-55.2	149.4	174.1	-69.8	-164.4	154.7	0	0	111.4	V670 G674	V670-E672 PolarHBondContact O-N 2.89Å; E672-G674 PolarHBondContact O-N 3.09Å; E672-G674 VanDerWaalsContact C-N 3.28Å
673	P	38.1	Very low	46.3	Very low	109 Å²	109	112.9 Å²	112.9	71%	0.708	67%	0.674	S	S	*	*			trans	-69.3	84.8	175.2	29.8	-34.8	0	0	0	110.4	L675	P673-L675 PolarHBondContact O-N 3.19Å
674	G	34	Very low	43.4	Very low	66 Å²	66	111.4 Å²	111.4	68%	0.68	68%	0.679	S	S	*	*			trans	-69.4	87.9	-173.6	0	0	0	0	0	113.3	E672 D676	E672-G674 PolarHBondContact O-N 3.09Å; E672-G674 VanDerWaalsContact C-N 3.28Å; G674-D676 PolarHBondContact O-N 2.96Å
675	L	34	Very low	40.6	Very low	165 Å²	165	115.9 Å²	115.9	86%	0.864	71%	0.709	S	S	*	*			trans	54.3	46	170.4	-77.5	163.7	0	0	0	114.5	P673 G677	P673-L675 PolarHBondContact O-N 3.19Å; L675-G677 PolarHBondContact O-N 2.81Å
676	D	32.4	Very low	38.1	Very low	117 Å²	117	113.5 Å²	113.5	63%	0.626	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-62.8	14.1	167.3	-70.5	-51.5	0	0	0	113.9	G674 L678 S679	G674-D676 PolarHBondContact O-N 2.96Å; D676-L678 PolarHBondContact O-N 3.22Å; D676-S679 PolarHBondContact O-N 2.68Å; D676-S679 PolarHBondContact O-OG 3.11Å; D676-S679 VanDerWaalsContact O-OG 3.12Å
677	G	30.3	Very low	36.1	Very low	69 Å²	69	114.1 Å²	114.1	71%	0.711	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-75.2	3.1	175.1	0	0	0	0	0	115.1	L675	L675-G677 PolarHBondContact O-N 2.81Å
678	L	31.3	Very low	35	Very low	169 Å²	169	114.9 Å²	114.9	89%	0.885	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-118.3	19.9	171	-71	177.8	0	0	0	113.3	D676 G680	D676-L678 PolarHBondContact O-N 3.22Å; L678-G680 PolarHBondContact O-N 3.34Å
679	S	33	Very low	33.6	Very low	98 Å²	98	114.3 Å²	114.3	69%	0.685	72%	0.722	S	S	*	*			trans	-71.2	66.5	149.3	66.6	0	0	0	0	109.2	D676 E681	D676-S679 PolarHBondContact O-N 2.68Å; D676-S679 PolarHBondContact O-OG 3.11Å; D676-S679 VanDerWaalsContact O-OG 3.12Å; S679-E681 PolarHBondContact O-N 2.99Å
680	G	27.9	Very low	32.5	Very low	56 Å²	56	120.9 Å²	120.9	58%	0.577	75%	0.748	S	S	*	*			trans	-59.7	128.1	177.1	0	0	0	0	0	109.6	L678 L682	L678-G680 PolarHBondContact O-N 3.34Å; G680-L682 PolarHBondContact O-N 3.31Å
681	E	26.1	Very low	31.4	Very low	179 Å²	179	120.2 Å²	120.2	84%	0.836	74%	0.744	S	S	*	*			trans	-57.6	111.9	170	-69.8	-174.9	115	0	0	108.3	S679 V683	S679-E681 PolarHBondContact O-N 2.99Å; E681-V683 HydrophobicContact CB-CG2 4.05Å; E681-V683 PolarHBondContact O-N 2.81Å
682	L	30.7	Very low	30.3	Very low	176 Å²	176	124.5 Å²	124.5	92%	0.921	76%	0.76	S	S	*	*			trans	-75	65.7	169.3	-75.5	170.5	0	0	0	109	G680 A684	G680-L682 PolarHBondContact O-N 3.31Å; L682-A684 PolarHBondContact O-N 2.81Å
683	V	28.4	Very low	29.7	Very low	115 Å²	115	123.2 Å²	123.2	70%	0.697	76%	0.758	S	S	*	*			trans	-53.6	126.7	162.9	-178.9	0	0	0	0	107	E681	E681-V683 HydrophobicContact CB-CG2 4.05Å; E681-V683 PolarHBondContact O-N 2.81Å
684	A	28.1	Very low	29	Very low	61 Å²	61	123.2 Å²	123.2	50%	0.504	76%	0.755	S	S	.	*			trans	-59.3	135.7	179.7	0	0	0	0	0	109.9	L682 D686	L682-A684 PolarHBondContact O-N 2.81Å; A684-D686 PolarHBondContact O-N 2.82Å
685	P	28.5	Very low	28.6	Very low	131 Å²	131	123.4 Å²	123.4	85%	0.851	76%	0.757	S	S	*	*			trans	-76.1	69.5	176.7	31.8	-35.2	0	0	0	110.8	G687	P685-G687 PolarHBondContact O-N 3.33Å
686	D	31.4	Very low	28.2	Very low	158 Å²	158	122.1 Å²	122.1	85%	0.845	75%	0.751	S	S	*	*			trans	-70.5	76.3	175.9	-76.8	-6.5	0	0	0	110.3	A684	A684-D686 PolarHBondContact O-N 2.82Å
687	G	29.7	Very low	28	Very low	72 Å²	72	123.5 Å²	123.5	74%	0.742	76%	0.759	S	S	*	*			trans	-113.8	10.7	-169.7	0	0	0	0	0	115.7	P685	P685-G687 PolarHBondContact O-N 3.33Å
688	V	30.3	Very low	27.9	Very low	145 Å²	145	126.5 Å²	126.5	88%	0.879	76%	0.763	S	S	*	*	S	Bend	trans	-135.8	119.5	-177.6	-174.9	0	0	0	0	112.5
689	G	26.3	Very low	27.6	Very low	64 Å²	64	122.7 Å²	122.7	66%	0.66	76%	0.756	S	S	*	*			trans	80.2	103.4	154.4	0	0	0	0	0	117.1	V691	G689-V691 PolarHBondContact O-N 3.42Å
690	K	28.4	Very low	27.3	Very low	211 Å²	211	124.7 Å²	124.7	92%	0.917	76%	0.764	S	S	*	*			trans	-63.5	101.8	157.3	-74.7	-176.4	175.9	-178	0	109.6	L692	K690-L692 PolarHBondContact O-N 3.01Å
691	V	24.1	Very low	27.2	Very low	123 Å²	123	126.8 Å²	126.8	75%	0.745	78%	0.776	S	S	*	*			trans	-82.9	105.7	162.2	-176.7	0	0	0	0	107.9	G689 I693	G689-V691 PolarHBondContact O-N 3.42Å; V691-I693 HydrophobicContact CG1-CG1 3.99Å; V691-I693 VanDerWaalsContact O-N 3.14Å; V691-I693 PolarHBondContact O-N 3.14Å
692	L	24.7	Very low	27.3	Very low	157 Å²	157	124 Å²	124	82%	0.822	77%	0.771	S	S	*	*			trans	-68.9	102.8	166.3	-92.5	155.1	0	0	0	108.6	K690	K690-L692 PolarHBondContact O-N 3.01Å
693	I	25.1	Very low	27.2	Very low	147 Å²	147	123.3 Å²	123.3	75%	0.754	77%	0.769	S	S	*	*			trans	-96.1	104.2	157.8	-58.3	-174.7	0	0	0	106.6	V691	V691-I693 HydrophobicContact CG1-CG1 3.99Å; V691-I693 VanDerWaalsContact O-N 3.14Å; V691-I693 PolarHBondContact O-N 3.14Å
694	V	25.1	Very low	27	Very low	109 Å²	109	121 Å²	121	66%	0.661	77%	0.769	S	S	*	*			trans	-71.7	122.8	161.6	177.7	0	0	0	0	106.4
695	G	24.3	Very low	27	Very low	70 Å²	70	126.7 Å²	126.7	72%	0.722	79%	0.79	S	S	*	*			trans	-123.7	100.1	175.3	0	0	0	0	0	109
696	D	26.3	Very low	27	Very low	137 Å²	137	124.3 Å²	124.3	73%	0.733	79%	0.79	S	S	*	*			trans	-77.8	151	177.5	-65	-51.1	0	0	0	111.9
697	D	27.5	Very low	26.8	Very low	147 Å²	147	120.8 Å²	120.8	79%	0.786	79%	0.791	S	S	*	*			trans	62.4	119.2	149.8	-75.9	-15.8	0	0	0	123.9
698	V	28.1	Very low	26.7	Very low	131 Å²	131	127.3 Å²	127.3	79%	0.794	79%	0.793	S	S	*	*				69.8	107.2	126.8	-178.8	0	0	0	0	119.4
699	A	26.4	Very low	26.7	Very low	90 Å²	90	126.7 Å²	126.7	74%	0.744	79%	0.789	S	S	*	*				-175.8	121.9	107.7	0	0	0	0	0	115
700	T	26	Very low	26.8	Very low	139 Å²	139	129.4 Å²	129.4	85%	0.853	79%	0.789	S	S	*	*			trans	-6.9	134.1	155.1	53.6	0	0	0	0	122
701	A	26.6	Very low	27	Very low	101 Å²	101	125.6 Å²	125.6	84%	0.835	78%	0.783	S	S	*	*			trans	-163.8	99.1	130.1	0	0	0	0	0	114.1
702	T	27.7	Very low	27.2	Very low	120 Å²	120	128.4 Å²	128.4	74%	0.736	79%	0.788	S	S	*	*			trans	-21.5	157.7	163.8	50.9	0	0	0	0	122.9
703	N	27.7	Very low	27.4	Very low	162 Å²	162	125.2 Å²	125.2	87%	0.866	78%	0.784	S	S	*	*			trans	94	137.9	159.9	-54	-31.6	0	0	0	117.2
704	G	25.8	Very low	27.9	Very low	67 Å²	67	126.5 Å²	126.5	69%	0.691	79%	0.786	S	S	*	*			cis	158.6	127	-9.4	0	0	0	0	0	113.6
705	N	28.2	Very low	28.6	Very low	179 Å²	179	133.7 Å²	133.7	96%	0.957	81%	0.813	S	S	*	*			trans	61.4	153.5	-174.2	-63.9	-20.5	0	0	0	115.2
706	G	26.8	Very low	28.8	Very low	82 Å²	82	136.9 Å²	136.9	85%	0.845	82%	0.818	S	S	*	*			cis	152.3	110.9	-7.7	0	0	0	0	0	111.8
707	G	27.3	Very low	28.9	Very low	84 Å²	84	136.9 Å²	136.9	87%	0.866	82%	0.822	S	S	*	*			trans	176.6	116.7	178.2	0	0	0	0	0	111.7
708	R	27.3	Very low	29	Very low	208 Å²	208	136.3 Å²	136.3	79%	0.785	82%	0.824	S	S	*	*			trans	-122.4	120.9	-178.7	176.8	-176.2	177	167.3	3.7	109.3	D710	R708-D710 IonicContact CZ-OD2 3.36Å; R708-D710 IonicContact NE-OD2 2.84Å; R708-D710 PolarHBondContact NE-OD2 2.84Å; R708-D710 IonicContact NH2-OD2 2.97Å; R708-D710 PolarHBondContact NH2-OD2 2.97Å
709	V	30.9	Very low	29	Very low	133 Å²	133	136.6 Å²	136.6	81%	0.806	83%	0.826	S	S	*	*			trans	-138.5	110.2	168.2	-177.4	0	0	0	0	107.9	V711	V709-V711 HydrophobicContact CG1-CG2 4.23Å
710	D	29.1	Very low	29.2	Very low	120 Å²	120	139.6 Å²	139.6	64%	0.642	83%	0.831	S	S	*	*			trans	-88.7	122.1	173.7	-67.2	-67	0	0	0	108.9	R708	R708-D710 IonicContact CZ-OD2 3.36Å; R708-D710 IonicContact NE-OD2 2.84Å; R708-D710 PolarHBondContact NE-OD2 2.84Å; R708-D710 IonicContact NH2-OD2 2.97Å; R708-D710 PolarHBondContact NH2-OD2 2.97Å
711	V	32.1	Very low	29.4	Very low	131 Å²	131	139.6 Å²	139.6	79%	0.794	83%	0.83	S	S	*	*			trans	-135.6	141.1	164.5	-177.5	0	0	0	0	110	V709	V709-V711 HydrophobicContact CG1-CG2 4.23Å
712	Q	27.4	Very low	29.6	Very low	182 Å²	182	142.4 Å²	142.4	85%	0.85	83%	0.829	S	S	*	*			trans	-67.9	155.3	-164	-64.6	155.9	-58	0	0	115.1
713	A	30.3	Very low	29.8	Very low	90 Å²	90	144.1 Å²	144.1	74%	0.744	84%	0.836	S	S	*	*			trans	-80.9	159.4	163.6	0	0	0	0	0	111.9
714	H	34.6	Very low	30	Very low	174 Å²	174	142.6 Å²	142.6	81%	0.806	83%	0.834	S	S	*	*			trans	-155.4	125.2	148.8	-112	-73.5	0	0	0	111.6
715	Q	39.6	Very low	30.3	Very low	261 Å²	261	149.5 Å²	149.5	100%	1.22	85%	0.847	S	S	*	*			trans	49.7	0	163.8	-68.6	-179.9	-24.7	0	0	117.7

Retrieved 715 of 715 residues in 214.2 ms (Link to these results)

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