A0A096NV00_PAPAN Loading...

Myosin light chain kinase 2, skeletal/cardiac muscle

Implicated in the level of global muscle contraction and cardiac function. Phosphorylates a specific serine in the N-terminus of a myosin light chain.

AlphaFold DB , UniProt , Accession A0A096NV00, Species PAPAN (Papio anubis, Olive baboon), Gene MYLK2, Length 595 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	34.3	Very low	238 Å²	238	135.4 Å²	135.4	100%	1.172	82%	0.823	S	S	*	*				0	101.8	0	-51.9	176	-167.5	0	0	104.3
2	A	34.4	Very low	34.3	Very low	95 Å²	95	137.1 Å²	137.1	79%	0.785	82%	0.821	S	S	*	*			cis	60.1	130.7	41.6	0	0	0	0	0	110.9
3	T	37.1	Very low	33.9	Very low	123 Å²	123	141.2 Å²	141.2	76%	0.755	83%	0.826	S	S	*	*			cis	-127.2	148	21	39.1	0	0	0	0	112.5
4	E	46.3	Very low	33.6	Very low	162 Å²	162	141.9 Å²	141.9	76%	0.757	83%	0.825	S	S	*	*				61.8	142.5	79.8	-102.2	-176.1	-140.3	0	0	113.7
5	N	39.7	Very low	33.3	Very low	143 Å²	143	143.1 Å²	143.1	77%	0.765	83%	0.826	S	S	*	*			cis	-146.6	172.8	15.5	-100.7	-55.6	0	0	0	110.7
6	G	29.9	Very low	33	Very low	68 Å²	68	139.6 Å²	139.6	70%	0.701	81%	0.812	S	S	*	*			cis	-179.3	-176.6	2.3	0	0	0	0	0	111.6
7	A	33.8	Very low	32.9	Very low	102 Å²	102	139.1 Å²	139.1	84%	0.843	81%	0.812	S	S	*	*			trans	-144.7	165.3	-175	0	0	0	0	0	113.1
8	V	31.4	Very low	32.8	Very low	153 Å²	153	137.7 Å²	137.7	93%	0.927	80%	0.801	S	S	*	*			trans	-141.5	151	167.2	-173.7	0	0	0	0	109.6
9	E	33.7	Very low	32.7	Very low	176 Å²	176	139.4 Å²	139.4	82%	0.822	80%	0.797	S	S	*	*			trans	-130.6	-157	-164.8	-151.2	-169.3	172.5	0	0	112
10	L	30.2	Very low	32.8	Very low	165 Å²	165	136.9 Å²	136.9	86%	0.864	80%	0.795	S	S	*	*			trans	83.2	146.5	169.5	-45.6	177.9	0	0	0	117.5
11	G	28	Very low	33.6	Very low	64 Å²	64	135.9 Å²	135.9	66%	0.66	79%	0.792	S	S	*	*			cis	160.8	88	-10.7	0	0	0	0	0	117.5
12	I	33.5	Very low	33.7	Very low	156 Å²	156	134.6 Å²	134.6	80%	0.8	78%	0.78	S	S	*	*			trans	43.9	122.7	147.8	-32.3	177.8	0	0	0	121.1
13	Q	30	Very low	33.5	Very low	190 Å²	190	133.5 Å²	133.5	89%	0.888	78%	0.778	S	S	*	*				177.2	170.2	124	-96.9	167.7	92.7	0	0	116.2
14	N	28.7	Very low	34	Very low	151 Å²	151	134.1 Å²	134.1	81%	0.807	78%	0.784	S	S	*	*			trans	-101.4	162	-167.4	-62.6	-49.1	0	0	0	114.8
15	L	29.9	Very low	33.5	Very low	160 Å²	160	131.7 Å²	131.7	84%	0.838	79%	0.792	S	S	*	*				170.7	135.3	119.2	-92.9	158.5	0	0	0	117.4
16	S	28.6	Very low	33.1	Very low	88 Å²	88	128 Å²	128	62%	0.615	79%	0.788	S	S	*	*			trans	51.1	137.6	139.4	-74.7	0	0	0	0	127.5
17	T	30.7	Very low	33.3	Very low	131 Å²	131	134.7 Å²	134.7	80%	0.804	80%	0.801	S	S	*	*			trans	70	155.4	142.8	55.8	0	0	0	0	119.3
18	D	30.8	Very low	33.2	Very low	114 Å²	114	133.3 Å²	133.3	61%	0.61	80%	0.796	S	S	*	*			cis	-157.7	172.2	7.6	-148.3	-11	0	0	0	114.7
19	K	31.9	Very low	34	Very low	169 Å²	169	131.6 Å²	131.6	74%	0.735	79%	0.788	S	S	*	*			trans	49.2	112.4	151.9	-76.9	152.7	-172.9	138	0	124.9
20	A	34.5	Very low	34	Very low	90 Å²	90	131.6 Å²	131.6	74%	0.744	79%	0.793	S	S	*	*				43.1	164.6	93.6	0	0	0	0	0	122.7
21	P	49.5	Very low	34.1	Very low	115 Å²	115	127.1 Å²	127.1	75%	0.747	79%	0.787	S	S	*	*			cis	-143.9	-162.1	-32.7	39.2	-18.4	0	0	0	115.7
22	K	34.2	Very low	34.4	Very low	212 Å²	212	130.7 Å²	130.7	92%	0.922	80%	0.796	S	S	*	*			trans	98.9	146.3	172.2	-59.4	175	179.2	178.3	0	115.2
23	G	31.4	Very low	34.3	Very low	72 Å²	72	127 Å²	127	74%	0.742	80%	0.797	S	S	*	*			cis	-167.6	174.9	-3	0	0	0	0	0	112.4
24	P	47.6	Very low	34.5	Very low	135 Å²	135	128 Å²	128	88%	0.877	80%	0.798	S	S	*	*			trans	-124.2	156.8	-156.4	41.4	-30.2	0	0	0	118.6
25	A	34.6	Very low	34.9	Very low	111 Å²	111	128 Å²	128	92%	0.917	80%	0.798	S	S	*	*			trans	172.5	153.4	149.4	0	0	0	0	0	108.8
26	G	31.7	Very low	35.7	Very low	66 Å²	66	126.2 Å²	126.2	68%	0.68	80%	0.796	S	S	*	*			cis	167.9	149.4	-8.8	0	0	0	0	0	110.3
27	E	33.7	Very low	35.8	Very low	209 Å²	209	125.5 Å²	125.5	98%	0.977	80%	0.802	S	S	*	*			trans	53.6	150.1	162.3	-54.8	178	154.8	0	0	119
28	G	32.7	Very low	37.2	Very low	72 Å²	72	125.3 Å²	125.3	74%	0.742	80%	0.803	S	S	*	*			cis	-167.7	-175.6	2.8	0	0	0	0	0	110.6
29	P	47.6	Very low	38	Very low	118 Å²	118	126 Å²	126	77%	0.766	81%	0.814	S	S	*	*			trans	-133.1	-174.5	-151.2	42.1	-26.4	0	0	0	118.8
30	L	34.8	Very low	38.3	Very low	175 Å²	175	125.4 Å²	125.4	92%	0.916	82%	0.819	S	S	*	*			trans	94.5	137.8	157.5	-64.4	158	0	0	0	120.4
31	G	32.4	Very low	39.5	Very low	71 Å²	71	125.8 Å²	125.8	73%	0.732	81%	0.814	S	S	*	*			trans	167.9	135.7	174.8	0	0	0	0	0	111.8
32	T	34	Very low	38.7	Very low	139 Å²	139	129.5 Å²	129.5	85%	0.853	82%	0.818	S	S	*	*			trans	-154.5	127.6	-168.1	53	0	0	0	0	116.7
33	G	31.6	Very low	38.6	Very low	80 Å²	80	129.2 Å²	129.2	83%	0.825	82%	0.817	S	S	*	*			trans	77.6	174.3	160	0	0	0	0	0	117.2
34	K	32.7	Very low	38.7	Very low	211 Å²	211	131.6 Å²	131.6	92%	0.917	82%	0.817	S	S	*	*			cis	-166.6	146.1	-21.6	-154	179.3	-176.6	-176.9	0	109.7
35	D	38.1	Very low	38.5	Very low	149 Å²	149	131 Å²	131	80%	0.797	81%	0.813	S	S	*	*			trans	-59.8	164	171.7	-99.7	-53.1	0	0	0	114
36	P	45.7	Very low	38.3	Very low	124 Å²	124	132.5 Å²	132.5	81%	0.805	81%	0.806	S	S	*	*			cis	-159.2	175.5	46.8	44.3	-22.9	0	0	0	121.5
37	G	32.5	Very low	39.5	Very low	72 Å²	72	134.8 Å²	134.8	74%	0.742	81%	0.809	S	S	*	*				103	134.1	127.9	0	0	0	0	0	121.7
38	P	58.8	Low	40.1	Very low	127 Å²	127	131 Å²	131	83%	0.825	80%	0.802	S	S	*	*			trans	-121.1	176	-179.7	43.5	-34.1	0	0	0	116.5
39	P	47.9	Very low	40.1	Very low	128 Å²	128	133.3 Å²	133.3	83%	0.831	80%	0.802	S	S	*	*			trans	-136.3	159.1	158.2	39.2	-24.8	0	0	0	117.1
40	D	38.5	Very low	39.4	Very low	157 Å²	157	135.5 Å²	135.5	84%	0.84	81%	0.807	S	S	*	*			trans	-102.5	-164	176.8	-90.9	-57.7	0	0	0	112.4
41	P	60.1	Low	39.3	Very low	98 Å²	98	137.1 Å²	137.1	64%	0.636	81%	0.807	S	S	*	*				-132.9	-179	-68.8	41.4	-25.9	0	0	0	113.2
42	K	31.4	Very low	39.3	Very low	193 Å²	193	142.9 Å²	142.9	84%	0.839	81%	0.811	S	S	*	*			trans	167.3	155.3	137.3	-96	156.8	-173.5	168.7	0	118.6
43	K	32	Very low	39.2	Very low	206 Å²	206	144.5 Å²	144.5	90%	0.896	82%	0.815	S	S	*	*			trans	85.3	134.5	148.9	-91.3	-172.3	173	-172.5	0	122.3
44	T	34.1	Very low	39.3	Very low	122 Å²	122	145.2 Å²	145.2	75%	0.748	81%	0.813	S	S	*	*			trans	-100.1	168.4	161.1	52.1	0	0	0	0	110.9
45	P	43.9	Very low	39.1	Very low	122 Å²	122	145.1 Å²	145.1	79%	0.792	81%	0.813	S	S	*	*				-149.7	176.1	96.2	41.1	-24.4	0	0	0	116.3
46	D	31.1	Very low	38.8	Very low	143 Å²	143	141.9 Å²	141.9	77%	0.765	81%	0.806	S	S	*	*			trans	-91.5	-160.7	176.8	-53.2	-78.9	0	0	0	113.3
47	P	56.1	Low	38.4	Very low	114 Å²	114	142 Å²	142	74%	0.74	81%	0.807	S	S	*	*				-128.2	-173.2	-91	41.7	-24.9	0	0	0	113.7
48	P	46.5	Very low	38.3	Very low	129 Å²	129	143.1 Å²	143.1	84%	0.838	81%	0.81	S	S	*	*			trans	-132	170.9	154.1	37.8	-24.7	0	0	0	114.8
49	T	32.2	Very low	38.1	Very low	122 Å²	122	142.9 Å²	142.9	75%	0.748	81%	0.808	S	S	*	*			trans	-122.3	156.2	-165.1	38.5	0	0	0	0	115.6
50	L	32.7	Very low	37.3	Very low	164 Å²	164	146.1 Å²	146.1	86%	0.859	81%	0.812	S	S	*	*			trans	52.3	127.4	147.4	-68.9	167.2	0	0	0	121
51	K	31.9	Very low	37.1	Very low	209 Å²	209	149 Å²	149	91%	0.909	82%	0.817	S	S	*	*				-153.9	149.2	128.6	-114.6	171	-172.9	-179.2	0	112.4
52	K	33	Very low	35.7	Very low	192 Å²	192	148 Å²	148	84%	0.835	82%	0.824	S	S	*	*			trans	-83	156.4	164.3	-70.4	178.8	174.3	178.8	0	109.1
53	D	33.1	Very low	35.8	Very low	172 Å²	172	147.2 Å²	147.2	92%	0.92	83%	0.829	S	S	*	*				-154.7	171.8	124.2	-104.4	-40.9	0	0	0	110.3
54	A	32.6	Very low	35.7	Very low	96 Å²	96	141 Å²	141	79%	0.793	82%	0.824	S	S	*	*			trans	-139.8	164.6	-170.3	0	0	0	0	0	112.7
55	K	28.5	Very low	35.3	Very low	209 Å²	209	141.6 Å²	141.6	91%	0.909	83%	0.828	S	S	*	*			trans	139.4	131.4	146	-173.4	169.3	-179.4	-176.7	0	112.5
56	A	32.5	Very low	34.6	Very low	80 Å²	80	143.5 Å²	143.5	66%	0.661	83%	0.83	S	S	*	*			trans	-90.6	170.9	170.9	0	0	0	0	0	111.5
57	P	36.7	Very low	34.5	Very low	128 Å²	128	141 Å²	141	83%	0.831	83%	0.83	S	S	*	*				-131.2	172	122.2	38.2	-31.1	0	0	0	113.3
58	A	31.5	Very low	33.3	Very low	95 Å²	95	144.2 Å²	144.2	79%	0.785	84%	0.835	S	S	*	*			trans	-128.1	-159.1	173.4	0	0	0	0	0	109.1
59	P	53.3	Low	33.5	Very low	121 Å²	121	143.4 Å²	143.4	79%	0.786	83%	0.829	S	S	*	*				-113.8	175.5	-121.4	40.2	-25.9	0	0	0	115.1
60	E	31.1	Very low	33.4	Very low	197 Å²	197	142.7 Å²	142.7	92%	0.921	83%	0.829	S	S	*	*			trans	-129.7	163.3	166.6	-71.2	-162.7	133	0	0	112.8
61	K	35.6	Very low	33.3	Very low	216 Å²	216	140.6 Å²	140.6	94%	0.939	82%	0.824	S	S	*	*			trans	-139.3	149.2	173.4	-90.3	-171.4	170.4	-170.6	0	109
62	G	29.5	Very low	33.3	Very low	77 Å²	77	135.7 Å²	135.7	79%	0.794	82%	0.816	S	S	*	*			trans	-164.2	149.6	169.5	0	0	0	0	0	112.1
63	D	33.2	Very low	33.4	Very low	177 Å²	177	131 Å²	131	95%	0.947	81%	0.807	S	S	*	*			trans	-90.5	166.6	-173.9	-63	-65.5	0	0	0	114
64	G	29.6	Very low	33.3	Very low	77 Å²	77	131.9 Å²	131.9	79%	0.794	81%	0.806	S	S	*	*			trans	173.6	80.1	172.4	0	0	0	0	0	118.6
65	T	27.1	Very low	33.1	Very low	133 Å²	133	130.7 Å²	130.7	82%	0.816	80%	0.803	S	S	*	*			trans	-38.3	142.1	167.6	-46	0	0	0	0	117.9
66	L	29.6	Very low	34.1	Very low	162 Å²	162	125.8 Å²	125.8	85%	0.848	79%	0.792	S	S	*	*				174.6	134.9	126.1	-96.4	161.9	0	0	0	117.7
67	A	29	Very low	34.1	Very low	91 Å²	91	131.1 Å²	131.1	75%	0.752	80%	0.804	S	S	*	*			trans	56.7	156.7	141.3	0	0	0	0	0	125.4
68	Q	31	Very low	33.8	Very low	182 Å²	182	128.9 Å²	128.9	85%	0.85	80%	0.803	S	S	*	*			trans	-108.5	-158.5	178.7	-63.6	-166.1	-31.1	0	0	110.1
69	P	49.4	Very low	33.8	Very low	111 Å²	111	134.3 Å²	134.3	72%	0.721	81%	0.813	S	S	*	*			cis	-148.2	173.1	0.8	44.5	-24.4	0	0	0	120.5
70	S	30.9	Very low	32.7	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	82%	0.816	S	S	*	*			trans	-160.3	98.1	145	42.3	0	0	0	0	110.6
71	T	30.9	Very low	32.7	Very low	120 Å²	120	129.6 Å²	129.6	74%	0.736	81%	0.806	S	S	*	*				60.7	96.5	100.4	58.4	0	0	0	0	114.4
72	S	32.1	Very low	32.6	Very low	107 Å²	107	130 Å²	130	75%	0.748	80%	0.802	S	S	*	*				90.1	142.3	77.1	65.3	0	0	0	0	113.4
73	S	33.9	Very low	32.5	Very low	94 Å²	94	130.1 Å²	130.1	66%	0.657	80%	0.803	S	S	*	*			cis	-172.1	159.9	2.3	35.8	0	0	0	0	113.1
74	Q	31.3	Very low	32.3	Very low	190 Å²	190	125.7 Å²	125.7	89%	0.888	80%	0.8	S	S	*	*			trans	71.3	142.1	152.1	-74.2	162.7	-25.8	0	0	121.2
75	G	29.1	Very low	32.3	Very low	70 Å²	70	125.6 Å²	125.6	72%	0.722	80%	0.799	S	S	*	*			trans	-98	-148.9	158.4	0	0	0	0	0	111
76	P	49.2	Very low	33.3	Very low	107 Å²	107	125.2 Å²	125.2	70%	0.695	80%	0.798	S	S	*	*			cis	-140	-172.2	27.8	43.3	-24.5	0	0	0	116.1
77	E	32.2	Very low	33.4	Very low	192 Å²	192	121.8 Å²	121.8	90%	0.897	79%	0.793	S	S	*	*			trans	49.9	140.8	146.2	-73.5	160.7	-162.1	0	0	123.1
78	G	29.6	Very low	33.6	Very low	80 Å²	80	127.1 Å²	127.1	83%	0.825	80%	0.803	S	S	*	*			trans	168.5	128.9	168.3	0	0	0	0	0	114.6
79	E	32.8	Very low	33.6	Very low	210 Å²	210	122.4 Å²	122.4	98%	0.981	80%	0.803	S	S	*	*			trans	-80.7	165.1	-176	-58.4	166.6	105.9	0	0	114.3
80	G	30.3	Very low	32.6	Very low	83 Å²	83	123 Å²	123	86%	0.856	81%	0.81	S	S	*	*			trans	-179	114.2	168.8	0	0	0	0	0	115.1
81	D	31.3	Very low	32.6	Very low	135 Å²	135	122.9 Å²	122.9	72%	0.722	82%	0.815	S	S	*	*			trans	-101.3	164.7	-179.5	172.3	42.3	0	0	0	112.4
82	R	31.9	Very low	32.6	Very low	224 Å²	224	120.7 Å²	120.7	85%	0.845	82%	0.816	S	S	*	*			trans	75.5	150.8	170.6	-42	-177.6	-175.1	-179.8	-0.5	116.7
83	G	29	Very low	33.1	Very low	80 Å²	80	121.5 Å²	121.5	83%	0.825	82%	0.819	S	S	*	*			cis	144.1	124.3	-9.5	0	0	0	0	0	113.7
84	G	28.2	Very low	33.3	Very low	84 Å²	84	123.2 Å²	123.2	87%	0.866	83%	0.828	S	S	*	*			trans	117.1	147.2	170.1	0	0	0	0	0	116
85	G	30	Very low	33.3	Very low	75 Å²	75	119.3 Å²	119.3	77%	0.773	83%	0.828	S	S	*	*			trans	-103.2	-158.8	155.4	0	0	0	0	0	110.1
86	P	47.6	Very low	33.5	Very low	125 Å²	125	120.7 Å²	120.7	81%	0.812	83%	0.833	S	S	*	*			cis	-137.4	173.9	8.5	43.4	-27.2	0	0	0	116.5
87	A	32.4	Very low	32.6	Very low	90 Å²	90	123.3 Å²	123.3	74%	0.744	84%	0.84	S	S	*	*			trans	66.4	150.9	144.2	0	0	0	0	0	123.4
88	E	32.5	Very low	32.7	Very low	204 Å²	204	120.3 Å²	120.3	95%	0.953	84%	0.837	S	S	*	*			trans	63.9	139.6	164.6	-53.2	-157	129.7	0	0	120.9
89	G	30.3	Very low	32.7	Very low	83 Å²	83	125.6 Å²	125.6	86%	0.856	84%	0.84	S	S	*	*			trans	157	111.5	175.2	0	0	0	0	0	113.5
90	S	29.6	Very low	32.5	Very low	124 Å²	124	124.9 Å²	124.9	87%	0.867	84%	0.837	S	S	*	*			trans	-98.8	167.8	-168.6	-169.2	0	0	0	0	115.3
91	A	31.1	Very low	32.4	Very low	103 Å²	103	128 Å²	128	85%	0.851	84%	0.84	S	S	*	*			trans	87.1	129	157.9	0	0	0	0	0	120.8
92	G	29.9	Very low	32.2	Very low	74 Å²	74	126 Å²	126	76%	0.763	84%	0.843	S	S	*	*			trans	167.4	110.4	169.8	0	0	0	0	0	113
93	P	42.3	Very low	31.9	Very low	124 Å²	124	122 Å²	122	81%	0.805	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-89.4	163.9	-174.3	34.9	-35.5	0	0	0	114.7
94	P	37.9	Very low	32.1	Very low	131 Å²	131	123.6 Å²	123.6	85%	0.851	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-84.7	157.1	-172.4	34	-37	0	0	0	115.2
95	A	32.5	Very low	32	Very low	107 Å²	107	129.2 Å²	129.2	88%	0.884	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-88.2	157.3	170.9	0	0	0	0	0	112.5
96	A	32.4	Very low	31.9	Very low	99 Å²	99	132.3 Å²	132.3	82%	0.818	85%	0.847	S	S	*	*			trans	-106.6	161.5	-157.7	0	0	0	0	0	116.6
97	L	30.1	Very low	30.9	Very low	162 Å²	162	132 Å²	132	85%	0.848	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-72.2	145.4	166.2	-69.5	162.7	0	0	0	111.4
98	P	34.8	Very low	30.7	Very low	129 Å²	129	135 Å²	135	84%	0.838	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-75.9	134.1	173.4	30.9	-33.6	0	0	0	112.1
99	Q	29.1	Very low	30.4	Very low	191 Å²	191	134.6 Å²	134.6	89%	0.893	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-92.5	160.3	171.8	-69.7	-174.6	-13	0	0	112
100	Q	29.4	Very low	30.5	Very low	196 Å²	196	139.6 Å²	139.6	92%	0.916	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-86.1	146.8	175.6	-66.4	178	-8.8	0	0	111.5
101	T	28.4	Very low	30.7	Very low	147 Å²	147	139.1 Å²	139.1	90%	0.902	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-85.3	146.5	177.9	42.5	0	0	0	0	112.3
102	A	27.1	Very low	30.5	Very low	95 Å²	95	140.9 Å²	140.9	79%	0.785	83%	0.832	S	S	*	*			trans	-152.1	127.8	175.2	0	0	0	0	0	112.2
103	T	25.8	Very low	30.5	Very low	140 Å²	140	141.1 Å²	141.1	86%	0.859	83%	0.827	S	S	*	*			trans	-164.1	168.2	166.7	48.7	0	0	0	0	108
104	P	33	Very low	29.8	Very low	113 Å²	113	142.3 Å²	142.3	73%	0.734	82%	0.822	S	S	*	*				-138.7	151	-62	38.6	-22.5	0	0	0	113.4
105	E	26.1	Very low	29.2	Very low	201 Å²	201	145.3 Å²	145.3	94%	0.939	82%	0.824	S	S	*	*			trans	-138.7	152	161.2	-77.1	-156.4	152.6	0	0	113.1
106	T	27.7	Very low	28.9	Very low	141 Å²	141	143.7 Å²	143.7	87%	0.865	82%	0.818	S	S	*	*			trans	-120.4	142	-169	46.7	0	0	0	0	112.6
107	S	25.6	Very low	28.6	Very low	119 Å²	119	143.7 Å²	143.7	83%	0.832	82%	0.818	S	S	*	*			trans	-101.2	139.7	-178.8	-32.7	0	0	0	0	113
108	V	28.2	Very low	28.5	Very low	153 Å²	153	141.9 Å²	141.9	93%	0.927	82%	0.819	S	S	*	*			trans	-141.5	166.2	160.1	178.1	0	0	0	0	110
109	K	26.9	Very low	28.1	Very low	194 Å²	194	139.6 Å²	139.6	84%	0.843	82%	0.819	S	S	*	*			trans	-115.4	156.4	-157.3	-57.8	171.1	-178.7	171.7	0	116.7
110	K	32.3	Very low	28.1	Very low	188 Å²	188	135.4 Å²	135.4	82%	0.817	81%	0.811	S	S	*	*			trans	-18.2	143.3	145.7	-160.1	179.5	-171	173.2	0	118.4
111	P	33.2	Very low	28.1	Very low	115 Å²	115	135.1 Å²	135.1	75%	0.747	81%	0.809	S	S	*	*				-121.2	175.2	107	37	-34.7	0	0	0	111.8
112	K	27.5	Very low	28	Very low	140 Å²	140	135.4 Å²	135.4	61%	0.609	81%	0.805	S	S	*	*			cis	102.2	108.4	4.2	-168.7	-93.8	146.2	-164.2	0	118.7	E114	K112-E114 IonicContact NZ-OE1 2.73Å; K112-E114 PolarHBondContact NZ-OE1 3.31Å; K112-E114 IonicContact NZ-OE2 3.32Å; K112-E114 PolarHBondContact NZ-OE2 3.3Å
113	A	30	Very low	29	Very low	79 Å²	79	136.3 Å²	136.3	65%	0.653	80%	0.803	S	S	*	*			trans	-164.8	125.7	152.4	0	0	0	0	0	105.9
114	E	27.4	Very low	29	Very low	148 Å²	148	133.1 Å²	133.1	69%	0.692	80%	0.798	S	S	*	*				68.6	141.8	88.1	-82.1	147.3	-171.9	0	0	114.2	K112	K112-E114 IonicContact NZ-OE1 2.73Å; K112-E114 PolarHBondContact NZ-OE1 3.31Å; K112-E114 IonicContact NZ-OE2 3.32Å; K112-E114 PolarHBondContact NZ-OE2 3.3Å
115	E	26.4	Very low	29	Very low	195 Å²	195	134.6 Å²	134.6	91%	0.911	80%	0.795	S	S	*	*			cis	-153.5	170.9	12.9	-151.9	175.1	-151.5	0	0	111.1
116	G	25.2	Very low	29.7	Very low	72 Å²	72	131.1 Å²	131.1	74%	0.742	79%	0.79	S	S	*	*			trans	144.4	112.7	162	0	0	0	0	0	119.4
117	A	27.4	Very low	29.9	Very low	100 Å²	100	134 Å²	134	83%	0.826	79%	0.785	S	S	*	*			trans	-24.9	168.8	157.6	0	0	0	0	0	120.3
118	S	27.3	Very low	30.1	Very low	123 Å²	123	135.2 Å²	135.2	86%	0.86	79%	0.787	S	S	*	*			cis	-175.8	155.6	-20.3	57.8	0	0	0	0	108.6
119	G	27.2	Very low	30.2	Very low	82 Å²	82	131.3 Å²	131.3	85%	0.845	78%	0.778	S	S	*	*			trans	157.9	128.8	171.6	0	0	0	0	0	115.1
120	S	28.6	Very low	30.5	Very low	103 Å²	103	131.1 Å²	131.1	72%	0.72	78%	0.777	S	S	*	*			trans	-112	169	-167.6	55.8	0	0	0	0	114.8
121	Q	28.4	Very low	30.5	Very low	189 Å²	189	131.6 Å²	131.6	88%	0.883	78%	0.78	S	S	*	*			trans	95.9	103.8	157.2	-68.7	173.2	-21.1	0	0	120
122	D	27.5	Very low	30.4	Very low	153 Å²	153	130.3 Å²	130.3	82%	0.818	78%	0.778	S	S	*	*			trans	-75	174.6	142.5	-156.5	35.1	0	0	0	108.9
123	P	47.5	Very low	30.6	Very low	115 Å²	115	127.8 Å²	127.8	75%	0.747	78%	0.783	S	S	*	*			cis	-134.7	-172.4	-1.5	44.3	-28.3	0	0	0	115.1
124	G	25.4	Very low	30.6	Very low	73 Å²	73	133.7 Å²	133.7	75%	0.753	80%	0.798	S	S	*	*			trans	156.1	100.2	150.1	0	0	0	0	0	119.3
125	E	33.1	Very low	30.5	Very low	144 Å²	144	130.7 Å²	130.7	67%	0.673	81%	0.806	S	S	*	*			trans	-73.6	158.5	156.8	-151.2	-169.7	-130	0	0	109.5	R127	E125-R127 HydrophobicContact CG-CG 4.48Å; E125-R127 IonicContact OE1-NE 2.87Å; E125-R127 VanDerWaalsContact OE2-CG 3.22Å; E125-R127 WeakPolarHBondContact OE2-CG 3.42Å; E125-R127 IonicContact OE2-CZ 2.95Å; E125-R127 IonicContact OE2-NE 2.68Å; E125-R127 PolarHBondContact OE2-NE 3.43Å; E125-R127 IonicContact OE2-NH2 3.99Å
126	P	40.2	Very low	30.7	Very low	127 Å²	127	131 Å²	131	83%	0.825	81%	0.808	S	S	*	*				-149.4	174.9	98.2	38.4	-20.8	0	0	0	116.5
127	R	31.9	Very low	30.8	Very low	201 Å²	201	132.8 Å²	132.8	76%	0.758	82%	0.815	S	S	*	*			trans	-104.2	174.1	-168.6	-48.1	160.9	-178.3	-172.1	-10.1	113.9	E125	E125-R127 HydrophobicContact CG-CG 4.48Å; E125-R127 IonicContact OE1-NE 2.87Å; E125-R127 VanDerWaalsContact OE2-CG 3.22Å; E125-R127 WeakPolarHBondContact OE2-CG 3.42Å; E125-R127 IonicContact OE2-CZ 2.95Å; E125-R127 IonicContact OE2-NE 2.68Å; E125-R127 PolarHBondContact OE2-NE 3.43Å; E125-R127 IonicContact OE2-NH2 3.99Å
128	V	31.5	Very low	31	Very low	145 Å²	145	133 Å²	133	88%	0.879	82%	0.817	S	S	*	*			trans	158.9	139.7	134.6	155.1	0	0	0	0	106
129	G	29.4	Very low	31	Very low	72 Å²	72	132.1 Å²	132.1	74%	0.742	82%	0.817	S	S	*	*			cis	151.4	172.8	16.5	0	0	0	0	0	106.3
130	K	34	Very low	31.2	Very low	189 Å²	189	139.7 Å²	139.7	82%	0.822	82%	0.82	S	S	*	*			cis	-175.6	136	12.2	-165	-178.2	-164.1	175.1	0	110.2
131	K	32.4	Very low	31.2	Very low	199 Å²	199	146.9 Å²	146.9	87%	0.865	83%	0.832	S	S	*	*			trans	63.3	165.4	159.1	-82.2	-171.5	173.1	-163.6	0	117.9
132	A	30.3	Very low	31.1	Very low	87 Å²	87	141.3 Å²	141.3	72%	0.719	83%	0.825	S	S	*	*			cis	-173.6	173	-12.1	0	0	0	0	0	108.3
133	A	31.2	Very low	31.2	Very low	87 Å²	87	139.9 Å²	139.9	72%	0.719	83%	0.827	S	S	*	*			cis	-174.2	-178.7	-29.7	0	0	0	0	0	109.5
134	E	30	Very low	30.6	Very low	204 Å²	204	140.5 Å²	140.5	95%	0.953	83%	0.831	S	S	*	*			trans	70.6	155.4	165.5	-57.7	-172	159.3	0	0	120.4
135	G	25.1	Very low	30.7	Very low	84 Å²	84	141.4 Å²	141.4	87%	0.866	83%	0.831	S	S	*	*			trans	132.3	82.3	166.6	0	0	0	0	0	117.6
136	Q	30.8	Very low	30.6	Very low	202 Å²	202	142.8 Å²	142.8	94%	0.944	84%	0.835	S	S	*	*			trans	-104.4	130.1	159.7	-87.2	-171.6	-18.3	0	0	110.3
137	A	26.8	Very low	30.2	Very low	109 Å²	109	145.2 Å²	145.2	90%	0.901	84%	0.84	S	S	*	*			trans	-157.9	146.5	162.2	0	0	0	0	0	110.8
138	A	32	Very low	30.1	Very low	105 Å²	105	142.9 Å²	142.9	87%	0.868	84%	0.838	S	S	*	*			trans	-115.8	141.5	172.5	0	0	0	0	0	110.2
139	A	28.5	Very low	29.9	Very low	104 Å²	104	140.7 Å²	140.7	86%	0.86	83%	0.829	S	S	*	*			trans	-139.1	139.1	175.9	0	0	0	0	0	111.3
140	R	30.4	Very low	30.6	Very low	241 Å²	241	143.1 Å²	143.1	91%	0.909	83%	0.832	S	S	*	*			trans	-109.1	169.7	168.7	-77.9	-177.8	168.3	-170	-3.4	109.3
141	R	28.9	Very low	30.3	Very low	254 Å²	254	139.2 Å²	139.2	96%	0.958	83%	0.828	S	S	*	*			trans	84.5	139.6	-176.2	-51.7	176.4	-174.3	-142.1	1.7	112.9
142	G	26	Very low	30.2	Very low	72 Å²	72	135.6 Å²	135.6	74%	0.742	83%	0.826	S	S	*	*			cis	-179.7	157.8	-6.4	0	0	0	0	0	112.9
143	S	29.4	Very low	30.8	Very low	123 Å²	123	137.4 Å²	137.4	86%	0.86	83%	0.831	S	S	*	*			trans	-77.3	141.2	-179.5	-39.3	0	0	0	0	112.4
144	P	35.3	Very low	30.6	Very low	128 Å²	128	137.5 Å²	137.5	83%	0.831	83%	0.832	S	S	*	*			trans	-87.4	154.3	151.5	34.9	-29.9	0	0	0	110.5
145	A	28.7	Very low	30.6	Very low	92 Å²	92	135.4 Å²	135.4	76%	0.76	83%	0.825	S	S	*	*			trans	-116.2	155.8	-179	0	0	0	0	0	112.5
146	F	29.5	Very low	30.7	Very low	173 Å²	173	139.5 Å²	139.5	76%	0.759	83%	0.826	S	S	*	*			trans	2.1	134.6	162.3	-68.3	-92.6	0	0	0	120.6
147	L	31.8	Very low	30.5	Very low	178 Å²	178	134.7 Å²	134.7	93%	0.932	82%	0.815	S	S	*	*			trans	-129	155.3	137.9	-75.4	178.4	0	0	0	109.3
148	H	29.7	Very low	30.5	Very low	152 Å²	152	135.1 Å²	135.1	70%	0.704	81%	0.811	S	S	*	*			trans	-110.6	144.2	-160.1	-93.8	-94.8	0	0	0	115
149	S	27.5	Very low	30.3	Very low	100 Å²	100	135.2 Å²	135.2	70%	0.699	81%	0.805	S	S	*	*			trans	66.5	173.5	141.3	-60.8	0	0	0	0	118.4
150	P	44.4	Very low	30.5	Very low	123 Å²	123	137.9 Å²	137.9	80%	0.799	80%	0.8	S	S	*	*				-131	-179.7	-54	38.1	-24.8	0	0	0	111.6
151	S	27	Very low	30.2	Very low	106 Å²	106	136.5 Å²	136.5	74%	0.741	80%	0.8	S	S	*	*				169	142.2	127.5	-173.6	0	0	0	0	112.4
152	C	31.5	Very low	30.1	Very low	123 Å²	123	130.8 Å²	130.8	83%	0.831	79%	0.788	S	S	*	*			trans	-121	147.8	158.3	-66	0	0	0	0	108
153	P	43.2	Very low	30	Very low	126 Å²	126	136.1 Å²	136.1	82%	0.818	80%	0.798	S	S	*	*			trans	-119.4	143.2	153.6	35.5	-26.6	0	0	0	111.7
154	A	26.9	Very low	29.9	Very low	88 Å²	88	133.8 Å²	133.8	73%	0.727	79%	0.787	S	S	*	*			trans	-110.4	148.7	171.4	0	0	0	0	0	110.7
155	I	29.2	Very low	29.6	Very low	160 Å²	160	137.4 Å²	137.4	82%	0.821	79%	0.789	S	S	*	*			trans	48.6	111.9	152.6	-55.7	163.7	0	0	0	117.5
156	I	27.8	Very low	29.5	Very low	170 Å²	170	142 Å²	142	87%	0.872	79%	0.792	S	S	*	*			trans	-127.1	139.1	144.8	-65.5	-177.1	0	0	0	108.1
157	S	26.3	Very low	29.3	Very low	102 Å²	102	139.8 Å²	139.8	71%	0.713	80%	0.795	S	S	*	*			trans	-94	147.8	-179.5	180	0	0	0	0	112
158	S	26.5	Very low	29	Very low	118 Å²	118	139 Å²	139	83%	0.825	79%	0.791	S	S	*	*			trans	-159.3	141.8	160.4	-82.2	0	0	0	0	112.6
159	S	27.8	Very low	28.9	Very low	106 Å²	106	136.2 Å²	136.2	74%	0.741	79%	0.789	S	S	*	*			trans	-62.8	145.2	-158.1	-47.9	0	0	0	0	119.3
160	E	31.9	Very low	28.9	Very low	160 Å²	160	140.4 Å²	140.4	75%	0.748	80%	0.798	S	S	*	*			trans	27.2	132.6	133.8	-56.7	-175.6	105.7	0	0	121.3
161	K	26	Very low	28.1	Very low	212 Å²	212	138.8 Å²	138.8	92%	0.922	80%	0.795	S	S	*	*				-147	122.2	116.7	-131.9	168.5	-171.9	172.2	0	113.6
162	L	25.4	Very low	28.1	Very low	135 Å²	135	139.5 Å²	139.5	71%	0.707	80%	0.799	S	S	*	*			trans	-73.2	142	175	-90.8	152.1	0	0	0	112.3	A164	L162-A164 HydrophobicContact CD2-CB 4.4Å
163	L	25.1	Very low	27.9	Very low	183 Å²	183	141.5 Å²	141.5	96%	0.958	80%	0.797	S	S	*	*			trans	-138.7	120.9	141.2	-156.8	80	0	0	0	108.7
164	A	26.6	Very low	27.1	Very low	74 Å²	74	144 Å²	144	61%	0.612	80%	0.802	S	S	*	*			trans	-118.3	146.1	-170.5	0	0	0	0	0	112.5	L162	L162-A164 HydrophobicContact CD2-CB 4.4Å
165	K	27.8	Very low	27	Very low	204 Å²	204	145.2 Å²	145.2	89%	0.887	80%	0.8	S	S	*	*			trans	-170.4	122.5	139.1	-105.1	152.1	-173.5	176.4	0	112.8
166	K	27.8	Very low	26.9	Very low	189 Å²	189	147.4 Å²	147.4	82%	0.822	80%	0.804	S	S	*	*			trans	41.5	118.4	156.7	-71.7	-167.7	171.6	-168.9	0	119.9
167	P	25.8	Very low	26.8	Very low	127 Å²	127	147.6 Å²	147.6	83%	0.825	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.7	153.8	135.1	33.3	-32.8	0	0	0	110.3
168	L	25.6	Very low	26.8	Very low	160 Å²	160	146.2 Å²	146.2	84%	0.838	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-102.2	153.8	162.9	-168.6	65.6	0	0	0	108.5
169	S	27	Very low	27	Very low	95 Å²	95	147.2 Å²	147.2	66%	0.664	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-67.7	136.9	178.8	50.1	0	0	0	0	112.8
170	E	27	Very low	27	Very low	188 Å²	188	147.3 Å²	147.3	88%	0.879	80%	0.803	S	S	*	*				-164.7	127.3	112.9	-105.9	165.8	-158.1	0	0	109.9
171	A	27.7	Very low	26.8	Very low	89 Å²	89	148.4 Å²	148.4	74%	0.736	81%	0.81	S	S	*	*			trans	-130.2	112.1	175.4	0	0	0	0	0	108.1	E173	A171-E173 PolarHBondContact O-N 3.38Å
172	S	28.2	Very low	26.9	Very low	120 Å²	120	144.8 Å²	144.8	84%	0.839	81%	0.806	S	S	*	*			trans	-91.8	78	176.4	-61.9	0	0	0	0	109.8	L174	S172-L174 PolarHBondContact O-N 2.75Å
173	E	27.3	Very low	27.1	Very low	166 Å²	166	147.8 Å²	147.8	78%	0.776	82%	0.816	S	S	*	*			trans	-69	121.7	167.3	-66.5	-173	127.7	0	0	109.4	A171 T175	A171-E173 PolarHBondContact O-N 3.38Å; E173-T175 PolarHBondContact O-N 2.71Å
174	L	25.7	Very low	27.1	Very low	177 Å²	177	142.4 Å²	142.4	93%	0.927	81%	0.805	S	S	*	*			trans	-91.7	72.9	171.1	-79.1	171.4	0	0	0	110.2	S172	S172-L174 PolarHBondContact O-N 2.75Å
175	T	24.6	Very low	27.9	Very low	114 Å²	114	144.6 Å²	144.6	70%	0.699	81%	0.813	S	S	*	*			trans	-70.8	133.4	161.3	47.7	0	0	0	0	109.8	E173	E173-T175 PolarHBondContact O-N 2.71Å
176	F	26.2	Very low	27.9	Very low	206 Å²	206	141.1 Å²	141.1	90%	0.904	81%	0.809	S	S	*	*			trans	-114.3	105.2	174.1	-153	-84.2	0	0	0	109.4
177	E	25.7	Very low	27.8	Very low	174 Å²	174	138.7 Å²	138.7	81%	0.813	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-72.5	141.6	177.3	-67	-173	117.6	0	0	111.3
178	G	27.8	Very low	28.4	Very low	74 Å²	74	138.4 Å²	138.4	76%	0.763	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-82.1	125.3	174.3	0	0	0	0	0	111.6
179	V	29.2	Very low	28.5	Very low	139 Å²	139	141.3 Å²	141.3	84%	0.842	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-70.3	126.3	172.9	-179.9	0	0	0	0	109.6
180	P	28.7	Very low	29.1	Very low	108 Å²	108	142.5 Å²	142.5	70%	0.701	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-78.1	141.7	-177.5	31	-35.2	0	0	0	112.4
181	M	27.9	Very low	29.1	Very low	183 Å²	183	137.7 Å²	137.7	90%	0.901	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-86.3	134.8	166.2	-76.7	-68.6	-179.7	0	0	110.6
182	T	28.7	Very low	28.9	Very low	136 Å²	136	143.4 Å²	143.4	83%	0.834	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-89.1	146	-174.8	50.7	0	0	0	0	113.1
183	H	28.7	Very low	29	Very low	198 Å²	198	142.1 Å²	142.1	92%	0.917	81%	0.805	S	S	*	*			trans	-116.3	145.9	175.5	-89	-77.7	0	0	0	113.2
184	G	25.8	Very low	28.9	Very low	70 Å²	70	143.8 Å²	143.8	72%	0.722	81%	0.813	S	S	*	*			trans	136	168.1	154.3	0	0	0	0	0	115
185	P	42.2	Very low	29	Very low	120 Å²	120	139.2 Å²	139.2	78%	0.779	81%	0.808	S	S	*	*			cis	-136.7	-179.4	-4.2	38.1	-19.4	0	0	0	116.2
186	T	27.6	Very low	29.2	Very low	131 Å²	131	143.1 Å²	143.1	80%	0.804	82%	0.816	S	S	*	*			trans	82.2	106.8	152.3	25.4	0	0	0	0	122.9
187	D	27	Very low	29.1	Very low	138 Å²	138	138.5 Å²	138.5	74%	0.738	81%	0.809	S	S	*	*			trans	-25.8	166.7	134.3	-104.6	-56.8	0	0	0	117.3	R189	D187-R189 PolarHBondContact OD1-N 3.33Å
188	P	38.2	Very low	29.1	Very low	120 Å²	120	137.1 Å²	137.1	78%	0.779	81%	0.805	S	S	*	*			cis	-141.8	152.2	43	40.2	-20.3	0	0	0	120.9
189	R	27.5	Very low	29.1	Very low	222 Å²	222	141.5 Å²	141.5	84%	0.838	81%	0.811	S	S	*	*			trans	-59.3	155.2	154.8	-117.9	176.5	-176.9	172.3	1.9	112.9	D187	D187-R189 PolarHBondContact OD1-N 3.33Å
190	P	40.6	Very low	28.9	Very low	120 Å²	120	138.5 Å²	138.5	78%	0.779	80%	0.8	S	S	*	*				-146.9	-172.4	83.3	44.7	-28	0	0	0	112.7
191	A	25.5	Very low	28.7	Very low	86 Å²	86	142 Å²	142	71%	0.711	81%	0.807	S	S	*	*			cis	-153	163.2	5.2	0	0	0	0	0	113
192	K	25	Very low	28.6	Very low	210 Å²	210	137.2 Å²	137.2	91%	0.913	79%	0.792	S	S	*	*			trans	21.3	124.1	150.6	-62.1	-177.2	176.6	-174.4	0	122.9
193	A	28.3	Very low	28.6	Very low	92 Å²	92	139.3 Å²	139.3	76%	0.76	79%	0.792	S	S	*	*				165.5	120.7	126	0	0	0	0	0	107.7
194	E	27	Very low	28.6	Very low	201 Å²	201	137.4 Å²	137.4	94%	0.939	78%	0.781	S	S	*	*				57.5	111.2	63.1	-66.9	-160	128.8	0	0	114.8
195	G	27.3	Very low	28.7	Very low	81 Å²	81	140.7 Å²	140.7	84%	0.835	78%	0.778	S	S	*	*			trans	174.8	122.1	173.6	0	0	0	0	0	115.2
196	K	28.7	Very low	28	Very low	197 Å²	197	141.5 Å²	141.5	86%	0.857	78%	0.78	S	S	*	*			trans	-68.5	146.6	167.5	-69.1	162.7	-177.5	172.3	0	109
197	S	24.6	Very low	28	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	77%	0.771	S	S	*	*				67.2	139.9	55.8	-167.5	0	0	0	0	114.1
198	I	25.6	Very low	28.1	Very low	145 Å²	145	139.2 Å²	139.2	74%	0.744	77%	0.772	S	S	*	*			trans	91.2	100.7	174.9	-54.3	174.4	0	0	0	117.2
199	L	26.1	Very low	27.7	Very low	167 Å²	167	141.3 Å²	141.3	87%	0.874	77%	0.769	S	S	*	*				43.8	162.7	125.9	-73.8	160.5	0	0	0	124.2
200	A	25.9	Very low	27.7	Very low	75 Å²	75	137 Å²	137	62%	0.62	77%	0.767	S	S	*	*			trans	84.8	114.6	163.6	0	0	0	0	0	115.3
201	E	23.8	Very low	27.8	Very low	181 Å²	181	137.3 Å²	137.3	85%	0.846	77%	0.769	S	S	*	*				79.5	144.6	88.7	-72.3	-153.4	98.7	0	0	113
202	S	27.1	Very low	27.9	Very low	83 Å²	83	136.9 Å²	136.9	58%	0.58	77%	0.774	S	S	*	*			cis	-165.3	-175.8	-9.6	-102.7	0	0	0	0	107.5
203	Q	28.9	Very low	28.3	Very low	180 Å²	180	136.2 Å²	136.2	84%	0.841	77%	0.774	S	S	*	*			trans	74.2	153.2	165.4	-60.5	-168.6	27.1	0	0	116.6
204	K	27.9	Very low	28.3	Very low	159 Å²	159	136.6 Å²	136.6	69%	0.691	78%	0.777	S	S	*	*			cis	-176.9	145	-21	-163.3	-164.8	166.8	-148.5	0	104.3
205	E	28	Very low	28.4	Very low	139 Å²	139	130.9 Å²	130.9	65%	0.65	77%	0.772	S	S	*	*				171.5	156.7	86.3	-98.8	-161.5	159.4	0	0	113.1
206	V	27.1	Very low	28.4	Very low	137 Å²	137	136.2 Å²	136.2	83%	0.83	78%	0.775	S	S	*	*			trans	58.1	131.8	147.2	174.7	0	0	0	0	119.6
207	G	28.4	Very low	28.5	Very low	60 Å²	60	131.9 Å²	131.9	62%	0.619	78%	0.776	S	S	*	*			cis	160.7	166.7	-7.3	0	0	0	0	0	114.6
208	E	29.6	Very low	28.6	Very low	161 Å²	161	135.3 Å²	135.3	75%	0.752	78%	0.78	S	S	*	*			trans	67.8	146.2	169.5	-50.5	-144.6	128	0	0	117.5
209	K	28.1	Very low	28.8	Very low	164 Å²	164	135.8 Å²	135.8	71%	0.713	79%	0.789	S	S	*	*			cis	-152.3	165.9	-6.9	-124.5	165.4	-173.8	144.3	0	112.4
210	T	27.7	Very low	29	Very low	130 Å²	130	137.1 Å²	137.1	80%	0.798	79%	0.791	S	S	*	*			trans	-88.9	-169.1	-174.3	19.3	0	0	0	0	113.8
211	P	44.2	Very low	29	Very low	127 Å²	127	136.6 Å²	136.6	83%	0.825	79%	0.793	S	S	*	*			cis	-134.4	176	-5.3	24.9	-0.4	0	0	0	117
212	G	27.3	Very low	29.4	Very low	78 Å²	78	135.3 Å²	135.3	80%	0.804	79%	0.792	S	S	*	*			trans	-159.4	123.4	162.2	0	0	0	0	0	113.5
213	Q	32.1	Very low	29.6	Very low	196 Å²	196	137.4 Å²	137.4	92%	0.916	80%	0.801	S	S	*	*			trans	-75.3	170.6	-177.7	-76.6	171	-48.4	0	0	113.9
214	A	29.5	Very low	29.8	Very low	100 Å²	100	134.3 Å²	134.3	83%	0.826	80%	0.8	S	S	*	*			cis	-173.4	168.4	-22.4	0	0	0	0	0	109.1
215	G	28.4	Very low	30	Very low	81 Å²	81	138.8 Å²	138.8	84%	0.835	81%	0.812	S	S	*	*			trans	159	121.3	166.5	0	0	0	0	0	114.8
216	Q	28	Very low	29.9	Very low	192 Å²	192	135.6 Å²	135.6	90%	0.897	82%	0.817	S	S	*	*			trans	-117.9	152.1	173.9	-65.8	172.6	-81.1	0	0	110.6
217	A	29.6	Very low	30	Very low	106 Å²	106	137.3 Å²	137.3	88%	0.876	82%	0.82	S	S	*	*			trans	-157.8	120.1	151.8	0	0	0	0	0	110.6
218	E	27.6	Very low	29.8	Very low	181 Å²	181	141.9 Å²	141.9	85%	0.846	83%	0.825	S	S	*	*			trans	-103.2	148.4	165.9	-63.2	172.3	101.4	0	0	109.6
219	V	30.2	Very low	29.6	Very low	155 Å²	155	142.2 Å²	142.2	94%	0.939	82%	0.824	S	S	*	*			trans	-144.6	153.6	147.7	175.3	0	0	0	0	108.1
220	Q	29.2	Very low	29.3	Very low	194 Å²	194	143.3 Å²	143.3	91%	0.907	83%	0.832	S	S	*	*			trans	-133	155.1	-157.8	-178.1	-176.9	12.6	0	0	112.3
221	G	27.4	Very low	29.1	Very low	64 Å²	64	141 Å²	141	66%	0.66	83%	0.826	S	S	*	*			trans	148.7	109.8	167.3	0	0	0	0	0	112
222	D	30.2	Very low	28.2	Very low	155 Å²	155	141.6 Å²	141.6	83%	0.829	83%	0.827	S	S	*	*				60.9	139.5	81.9	-100.8	-27.2	0	0	0	115.2
223	T	32.1	Very low	28.6	Very low	126 Å²	126	142.9 Å²	142.9	77%	0.773	82%	0.821	S	S	*	*			cis	-144.2	158.9	12.3	-26.2	0	0	0	0	111.7
224	S	32.7	Very low	28.2	Very low	116 Å²	116	138.8 Å²	138.8	81%	0.811	81%	0.814	S	S	*	*			trans	-83.5	146.7	177.7	-48.2	0	0	0	0	115.1
225	R	32.7	Very low	28.2	Very low	252 Å²	252	140.8 Å²	140.8	95%	0.951	81%	0.806	S	S	*	*			trans	-154.4	137.5	151.1	-106.8	178.6	-176.8	-174.5	0.6	109.6
226	G	26	Very low	28.1	Very low	72 Å²	72	144.4 Å²	144.4	74%	0.742	80%	0.799	S	S	*	*			trans	-136.5	172.3	175.5	0	0	0	0	0	111.7
227	I	29.8	Very low	28.1	Very low	174 Å²	174	141 Å²	141	89%	0.892	80%	0.796	S	S	*	*			trans	-166.4	141.1	163	-98.7	147.4	0	0	0	106.9
228	E	24.4	Very low	28.3	Very low	156 Å²	156	144.1 Å²	144.1	73%	0.729	79%	0.793	S	S	*	*			trans	-93	148	171.3	-63.2	173.4	109.7	0	0	110.6
229	F	24.5	Very low	28.5	Very low	168 Å²	168	142.8 Å²	142.8	74%	0.737	80%	0.796	S	S	*	*				162.5	136.9	107.6	-100.6	-74.7	0	0	0	115
230	Q	22.6	Very low	28.4	Very low	186 Å²	186	138.8 Å²	138.8	87%	0.869	79%	0.787	S	S	*	*			trans	62.4	175	147	-129.3	159.3	9.8	0	0	119.2
231	A	23.7	Very low	28.5	Very low	83 Å²	83	139.2 Å²	139.2	69%	0.686	79%	0.789	S	S	*	*			trans	-154	150.9	-153.6	0	0	0	0	0	114.9
232	V	24.8	Very low	28.5	Very low	139 Å²	139	140.6 Å²	140.6	84%	0.842	79%	0.794	S	S	*	*			trans	70.7	150.8	157.7	171.2	0	0	0	0	115.4
233	P	34.3	Very low	28.5	Very low	104 Å²	104	140.6 Å²	140.6	68%	0.675	79%	0.793	S	S	*	*			cis	-124.9	169.7	0.6	32.2	-13.3	0	0	0	117.1
234	S	24.4	Very low	28.2	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	79%	0.794	S	S	*	*			trans	62.7	150.8	147.1	-68.6	0	0	0	0	119.8
235	E	29.2	Very low	28	Very low	143 Å²	143	141.8 Å²	141.8	67%	0.668	79%	0.793	S	S	*	*			cis	-168.1	176.1	-8.2	-120	-163.3	-175.6	0	0	108.6
236	K	27.8	Very low	27.8	Very low	157 Å²	157	135.4 Å²	135.4	68%	0.683	78%	0.782	S	S	*	*			cis	-160.7	149.1	-4.3	-152.5	-171.6	-158.6	77.4	0	108.2
237	S	26.1	Very low	28.1	Very low	119 Å²	119	136.4 Å²	136.4	83%	0.832	78%	0.783	S	S	*	*			trans	-178.1	165.7	139	-156.3	0	0	0	0	111.6
238	E	35.8	Very low	28.1	Very low	173 Å²	173	136.8 Å²	136.8	81%	0.808	77%	0.773	S	S	*	*			trans	-112.6	139.4	-160.6	-56.1	164.1	121.7	0	0	114.5
239	V	30.8	Very low	28.8	Very low	152 Å²	152	139 Å²	139	92%	0.921	78%	0.784	S	S	*	*			trans	-146.6	124.6	152.6	-178.3	0	0	0	0	111.1
240	G	27.7	Very low	29.4	Very low	72 Å²	72	137.4 Å²	137.4	74%	0.742	78%	0.779	S	S	*	*			trans	60.2	93.7	141.9	0	0	0	0	0	120.3
241	Q	30.7	Very low	30.1	Very low	203 Å²	203	135.1 Å²	135.1	95%	0.949	77%	0.772	S	S	*	*			trans	-71.3	139	156.1	-69	175.4	-24.2	0	0	110.9
242	A	29.1	Very low	30.6	Very low	93 Å²	93	135.5 Å²	135.5	77%	0.769	77%	0.769	S	S	*	*			trans	-140.1	83.9	174.7	0	0	0	0	0	112.4
243	L	29.9	Very low	31.8	Very low	154 Å²	154	136.1 Å²	136.1	81%	0.806	76%	0.761	S	S	*	*			trans	48.2	75.2	151.5	-56.8	176.4	0	0	0	117.5	L245	L243-L245 PolarHBondContact O-N 2.96Å
244	C	26	Very low	32.5	Very low	116 Å²	116	139.6 Å²	139.6	78%	0.784	77%	0.768	S	S	*	*			trans	-61.7	116.5	136.1	179.5	0	0	0	0	107	T246	C244-T246 VanDerWaalsContact C-N 3.34Å; C244-T246 PolarHBondContact O-N 3.06Å
245	L	28.6	Very low	33.8	Very low	152 Å²	152	140.4 Å²	140.4	80%	0.796	76%	0.763	S	S	*	*			trans	-72.5	94	170.6	-75.7	174.8	0	0	0	108.3	L243 A247	L243-L245 PolarHBondContact O-N 2.96Å; L245-A247 PolarHBondContact O-N 2.72Å
246	T	28.3	Very low	35.2	Very low	118 Å²	118	136.6 Å²	136.6	72%	0.724	75%	0.746	S	S	*	*			trans	-54.9	111.2	162.1	50.9	0	0	0	0	107.9	C244 R248	C244-T246 VanDerWaalsContact C-N 3.34Å; C244-T246 PolarHBondContact O-N 3.06Å; T246-R248 PolarHBondContact O-N 3.42Å
247	A	32.3	Very low	36.9	Very low	93 Å²	93	130.8 Å²	130.8	77%	0.769	72%	0.723	S	S	*	*			trans	-53.8	124.6	166.5	0	0	0	0	0	107.4	L245 E249	L245-A247 PolarHBondContact O-N 2.72Å; A247-E249 PolarHBondContact O-N 3.36Å
248	R	29.7	Very low	38.8	Very low	181 Å²	181	128.2 Å²	128.2	68%	0.683	70%	0.699	S	S	*	*			trans	-66.9	134.6	-179.5	-73.6	177.7	167.8	-128.7	3.6	108.3	T246 E250 D251	T246-R248 PolarHBondContact O-N 3.42Å; R248-E250 HydrophobicContact CB-CB 4.09Å; R248-E250 HydrophobicContact CB-CG 4.39Å; R248-E250 WeakPolarHBondContact CD-OE2 3.33Å; R248-E250 IonicContact CZ-OE2 2.66Å; R248-E250 IonicContact NE-OE2 3.87Å; R248-E250 IonicContact NH1-OE2 3.79Å; R248-E250 PolarHBondContact NH1-OE2 2.75Å; R248-E250 PolarHBondContact O-N 3.3Å; R248-D251 PolarHBondContact O-N 3.47Å
249	E	38.1	Very low	40.7	Very low	204 Å²	204	123.7 Å²	123.7	95%	0.953	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	25.9	168.3	-59.9	179.5	115.9	0	0	112.1	A247	A247-E249 PolarHBondContact O-N 3.36Å
250	E	37.8	Very low	43.2	Very low	134 Å²	134	120.8 Å²	120.8	63%	0.626	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113	-8	-178.7	-62.1	-177.4	131.1	0	0	112.6	R248 C252	R248-E250 HydrophobicContact CB-CB 4.09Å; R248-E250 HydrophobicContact CB-CG 4.39Å; R248-E250 WeakPolarHBondContact CD-OE2 3.33Å; R248-E250 IonicContact CZ-OE2 2.66Å; R248-E250 IonicContact NE-OE2 3.87Å; R248-E250 IonicContact NH1-OE2 3.79Å; R248-E250 PolarHBondContact NH1-OE2 2.75Å; R248-E250 PolarHBondContact O-N 3.3Å; E250-C252 PolarHBondContact O-N 3.2Å
251	D	36	Very low	46	Very low	137 Å²	137	117.3 Å²	117.3	73%	0.733	64%	0.635	S	S	*	*	S	Bend	trans	-71.4	65.6	160.7	-81.1	-13.8	0	0	0	108.8	R248	R248-D251 PolarHBondContact O-N 3.47Å
252	C	36.1	Very low	48.8	Very low	92 Å²	92	110.5 Å²	110.5	62%	0.622	61%	0.608	S	S	*	*			trans	-59.2	140.7	-176.4	-174	0	0	0	0	110.3	E250 Q254	E250-C252 PolarHBondContact O-N 3.2Å; C252-Q254 VanDerWaalsContact C-N 3.31Å; C252-Q254 PolarHBondContact O-N 3Å
253	F	49.7	Very low	51.8	Low	151 Å²	151	109.6 Å²	109.6	66%	0.662	60%	0.595	S	S	*	*			trans	-60	87.6	178.9	-68	-91.1	0	0	0	111.2	I255 K547	F253-I255 PolarHBondContact O-N 3.09Å; F253-K547 HydrophobicContact CE1-CG 3.78Å; F253-K547 HydrophobicContact CZ-CG 4.07Å
254	Q	49.2	Very low	54.9	Low	177 Å²	177	102.8 Å²	102.8	83%	0.827	56%	0.56	S	S	*	*			trans	-74.8	79	178.8	-78	-177.8	74.3	0	0	110.5	C252	C252-Q254 VanDerWaalsContact C-N 3.31Å; C252-Q254 PolarHBondContact O-N 3Å
255	I	51.4	Low	58.2	Low	128 Å²	128	101.1 Å²	101.1	66%	0.656	55%	0.548	S	S	*	.			trans	42.3	88.8	156.5	-47.1	-178.6	0	0	0	114	F253 D257	F253-I255 PolarHBondContact O-N 3.09Å; I255-D257 VanDerWaalsContact C-N 3.32Å; I255-D257 PolarHBondContact O-N 3.31Å
256	L	58.9	Low	61.4	Low	63 Å²	63	94.8 Å²	94.8	33%	0.33	51%	0.514	S	S	.	.			trans	-57.6	98.6	152.5	-74.3	171	0	0	0	109	D258 V380 V384 L542 A543 A546	L256-D258 PolarHBondContact O-N 2.96Å; L256-V380 HydrophobicContact CD2-CG1 3.51Å; L256-V384 HydrophobicContact CD2-CG2 4.11Å; L256-L542 HydrophobicContact CB-CD2 4.41Å; L256-L542 HydrophobicContact CD1-CD2 4.25Å; L256-L542 HydrophobicContact CD1-CG 3.86Å; L256-L542 HydrophobicContact CD2-CD1 4.13Å; L256-L542 HydrophobicContact CD2-CD2 4.06Å; L256-L542 HydrophobicContact CD2-CG 3.84Å; L256-L542 HydrophobicContact CG-CD2 4.49Å; L256-L542 HydrophobicContact CG-CG 4.38Å; L256-A543 HydrophobicContact CD1-CB 4.23Å; L256-A546 HydrophobicContact CD1-CB 3.89Å; L256-A546 HydrophobicContact CD2-CB 4.43Å; L256-A546 HydrophobicContact CG-CB 4.39Å
257	D	61.8	Low	64.6	Low	34 Å²	34	94.3 Å²	94.3	18%	0.182	51%	0.513	C	S	.	.			trans	-79.2	62.4	177.1	-151.8	-4.8	0	0	0	110.4	I255 C259 H419 L420	I255-D257 VanDerWaalsContact C-N 3.32Å; I255-D257 PolarHBondContact O-N 3.31Å; D257-C259 PolarHBondContact O-N 2.86Å; D257-H419 HydrophobicContact CB-CB 4.24Å; D257-L420 HydrophobicContact CB-CD2 4.4Å; D257-L420 VanDerWaalsContact OD2-CG 3.25Å; D257-L420 WeakPolarHBondContact OD2-CG 3.42Å
258	D	65.9	Low	67.7	Low	65 Å²	65	92.7 Å²	92.7	35%	0.348	49%	0.49	S	S	.	.			trans	-79.5	14.6	169	-162.8	39.9	0	0	0	111.5	L256 R387 L542	L256-D258 PolarHBondContact O-N 2.96Å; D258-R387 WeakPolarHBondContact OD1-CD 3.45Å; D258-R387 IonicContact OD1-CZ 3.39Å; D258-R387 IonicContact OD1-NE 2.68Å; D258-R387 PolarHBondContact OD1-NE 2.93Å; D258-R387 IonicContact OD1-NH2 3.89Å; D258-R387 IonicContact OD2-CZ 2.64Å; D258-R387 IonicContact OD2-NE 3.68Å; D258-R387 PolarHBondContact OD2-NE 2.86Å; D258-R387 IonicContact OD2-NH2 2.71Å; D258-R387 PolarHBondContact OD2-NH2 3.03Å; D258-L542 HydrophobicContact CB-CD2 3.81Å
259	C	77.2	Confident	70.8	Confident	79 Å²	79	88.7 Å²	88.7	53%	0.534	48%	0.475	S	S	.	.	S	Bend	trans	-79.3	140	169.4	-68.9	0	0	0	0	109.4	D257 L420	D257-C259 PolarHBondContact O-N 2.86Å; C259-L420 WeakPolarHBondContact O-CD2 3.44Å
260	P	81.8	Confident	73.7	Confident	90 Å²	90	86 Å²	86	58%	0.584	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-65.6	139.8	172.9	28.2	-34.1	0	0	0	109.7	R339	P260-R339 HydrophobicContact CB-CB 4.39Å; P260-R339 HydrophobicContact CB-CG 4.43Å
261	P	87.5	Confident	76.5	Confident	0 Å²	0	80 Å²	80	0%	0	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-56.2	159.1	-174.2	9.9	-22.2	0	0	0	114.4	R339 N340 V414 L420	P261-R339 HydrophobicContact CG-CB 4.03Å; P261-R339 WeakPolarHBondContact O-CB 3.44Å; P261-R339 WeakPolarHBondContact O-CD 3.46Å; P261-R339 WeakPolarHBondContact O-CG 3.49Å; P261-R339 PolarHBondContact O-NH1 3.35Å; P261-N340 VanDerWaalsContact CD-ND2 3.27Å; P261-N340 WeakPolarHBondContact CD-ND2 3.12Å; P261-N340 WeakPolarHBondContact CG-ND2 3.39Å; P261-V414 HydrophobicContact CB-CG2 3.99Å; P261-L420 HydrophobicContact CB-CB 4.23Å; P261-L420 HydrophobicContact CB-CD1 4.46Å; P261-L420 HydrophobicContact CB-CD2 4.31Å
262	P	89.5	Confident	79.4	Confident	59 Å²	59	80.8 Å²	80.8	38%	0.383	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-55.8	150.9	175.9	24.4	-34.4	0	0	0	111.3	V414 K422	P262-V414 HydrophobicContact CG-CG1 4.03Å; P262-K422 PolarHBondContact O-NZ 3.12Å
263	P	92.2	Very high	82.3	Confident	75 Å²	75	78 Å²	78	49%	0.487	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-61.7	160.9	172.1	31.6	-34.3	0	0	0	109.4
264	A	94.8	Very high	84.6	Confident	10 Å²	10	76.4 Å²	76.4	8%	0.083	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-54.2	152	164.6	0	0	0	0	0	110.1	F266 Q343 E359	A264-F266 HydrophobicContact CB-CD1 4.31Å; A264-F266 HydrophobicContact CB-CD2 4.3Å; A264-F266 HydrophobicContact CB-CE1 4.1Å; A264-F266 HydrophobicContact CB-CE2 4.09Å; A264-F266 HydrophobicContact CB-CG 4.42Å; A264-F266 HydrophobicContact CB-CZ 3.99Å; A264-F266 PolarHBondContact O-N 2.83Å; A264-Q343 HydrophobicContact CB-CB 3.74Å; A264-Q343 HydrophobicContact CB-CG 3.7Å; A264-E359 WeakPolarHBondContact CA-OE1 3.3Å; A264-E359 HydrophobicContact CB-CB 4.3Å; A264-E359 HydrophobicContact CB-CG 4.14Å
265	P	94.9	Very high	86.8	Confident	82 Å²	82	73.7 Å²	73.7	53%	0.532	40%	0.4	S	S	.	.	S	Bend	trans	-71.3	21.6	-179.5	29.6	-35	0	0	0	113.8	L308	P265-L308 HydrophobicContact CB-CD1 4.02Å; P265-L308 HydrophobicContact CG-CD1 4.05Å
266	F	96.3	Very high	88.8	Confident	18 Å²	18	69.1 Å²	69.1	8%	0.079	38%	0.384	C	S	.	.	S	Bend	trans	-152.6	151	178.5	49.3	-93.2	0	0	0	109.1	A264 L308 L310 Q343 Y345 E359	A264-F266 HydrophobicContact CB-CD1 4.31Å; A264-F266 HydrophobicContact CB-CD2 4.3Å; A264-F266 HydrophobicContact CB-CE1 4.1Å; A264-F266 HydrophobicContact CB-CE2 4.09Å; A264-F266 HydrophobicContact CB-CG 4.42Å; A264-F266 HydrophobicContact CB-CZ 3.99Å; A264-F266 PolarHBondContact O-N 2.83Å; F266-L308 HydrophobicContact CD1-CD2 4.14Å; F266-L310 HydrophobicContact CD1-CD2 4.13Å; F266-L310 HydrophobicContact CE1-CD2 3.61Å; F266-L310 HydrophobicContact CZ-CD2 4.47Å; F266-Q343 HydrophobicContact CE2-CB 3.73Å; F266-Q343 HydrophobicContact CZ-CB 3.96Å; F266-Y345 HydrophobicContact CB-CD2 4.05Å; F266-Y345 HydrophobicContact CB-CE2 3.95Å; F266-Y345 AromaticContact CD1-CD2 3.63Å; F266-Y345 HydrophobicContact CD1-CD2 3.63Å; F266-Y345 HydrophobicContact CD1-CE2 4.17Å; F266-Y345 AromaticContact CD2-CD2 3.74Å; F266-Y345 HydrophobicContact CD2-CD2 3.74Å; F266-Y345 HydrophobicContact CD2-CE2 4.45Å; F266-Y345 AromaticContact CE1-CD2 3.88Å; F266-Y345 HydrophobicContact CE1-CD2 3.88Å; F266-Y345 AromaticContact CE2-CD2 3.99Å; F266-Y345 HydrophobicContact CE2-CD2 3.99Å; F266-Y345 AromaticContact CG-CD2 3.54Å; F266-Y345 HydrophobicContact CG-CD2 3.54Å; F266-Y345 AromaticContact CG-CE2 3.97Å; F266-Y345 HydrophobicContact CG-CE2 3.97Å; F266-Y345 HydrophobicContact CZ-CD2 4.05Å; F266-Y345 HydrophobicContact CZ-CG 4.5Å; F266-E359 HydrophobicContact CE1-CB 4.13Å; F266-E359 HydrophobicContact CZ-CB 3.98Å
267	P	96	Very high	90.4	Very high	108 Å²	108	70.9 Å²	70.9	70%	0.701	39%	0.393	S	S	*	.			trans	-63.9	150.5	172.4	29.4	-35.7	0	0	0	110.6	R269	P267-R269 WeakPolarHBondContact O-CG 3.36Å
268	H	96.6	Very high	91.9	Very high	60 Å²	60	69.6 Å²	69.6	28%	0.278	39%	0.387	S	S	.	.			trans	-55.3	143.3	174.7	178.5	80.2	0	0	0	111.6	N334 N337 Q343	H268-N334 PolarHBondContact NE2-O 3.49Å; H268-N337 HydrophobicContact CB-CB 4.26Å; H268-Q343 PolarHBondContact ND1-OE1 2.9Å
269	R	96.3	Very high	93.1	Very high	97 Å²	97	69.6 Å²	69.6	37%	0.366	39%	0.392	S	S	.	.			trans	-132.5	135.6	-168.8	-50.4	-177.9	68.4	142.2	-2.7	110.7	P267 V271 N334 Y345	P267-R269 WeakPolarHBondContact O-CG 3.36Å; R269-V271 HydrophobicContact CB-CG2 3.92Å; R269-V271 PolarHBondContact O-N 3.4Å; R269-N334 PolarHBondContact O-OD1 3.4Å; R269-Y345 WeakPolarHBondContact CD-O 3.23Å; R269-Y345 PolarHBondContact NE-O 2.86Å; R269-Y345 PolarHBondContact NH1-OH 2.92Å; R269-Y345 VanDerWaalsContact NH1-OH 3.11Å
270	M	97.4	Very high	93.9	Very high	146 Å²	146	69.5 Å²	69.5	72%	0.719	39%	0.392	S	S	*	.			trans	-76.3	110.1	160.1	-57.8	-55.2	-66.5	0	0	107.6	N334	M270-N334 HydrophobicContact CE-CB 3.92Å; M270-N334 HydrophobicContact SD-CB 4.36Å
271	V	97.6	Very high	94.5	Very high	9 Å²	9	68.6 Å²	68.6	6%	0.055	38%	0.38	C	S	.	.			trans	-102.6	128.3	-175.9	175.1	0	0	0	0	110.5	R269 I330 N334 L344 A347	R269-V271 HydrophobicContact CB-CG2 3.92Å; R269-V271 PolarHBondContact O-N 3.4Å; V271-I330 WeakPolarHBondContact O-CG2 3.34Å; V271-N334 PolarHBondContact N-ND2 3.19Å; V271-N334 PolarHBondContact N-OD1 2.8Å; V271-N334 PolarHBondContact O-ND2 3.24Å; V271-L344 HydrophobicContact CB-CD2 3.75Å; V271-L344 HydrophobicContact CB-CG 4.13Å; V271-L344 HydrophobicContact CG1-CD2 3.85Å; V271-L344 HydrophobicContact CG1-CG 4.16Å; V271-L344 HydrophobicContact CG2-CB 4.41Å; V271-L344 HydrophobicContact CG2-CD2 4.14Å; V271-L344 HydrophobicContact CG2-CG 3.97Å; V271-A347 HydrophobicContact CG1-CB 3.76Å
272	E	97.1	Very high	94.9	Very high	154 Å²	154	68.8 Å²	68.8	72%	0.72	38%	0.381	S	S	*	.			trans	-105.4	150	171	-64.3	179.7	168.4	0	0	110.1	R274	E272-R274 PolarHBondContact O-N 3.11Å
273	L	97.3	Very high	95.1	Very high	34 Å²	34	69.3 Å²	69.3	18%	0.178	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	107.6	173.7	-178.3	63.1	0	0	0	110	K323 L327 I330 A347 E349 I354	L273-K323 HydrophobicContact CD2-CG 4.34Å; L273-L327 HydrophobicContact CB-CD2 3.85Å; L273-L327 HydrophobicContact CD2-CD2 3.81Å; L273-L327 HydrophobicContact CD2-CG 4.25Å; L273-L327 HydrophobicContact CG-CD2 4.5Å; L273-I330 HydrophobicContact CB-CD1 4.04Å; L273-I330 HydrophobicContact CD1-CD1 4.33Å; L273-A347 HydrophobicContact CD1-CB 3.9Å; L273-E349 HydrophobicContact CD1-CB 3.98Å; L273-E349 HydrophobicContact CD2-CB 4.42Å; L273-E349 HydrophobicContact CG-CB 4.14Å; L273-I354 HydrophobicContact CD1-CG2 3.56Å; L273-I354 HydrophobicContact CD2-CD1 4.11Å
274	R	96.5	Very high	95.1	Very high	116 Å²	116	69.2 Å²	69.2	44%	0.438	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.9	-177.1	-55.9	179.4	-55.8	162.2	14.6	111.1	E272 G276 E281 A347 I348 E349	E272-R274 PolarHBondContact O-N 3.11Å; R274-G276 PolarHBondContact O-N 3.08Å; R274-E281 IonicContact CZ-OE2 2.84Å; R274-E281 IonicContact NH1-OE2 3.6Å; R274-E281 IonicContact NH2-OE1 3.33Å; R274-E281 PolarHBondContact NH2-OE1 3.35Å; R274-E281 IonicContact NH2-OE2 3Å; R274-E281 PolarHBondContact NH2-OE2 2.86Å; R274-A347 PolarHBondContact N-O 3.32Å; R274-A347 VanDerWaalsContact N-O 3.16Å; R274-I348 CarbonylContact O-C 3.35Å; R274-I348 VanDerWaalsContact O-CA 3.3Å; R274-I348 WeakPolarHBondContact O-CA 3.38Å; R274-E349 PolarHBondContact O-N 3.36Å
275	T	96.1	Very high	94.7	Very high	121 Å²	121	71.4 Å²	71.4	74%	0.742	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	128.3	171.7	-50.4	0	0	0	0	110.1	E349	T275-E349 WeakPolarHBondContact CA-O 3.46Å
276	G	93.1	Very high	93.7	Very high	31 Å²	31	72.2 Å²	72.2	32%	0.32	40%	0.398	S	S	.	.			trans	-172.9	176.5	-176.8	0	0	0	0	0	114.9	R274 E349	R274-G276 PolarHBondContact O-N 3.08Å; G276-E349 PolarHBondContact N-O 2.8Å
277	N	92.1	Very high	92.5	Very high	100 Å²	100	80.8 Å²	80.8	54%	0.535	44%	0.435	S	S	.	.			trans	-96.8	109.8	172	-178.8	-11.4	0	0	0	109	S279 S280	N277-S279 VanDerWaalsContact CG-OG 3.28Å; N277-S279 PolarHBondContact ND2-OG 3.42Å; N277-S279 PolarHBondContact O-N 2.94Å; N277-S279 WeakPolarHBondContact OD1-CB 3.46Å; N277-S279 PolarHBondContact OD1-N 3.36Å; N277-S279 PolarHBondContact OD1-OG 2.93Å; N277-S280 PolarHBondContact O-N 3.33Å; N277-S280 PolarHBondContact O-OG 3.31Å
278	V	93.6	Very high	91.5	Very high	8 Å²	8	80.4 Å²	80.4	5%	0.048	42%	0.424	C	S	.	.	H	α-helix	trans	-49	-36.5	178.9	169	0	0	0	0	112.9	S280 E281 F282 M284 I348 T350 V355 F357	V278-S280 VanDerWaalsContact C-N 3.29Å; V278-S280 PolarHBondContact O-N 2.79Å; V278-E281 PolarHBondContact O-N 3.31Å; V278-F282 HydrophobicContact CG1-CB 4.3Å; V278-F282 PolarHBondContact O-N 3.16Å; V278-M284 HydrophobicContact CB-CE 4.47Å; V278-M284 HydrophobicContact CG1-CE 3.67Å; V278-M284 HydrophobicContact CG1-CG 4.07Å; V278-M284 HydrophobicContact CG1-SD 3.72Å; V278-I348 HydrophobicContact CG2-CB 4.05Å; V278-I348 HydrophobicContact CG2-CD1 4.46Å; V278-I348 HydrophobicContact CG2-CG2 3.78Å; V278-T350 HydrophobicContact CG2-CG2 3.95Å; V278-V355 HydrophobicContact CG2-CB 4.2Å; V278-V355 HydrophobicContact CG2-CG2 3.91Å; V278-F357 HydrophobicContact CG1-CE1 4.34Å; V278-F357 HydrophobicContact CG1-CZ 3.72Å; V278-F357 HydrophobicContact CG2-CZ 4.16Å
279	S	92.3	Very high	90.6	Very high	65 Å²	65	81.2 Å²	81.2	46%	0.455	44%	0.441	S	S	.	.	H	α-helix	trans	-74	-6.2	-177.7	70.3	0	0	0	0	115.5	N277 K304	N277-S279 VanDerWaalsContact CG-OG 3.28Å; N277-S279 PolarHBondContact ND2-OG 3.42Å; N277-S279 PolarHBondContact O-N 2.94Å; N277-S279 WeakPolarHBondContact OD1-CB 3.46Å; N277-S279 PolarHBondContact OD1-N 3.36Å; N277-S279 PolarHBondContact OD1-OG 2.93Å; S279-K304 PolarHBondContact O-NZ 2.59Å
280	S	92.6	Very high	89.8	Confident	77 Å²	77	80.5 Å²	80.5	54%	0.538	44%	0.444	S	S	.	.	H	α-helix	trans	-79.8	-42.7	170.2	54.6	0	0	0	0	112.1	N277 V278	N277-S280 PolarHBondContact O-N 3.33Å; N277-S280 PolarHBondContact O-OG 3.31Å; V278-S280 VanDerWaalsContact C-N 3.29Å; V278-S280 PolarHBondContact O-N 2.79Å
281	E	94.1	Very high	88.6	Confident	70 Å²	70	75.2 Å²	75.2	33%	0.327	43%	0.427	S	S	.	.	H	α-helix	trans	-93.4	-34.1	-177	-72.6	168.5	-86.4	0	0	112.9	R274 V278 K304	R274-E281 IonicContact CZ-OE2 2.84Å; R274-E281 IonicContact NH1-OE2 3.6Å; R274-E281 IonicContact NH2-OE1 3.33Å; R274-E281 PolarHBondContact NH2-OE1 3.35Å; R274-E281 IonicContact NH2-OE2 3Å; R274-E281 PolarHBondContact NH2-OE2 2.86Å; V278-E281 PolarHBondContact O-N 3.31Å; E281-K304 WeakPolarHBondContact O-CB 3.33Å; E281-K304 PolarHBondContact O-N 3.27Å
282	F	96.4	Very high	87	Confident	5 Å²	5	78.2 Å²	78.2	2%	0.022	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	157.7	-170.7	-60.3	-86	0	0	0	113.3	V278 K302 E303 K304 L310 Y345 A346 I348 F357	V278-F282 HydrophobicContact CG1-CB 4.3Å; V278-F282 PolarHBondContact O-N 3.16Å; F282-K302 CarbonylContact C-O 3.46Å; F282-K302 WeakPolarHBondContact CA-O 3.48Å; F282-E303 HydrophobicContact CD1-CB 4.04Å; F282-E303 HydrophobicContact CD1-CG 4.4Å; F282-E303 HydrophobicContact CE1-CB 3.84Å; F282-E303 HydrophobicContact CE1-CG 3.99Å; F282-K304 WeakPolarHBondContact O-CE 3.25Å; F282-L310 HydrophobicContact CD1-CD1 4.46Å; F282-L310 HydrophobicContact CE1-CD1 3.84Å; F282-Y345 HydrophobicContact CE1-CD1 4.21Å; F282-Y345 HydrophobicContact CE1-CE1 4.09Å; F282-Y345 HydrophobicContact CZ-CD1 4.15Å; F282-Y345 HydrophobicContact CZ-CE1 4.05Å; F282-A346 HydrophobicContact CZ-CB 4.23Å; F282-I348 HydrophobicContact CD2-CD1 3.98Å; F282-I348 HydrophobicContact CE2-CD1 3.84Å; F282-F357 HydrophobicContact CB-CE1 3.83Å; F282-F357 HydrophobicContact CB-CZ 4.27Å; F282-F357 AromaticContact CD1-CD1 3.76Å; F282-F357 HydrophobicContact CD1-CD1 3.76Å; F282-F357 AromaticContact CD1-CE1 3.87Å; F282-F357 HydrophobicContact CD1-CE1 3.87Å; F282-F357 HydrophobicContact CD1-CG 4.38Å; F282-F357 HydrophobicContact CD2-CD1 4.17Å; F282-F357 HydrophobicContact CD2-CD2 4.35Å; F282-F357 AromaticContact CD2-CE1 3.74Å; F282-F357 HydrophobicContact CD2-CE1 3.74Å; F282-F357 AromaticContact CD2-CE2 3.95Å; F282-F357 HydrophobicContact CD2-CE2 3.95Å; F282-F357 HydrophobicContact CD2-CG 4.47Å; F282-F357 AromaticContact CD2-CZ 3.63Å; F282-F357 HydrophobicContact CD2-CZ 3.63Å; F282-F357 AromaticContact CE1-CD1 3.95Å; F282-F357 HydrophobicContact CE1-CD1 3.95Å; F282-F357 HydrophobicContact CE1-CE1 4.42Å; F282-F357 HydrophobicContact CE1-CG 4.13Å; F282-F357 HydrophobicContact CE2-CD1 4.35Å; F282-F357 HydrophobicContact CE2-CD2 4.04Å; F282-F357 HydrophobicContact CE2-CE1 4.31Å; F282-F357 AromaticContact CE2-CE2 4Å; F282-F357 HydrophobicContact CE2-CE2 4Å; F282-F357 HydrophobicContact CE2-CG 4.23Å; F282-F357 HydrophobicContact CE2-CZ 4.14Å; F282-F357 AromaticContact CG-CD1 3.89Å; F282-F357 HydrophobicContact CG-CD1 3.89Å; F282-F357 AromaticContact CG-CE1 3.51Å; F282-F357 HydrophobicContact CG-CE1 3.51Å; F282-F357 AromaticContact CG-CZ 3.9Å; F282-F357 HydrophobicContact CG-CZ 3.9Å; F282-F357 HydrophobicContact CZ-CD1 4.25Å; F282-F357 HydrophobicContact CZ-CD2 4.24Å; F282-F357 HydrophobicContact CZ-CG 4.06Å
283	S	94.4	Very high	85.5	Confident	70 Å²	70	73.6 Å²	73.6	49%	0.49	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	109.7	169	-168.4	0	0	0	0	108.6	C301 K302	S283-C301 CarbonylContact O-C 3.55Å; S283-C301 WeakPolarHBondContact O-CA 3.41Å; S283-C301 WeakPolarHBondContact O-CB 3.47Å; S283-K302 PolarHBondContact N-O 3.27Å; S283-K302 PolarHBondContact O-N 2.78Å
284	M	91.8	Very high	83.7	Confident	73 Å²	73	79 Å²	79	36%	0.36	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	138.9	178.6	-61.2	-173	-63.8	0	0	110.6	V278 C301 A312 V314 V355	V278-M284 HydrophobicContact CB-CE 4.47Å; V278-M284 HydrophobicContact CG1-CE 3.67Å; V278-M284 HydrophobicContact CG1-CG 4.07Å; V278-M284 HydrophobicContact CG1-SD 3.72Å; M284-C301 HydrophobicContact CB-CB 4.41Å; M284-C301 HydrophobicContact CG-CB 4.07Å; M284-A312 HydrophobicContact SD-CB 4.33Å; M284-V314 HydrophobicContact SD-CG2 4.39Å; M284-V355 HydrophobicContact SD-CG1 4.37Å
285	N	86.1	Confident	82.2	Confident	55 Å²	55	75.8 Å²	75.8	29%	0.294	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	83.5	175.5	-174.3	5	0	0	0	110.7	K287 E288 T300	N285-K287 PolarHBondContact O-N 2.93Å; N285-K287 WeakPolarHBondContact OD1-CB 3.38Å; N285-K287 PolarHBondContact OD1-N 2.75Å; N285-E288 WeakPolarHBondContact ND2-CG 3.12Å; N285-E288 PolarHBondContact ND2-OE1 3.48Å; N285-E288 PolarHBondContact ND2-OE2 3.33Å; N285-E288 PolarHBondContact O-N 3.36Å; N285-T300 PolarHBondContact N-O 3.25Å
286	S	74.8	Confident	81.1	Confident	99 Å²	99	71.1 Å²	71.1	69%	0.692	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	-1.8	-179.4	-42.4	0	0	0	0	115.1
287	K	70.3	Confident	80.8	Confident	198 Å²	198	72.3 Å²	72.3	86%	0.861	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	-25.8	170.4	-60.3	179.9	179.5	179	0	112.3	N285 A289	N285-K287 PolarHBondContact O-N 2.93Å; N285-K287 WeakPolarHBondContact OD1-CB 3.38Å; N285-K287 PolarHBondContact OD1-N 2.75Å; K287-A289 PolarHBondContact O-N 3.08Å
288	E	75.4	Confident	80.7	Confident	101 Å²	101	69.3 Å²	69.3	47%	0.472	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	67.8	173.3	-75.9	167.4	-152.4	0	0	109.2	N285 L290 C299 T300	N285-E288 WeakPolarHBondContact ND2-CG 3.12Å; N285-E288 PolarHBondContact ND2-OE1 3.48Å; N285-E288 PolarHBondContact ND2-OE2 3.33Å; N285-E288 PolarHBondContact O-N 3.36Å; E288-L290 PolarHBondContact O-N 3.29Å; E288-C299 VanDerWaalsContact O-CA 3.28Å; E288-C299 WeakPolarHBondContact O-CA 3.4Å; E288-C299 WeakPolarHBondContact O-CB 3.29Å; E288-T300 HydrophobicContact CB-CG2 3.95Å; E288-T300 WeakPolarHBondContact CB-OG1 3.42Å; E288-T300 PolarHBondContact O-N 3.26Å; E288-T300 VanDerWaalsContact O-N 3.13Å; E288-T300 WeakPolarHBondContact OE2-CB 3.4Å; E288-T300 WeakPolarHBondContact OE2-CG2 3.28Å; E288-T300 PolarHBondContact OE2-OG1 3.03Å
289	A	77.3	Confident	80.6	Confident	76 Å²	76	69.5 Å²	69.5	63%	0.628	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	116.8	170	0	0	0	0	0	109.4	K287 V298	K287-A289 PolarHBondContact O-N 3.08Å; A289-V298 CarbonylContact C-O 3.55Å; A289-V298 WeakPolarHBondContact CA-O 3.39Å
290	L	78.6	Confident	80.7	Confident	83 Å²	83	66.8 Å²	66.8	44%	0.435	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-28.7	177.1	-60.9	173.8	0	0	0	111.5	E288 V298 T300 A311 Y360	E288-L290 PolarHBondContact O-N 3.29Å; L290-V298 HydrophobicContact CB-CB 4.45Å; L290-V298 HydrophobicContact CB-CG1 4.25Å; L290-V298 HydrophobicContact CD1-CG1 4.31Å; L290-V298 PolarHBondContact N-O 2.93Å; L290-T300 HydrophobicContact CD1-CG2 3.98Å; L290-T300 HydrophobicContact CD2-CG2 3.74Å; L290-T300 HydrophobicContact CG-CG2 3.98Å; L290-A311 HydrophobicContact CD1-CB 4.21Å; L290-Y360 HydrophobicContact CD1-CD2 3.98Å; L290-Y360 HydrophobicContact CD1-CE2 3.75Å; L290-Y360 HydrophobicContact CD2-CE2 3.96Å
291	G	73.4	Confident	80.8	Confident	35 Å²	35	63.3 Å²	63.3	36%	0.361	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	171.1	177.8	0	0	0	0	0	112.4	V298	G291-V298 PolarHBondContact N-O 2.64Å; G291-V298 PolarHBondContact O-N 3.2Å
292	G	64	Low	81	Confident	71 Å²	71	65.6 Å²	65.6	73%	0.732	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-162.3	137.9	175.6	0	0	0	0	0	111.7	G296	G292-G296 WeakPolarHBondContact CA-O 3.25Å
293	G	64.6	Low	81	Confident	57 Å²	57	66.6 Å²	66.6	59%	0.588	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-169.3	-160.6	-175.7	0	0	0	0	0	113.5	F295 G296	G293-F295 PolarHBondContact O-N 3.39Å; G293-G296 PolarHBondContact N-O 3.13Å; G293-G296 PolarHBondContact O-N 2.71Å
294	K	61.2	Low	81.1	Confident	148 Å²	148	69.1 Å²	69.1	64%	0.643	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-31.6	-178.6	-171.7	178.4	-178.4	179.2	0	113.1	F442	K294-F442 PolarHBondContact NZ-O 3.39Å
295	F	64.2	Low	81.3	Confident	49 Å²	49	70.1 Å²	70.1	22%	0.215	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	16	-175.8	-49.1	-64.6	0	0	0	114.1	G293 K313 D425 L428	G293-F295 PolarHBondContact O-N 3.39Å; F295-K313 WeakPolarHBondContact O-CE 3.16Å; F295-D425 WeakPolarHBondContact CD2-OD2 3.31Å; F295-L428 HydrophobicContact CE1-CD2 4Å; F295-L428 HydrophobicContact CE1-CG 4.06Å; F295-L428 HydrophobicContact CZ-CD1 4.05Å; F295-L428 HydrophobicContact CZ-CD2 4.17Å; F295-L428 HydrophobicContact CZ-CG 3.77Å
296	G	73.3	Confident	81.7	Confident	22 Å²	22	72.1 Å²	72.1	23%	0.227	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116.3	-170.1	176.1	0	0	0	0	0	114.6	G292 G293 V314	G292-G296 WeakPolarHBondContact CA-O 3.25Å; G293-G296 PolarHBondContact N-O 3.13Å; G293-G296 PolarHBondContact O-N 2.71Å; G296-V314 WeakPolarHBondContact CA-O 3.14Å
297	A	86.1	Confident	82.7	Confident	56 Å²	56	69.5 Å²	69.5	46%	0.463	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139	172.6	0	0	0	0	0	109.7	V314	A297-V314 PolarHBondContact N-O 3.12Å; A297-V314 PolarHBondContact O-N 3.11Å
298	V	90.3	Very high	84	Confident	38 Å²	38	61.9 Å²	61.9	23%	0.23	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.1	-179.8	-169.3	0	0	0	0	109.4	A289 L290 G291 A311 A312 K313	A289-V298 CarbonylContact C-O 3.55Å; A289-V298 WeakPolarHBondContact CA-O 3.39Å; L290-V298 HydrophobicContact CB-CB 4.45Å; L290-V298 HydrophobicContact CB-CG1 4.25Å; L290-V298 HydrophobicContact CD1-CG1 4.31Å; L290-V298 PolarHBondContact N-O 2.93Å; G291-V298 PolarHBondContact N-O 2.64Å; G291-V298 PolarHBondContact O-N 3.2Å; V298-A311 HydrophobicContact CG1-CB 4.29Å; V298-A312 VanDerWaalsContact CA-O 3.3Å; V298-A312 WeakPolarHBondContact CA-O 3.22Å; V298-K313 HydrophobicContact CG2-CB 4.21Å; V298-K313 HydrophobicContact CG2-CG 4.32Å
299	C	92.4	Very high	85	Confident	11 Å²	11	60.6 Å²	60.6	7%	0.074	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	166	177.2	64.6	0	0	0	0	112.6	E288 A312	E288-C299 VanDerWaalsContact O-CA 3.28Å; E288-C299 WeakPolarHBondContact O-CA 3.4Å; E288-C299 WeakPolarHBondContact O-CB 3.29Å; C299-A312 PolarHBondContact N-O 3.3Å; C299-A312 PolarHBondContact O-N 3.45Å
300	T	93.8	Very high	85.9	Confident	9 Å²	9	57 Å²	57	6%	0.055	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	145.7	169.6	65.8	0	0	0	0	110.6	N285 E288 L290 Y360	N285-T300 PolarHBondContact N-O 3.25Å; E288-T300 HydrophobicContact CB-CG2 3.95Å; E288-T300 WeakPolarHBondContact CB-OG1 3.42Å; E288-T300 PolarHBondContact O-N 3.26Å; E288-T300 VanDerWaalsContact O-N 3.13Å; E288-T300 WeakPolarHBondContact OE2-CB 3.4Å; E288-T300 WeakPolarHBondContact OE2-CG2 3.28Å; E288-T300 PolarHBondContact OE2-OG1 3.03Å; L290-T300 HydrophobicContact CD1-CG2 3.98Å; L290-T300 HydrophobicContact CD2-CG2 3.74Å; L290-T300 HydrophobicContact CG-CG2 3.98Å; T300-Y360 HydrophobicContact CG2-CD2 4.48Å; T300-Y360 HydrophobicContact CG2-CE2 3.91Å
301	C	95.1	Very high	86.7	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.02	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	168.4	170.6	69	0	0	0	0	111.3	S283 M284 L310 A312	S283-C301 CarbonylContact O-C 3.55Å; S283-C301 WeakPolarHBondContact O-CA 3.41Å; S283-C301 WeakPolarHBondContact O-CB 3.47Å; M284-C301 HydrophobicContact CB-CB 4.41Å; M284-C301 HydrophobicContact CG-CB 4.07Å; C301-L310 PolarHBondContact N-O 3.46Å; C301-L310 PolarHBondContact O-N 2.92Å; C301-L310 PolarHBondContact SG-O 3.02Å; C301-A312 HydrophobicContact CB-CB 4.17Å
302	K	96.7	Very high	87.8	Confident	118 Å²	118	51.7 Å²	51.7	51%	0.513	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.6	172.1	-63.3	-174.3	180	-175.9	0	110.9	F282 S283 L308	F282-K302 CarbonylContact C-O 3.46Å; F282-K302 WeakPolarHBondContact CA-O 3.48Å; S283-K302 PolarHBondContact N-O 3.27Å; S283-K302 PolarHBondContact O-N 2.78Å; K302-L308 VanDerWaalsContact CA-O 3.25Å; K302-L308 WeakPolarHBondContact CA-O 3.48Å
303	E	97.1	Very high	89.2	Confident	26 Å²	26	48.7 Å²	48.7	12%	0.121	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	132	166.5	-172.1	-174.9	-114.5	0	0	109.5	F282 A305 T306 G307 L308 Y345	F282-E303 HydrophobicContact CD1-CB 4.04Å; F282-E303 HydrophobicContact CD1-CG 4.4Å; F282-E303 HydrophobicContact CE1-CB 3.84Å; F282-E303 HydrophobicContact CE1-CG 3.99Å; E303-A305 HydrophobicContact CG-CB 4.5Å; E303-A305 PolarHBondContact O-N 3.11Å; E303-T306 WeakPolarHBondContact OE2-CB 3.46Å; E303-T306 WeakPolarHBondContact OE2-CG2 3.43Å; E303-T306 PolarHBondContact OE2-OG1 2.58Å; E303-G307 VanDerWaalsContact O-CA 3.25Å; E303-G307 WeakPolarHBondContact O-CA 3.28Å; E303-G307 PolarHBondContact O-N 3.48Å; E303-L308 HydrophobicContact CB-CB 4.43Å; E303-L308 PolarHBondContact N-O 3.22Å; E303-Y345 WeakPolarHBondContact OE1-CE1 3.38Å; E303-Y345 VanDerWaalsContact OE1-CZ 3.29Å; E303-Y345 PolarHBondContact OE1-OH 2.83Å; E303-Y345 PolarHBondContact OE2-OH 2.68Å
304	K	96.3	Very high	90.6	Very high	124 Å²	124	47 Å²	47	54%	0.539	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-26.8	-174.9	-71.3	-179.1	169.3	-173.9	0	114	S279 E281 F282	S279-K304 PolarHBondContact O-NZ 2.59Å; E281-K304 WeakPolarHBondContact O-CB 3.33Å; E281-K304 PolarHBondContact O-N 3.27Å; F282-K304 WeakPolarHBondContact O-CE 3.25Å
305	A	95.6	Very high	92.1	Very high	94 Å²	94	41 Å²	41	78%	0.777	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-35.4	-176.8	0	0	0	0	0	113.2	E303	E303-A305 HydrophobicContact CG-CB 4.5Å; E303-A305 PolarHBondContact O-N 3.11Å
306	T	95.8	Very high	93.3	Very high	97 Å²	97	44.9 Å²	44.9	60%	0.595	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-19.5	-174.3	59.9	0	0	0	0	113.9	E303 L308	E303-T306 WeakPolarHBondContact OE2-CB 3.46Å; E303-T306 WeakPolarHBondContact OE2-CG2 3.43Å; E303-T306 PolarHBondContact OE2-OG1 2.58Å; T306-L308 VanDerWaalsContact C-N 3.26Å; T306-L308 VanDerWaalsContact OG1-CB 3.25Å; T306-L308 WeakPolarHBondContact OG1-CB 3.38Å; T306-L308 PolarHBondContact OG1-N 3.2Å
307	G	95.6	Very high	94.1	Very high	44 Å²	44	46.4 Å²	46.4	45%	0.454	26%	0.262	S	S	.	.			trans	79	1.3	-169.7	0	0	0	0	0	114.8	E303 K309	E303-G307 VanDerWaalsContact O-CA 3.25Å; E303-G307 WeakPolarHBondContact O-CA 3.28Å; E303-G307 PolarHBondContact O-N 3.48Å; G307-K309 PolarHBondContact O-N 2.82Å
308	L	96.7	Very high	94.2	Very high	38 Å²	38	51.8 Å²	51.8	20%	0.199	28%	0.277	C	S	.	.			trans	-55	123	-177	179.3	63.3	0	0	0	112.1	P265 F266 K302 E303 T306 L310 Y345	P265-L308 HydrophobicContact CB-CD1 4.02Å; P265-L308 HydrophobicContact CG-CD1 4.05Å; F266-L308 HydrophobicContact CD1-CD2 4.14Å; K302-L308 VanDerWaalsContact CA-O 3.25Å; K302-L308 WeakPolarHBondContact CA-O 3.48Å; E303-L308 HydrophobicContact CB-CB 4.43Å; E303-L308 PolarHBondContact N-O 3.22Å; T306-L308 VanDerWaalsContact C-N 3.26Å; T306-L308 VanDerWaalsContact OG1-CB 3.25Å; T306-L308 WeakPolarHBondContact OG1-CB 3.38Å; T306-L308 PolarHBondContact OG1-N 3.2Å; L308-L310 HydrophobicContact CD2-CD1 4.38Å; L308-L310 HydrophobicContact CD2-CD2 4.04Å; L308-L310 HydrophobicContact CD2-CG 4.31Å; L308-L310 HydrophobicContact CG-CD2 4.1Å; L308-L310 HydrophobicContact CG-CG 4.09Å; L308-Y345 HydrophobicContact CD2-CD2 4.16Å; L308-Y345 HydrophobicContact CD2-CE2 3.54Å
309	K	96.4	Very high	94	Very high	73 Å²	73	53 Å²	53	32%	0.317	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125.9	176.6	-171.9	-177.4	178.9	-170.8	0	109.6	G307 Y360 E362	G307-K309 PolarHBondContact O-N 2.82Å; K309-Y360 HydrophobicContact CD-CD1 3.7Å; K309-Y360 HydrophobicContact CD-CE1 3.86Å; K309-Y360 HydrophobicContact CD-CG 4.12Å; K309-Y360 HydrophobicContact CG-CD1 4.07Å; K309-Y360 HydrophobicContact CG-CD2 4.48Å; K309-Y360 HydrophobicContact CG-CG 3.99Å; K309-Y360 PolarHBondContact NZ-OH 2.76Å; K309-E362 IonicContact NZ-OE1 2.71Å; K309-E362 PolarHBondContact NZ-OE1 3.47Å
310	L	96.9	Very high	93.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	160.2	-175.9	-66.1	170.3	0	0	0	110.1	F266 F282 C301 L308 Y345 M358	F266-L310 HydrophobicContact CD1-CD2 4.13Å; F266-L310 HydrophobicContact CE1-CD2 3.61Å; F266-L310 HydrophobicContact CZ-CD2 4.47Å; F282-L310 HydrophobicContact CD1-CD1 4.46Å; F282-L310 HydrophobicContact CE1-CD1 3.84Å; C301-L310 PolarHBondContact N-O 3.46Å; C301-L310 PolarHBondContact O-N 2.92Å; C301-L310 PolarHBondContact SG-O 3.02Å; L308-L310 HydrophobicContact CD2-CD1 4.38Å; L308-L310 HydrophobicContact CD2-CD2 4.04Å; L308-L310 HydrophobicContact CD2-CG 4.31Å; L308-L310 HydrophobicContact CG-CD2 4.1Å; L308-L310 HydrophobicContact CG-CG 4.09Å; L310-Y345 HydrophobicContact CD1-CD1 3.51Å; L310-Y345 HydrophobicContact CD1-CD2 4.29Å; L310-Y345 HydrophobicContact CD1-CE1 3.88Å; L310-Y345 HydrophobicContact CD1-CG 3.76Å; L310-Y345 HydrophobicContact CD2-CD2 4.16Å; L310-Y345 HydrophobicContact CD2-CG 4.09Å; L310-M358 WeakPolarHBondContact CA-O 3.48Å; L310-M358 WeakPolarHBondContact CB-O 3.48Å; L310-M358 WeakPolarHBondContact CD2-O 3.33Å
311	A	95.9	Very high	93.5	Very high	7 Å²	7	63.8 Å²	63.8	6%	0.058	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	139.7	167.2	0	0	0	0	0	110	L290 V298 F357 M358	L290-A311 HydrophobicContact CD1-CB 4.21Å; V298-A311 HydrophobicContact CG1-CB 4.29Å; A311-F357 CarbonylContact O-C 3.58Å; A311-F357 WeakPolarHBondContact O-CA 3.19Å; A311-M358 PolarHBondContact N-O 2.72Å; A311-M358 PolarHBondContact O-N 2.8Å
312	A	95.6	Very high	93.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	110.3	175.8	0	0	0	0	0	110.3	M284 V298 C299 C301 V355 L356 F357	M284-A312 HydrophobicContact SD-CB 4.33Å; V298-A312 VanDerWaalsContact CA-O 3.3Å; V298-A312 WeakPolarHBondContact CA-O 3.22Å; C299-A312 PolarHBondContact N-O 3.3Å; C299-A312 PolarHBondContact O-N 3.45Å; C301-A312 HydrophobicContact CB-CB 4.17Å; A312-V355 HydrophobicContact CB-CG1 3.88Å; A312-L356 CarbonylContact C-O 3.33Å; A312-L356 WeakPolarHBondContact CA-O 3.32Å; A312-F357 HydrophobicContact CB-CD1 4.21Å; A312-F357 HydrophobicContact CB-CE1 4.11Å
313	K	94.3	Very high	92.9	Very high	8 Å²	8	63.3 Å²	63.3	4%	0.035	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	106.7	172.9	175.8	177.6	171.2	-173.9	0	108.4	F295 V298 I315 E329 V355 L356 M358 D425	F295-K313 WeakPolarHBondContact O-CE 3.16Å; V298-K313 HydrophobicContact CG2-CB 4.21Å; V298-K313 HydrophobicContact CG2-CG 4.32Å; K313-I315 HydrophobicContact CD-CD1 4.38Å; K313-I315 HydrophobicContact CG-CD1 4.18Å; K313-I315 HydrophobicContact CG-CG1 4.07Å; K313-E329 IonicContact NZ-OE1 3.97Å; K313-E329 PolarHBondContact NZ-OE1 2.82Å; K313-E329 IonicContact NZ-OE2 2.85Å; K313-E329 PolarHBondContact NZ-OE2 2.73Å; K313-V355 WeakPolarHBondContact O-CA 3.25Å; K313-L356 HydrophobicContact CB-CB 4.35Å; K313-L356 PolarHBondContact N-O 2.95Å; K313-L356 PolarHBondContact O-N 2.63Å; K313-M358 HydrophobicContact CB-CE 3.71Å; K313-M358 HydrophobicContact CD-CE 4.16Å; K313-D425 IonicContact NZ-OD1 3.4Å; K313-D425 PolarHBondContact NZ-OD1 3Å
314	V	93.3	Very high	92.7	Very high	23 Å²	23	67.3 Å²	67.3	14%	0.139	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	115.6	-175.5	-177.4	0	0	0	0	109.9	M284 G296 A297 E353 V355	M284-V314 HydrophobicContact SD-CG2 4.39Å; G296-V314 WeakPolarHBondContact CA-O 3.14Å; A297-V314 PolarHBondContact N-O 3.12Å; A297-V314 PolarHBondContact O-N 3.11Å; V314-E353 HydrophobicContact CG1-CB 4.3Å; V314-E353 WeakPolarHBondContact CG1-OE2 3.37Å; V314-V355 HydrophobicContact CG1-CG2 4.29Å; V314-V355 HydrophobicContact CG2-CG1 4.12Å; V314-V355 HydrophobicContact CG2-CG2 4.09Å
315	I	92.1	Very high	92.4	Very high	20 Å²	20	65 Å²	65	10%	0.103	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.7	-170.4	-48.6	179.1	0	0	0	108.9	K313 V326 E353 I354 L356	K313-I315 HydrophobicContact CD-CD1 4.38Å; K313-I315 HydrophobicContact CG-CD1 4.18Å; K313-I315 HydrophobicContact CG-CG1 4.07Å; I315-V326 HydrophobicContact CB-CG2 4.41Å; I315-V326 HydrophobicContact CD1-CG1 4.39Å; I315-V326 HydrophobicContact CD1-CG2 3.49Å; I315-V326 VanDerWaalsContact CD1-CG2 3.49Å; I315-V326 HydrophobicContact CG2-CG2 3.97Å; I315-E353 CarbonylContact O-C 3.54Å; I315-E353 VanDerWaalsContact O-CA 3.25Å; I315-E353 WeakPolarHBondContact O-CA 3.17Å; I315-I354 PolarHBondContact N-O 2.98Å; I315-I354 PolarHBondContact O-N 3.44Å; I315-L356 HydrophobicContact CD1-CD1 4.04Å; I315-L356 HydrophobicContact CD1-CG 4.25Å
316	K	91.1	Very high	92.3	Very high	131 Å²	131	60.8 Å²	60.8	57%	0.57	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.6	-177.4	-63.8	-170.7	173.7	-172.8	0	111.2	Q318 E353	K316-Q318 HydrophobicContact CB-CG 4.46Å; K316-Q318 PolarHBondContact O-N 3.14Å; K316-E353 VanDerWaalsContact CE-OE1 3.22Å; K316-E353 WeakPolarHBondContact CE-OE1 3.28Å; K316-E353 HydrophobicContact CG-CG 4.24Å
317	K	89.9	Confident	92.3	Very high	55 Å²	55	59.8 Å²	59.8	24%	0.239	31%	0.306	C	S	.	.			trans	-84.2	92.1	172.3	-65.9	-174	-73.2	166.1	0	109.7	E349 T350 P351 H352 I354	K317-E349 HydrophobicContact CD-CG 4.48Å; K317-E349 IonicContact NZ-OE1 2.71Å; K317-E349 PolarHBondContact NZ-OE1 2.88Å; K317-T350 WeakPolarHBondContact CE-O 3.47Å; K317-T350 PolarHBondContact NZ-O 3.23Å; K317-P351 WeakPolarHBondContact CE-O 3.43Å; K317-P351 PolarHBondContact NZ-O 3.02Å; K317-H352 WeakPolarHBondContact CB-O 3.37Å; K317-H352 PolarHBondContact N-O 3.41Å; K317-I354 HydrophobicContact CD-CD1 4.02Å; K317-I354 HydrophobicContact CD-CG1 3.91Å; K317-I354 HydrophobicContact CG-CD1 4.1Å; K317-I354 HydrophobicContact CG-CG1 4.04Å
318	Q	86.9	Confident	92.2	Very high	168 Å²	168	62 Å²	62	79%	0.785	31%	0.307	S	S	*	.	S	Bend	trans	-90.4	-33	171.6	-58.4	177.6	60.3	0	0	110.9	K316 D322	K316-Q318 HydrophobicContact CB-CG 4.46Å; K316-Q318 PolarHBondContact O-N 3.14Å; Q318-D322 WeakPolarHBondContact CA-OD2 3.47Å; Q318-D322 WeakPolarHBondContact CB-OD2 3.35Å; Q318-D322 PolarHBondContact N-OD2 3.46Å
319	T	87.3	Confident	92.1	Very high	64 Å²	64	60.6 Å²	60.6	39%	0.393	30%	0.299	S	S	.	.	S	Bend	trans	-135.9	160.1	179.8	84.1	0	0	0	0	111.7	K321 D322	T319-K321 PolarHBondContact O-N 3.3Å; T319-K321 PolarHBondContact OG1-N 2.99Å; T319-D322 PolarHBondContact N-OD2 2.84Å; T319-D322 WeakPolarHBondContact O-CB 3.34Å; T319-D322 PolarHBondContact O-N 3.29Å; T319-D322 PolarHBondContact OG1-N 3.01Å; T319-D322 PolarHBondContact OG1-OD1 2.99Å
320	P	87	Confident	92.2	Very high	104 Å²	104	57.4 Å²	57.4	68%	0.675	29%	0.286	S	S	*	.	H	α-helix	trans	-57.4	-33.2	171.3	-25.6	35.6	0	0	0	113.4	D322 K323 E324	P320-D322 PolarHBondContact O-N 3.24Å; P320-K323 WeakPolarHBondContact O-CB 3.45Å; P320-K323 PolarHBondContact O-N 2.86Å; P320-K323 VanDerWaalsContact O-N 3.11Å; P320-E324 PolarHBondContact O-N 2.93Å
321	K	87.7	Confident	92.1	Very high	142 Å²	142	61.1 Å²	61.1	62%	0.617	30%	0.303	S	S	*	.	H	α-helix	trans	-64	-27	179.7	-59.7	-172.5	175.7	-175.2	0	113	T319 K323 E324 M325	T319-K321 PolarHBondContact O-N 3.3Å; T319-K321 PolarHBondContact OG1-N 2.99Å; K321-K323 VanDerWaalsContact C-N 3.27Å; K321-K323 PolarHBondContact O-N 2.66Å; K321-E324 PolarHBondContact O-N 2.95Å; K321-M325 WeakPolarHBondContact O-CG 3.48Å; K321-M325 PolarHBondContact O-N 3.49Å
322	D	87.9	Confident	92.2	Very high	41 Å²	41	61 Å²	61	22%	0.219	30%	0.302	C	S	.	.	H	α-helix	trans	-64.6	-37.7	177.4	-48.7	-12.2	0	0	0	110	Q318 T319 P320 V326	Q318-D322 WeakPolarHBondContact CA-OD2 3.47Å; Q318-D322 WeakPolarHBondContact CB-OD2 3.35Å; Q318-D322 PolarHBondContact N-OD2 3.46Å; T319-D322 PolarHBondContact N-OD2 2.84Å; T319-D322 WeakPolarHBondContact O-CB 3.34Å; T319-D322 PolarHBondContact O-N 3.29Å; T319-D322 PolarHBondContact OG1-N 3.01Å; T319-D322 PolarHBondContact OG1-OD1 2.99Å; P320-D322 PolarHBondContact O-N 3.24Å; D322-V326 VanDerWaalsContact O-CG2 3.28Å; D322-V326 WeakPolarHBondContact O-CG2 3.4Å; D322-V326 PolarHBondContact O-N 2.96Å; D322-V326 VanDerWaalsContact O-N 3.15Å
323	K	92.4	Very high	92.2	Very high	71 Å²	71	61.2 Å²	61.2	31%	0.309	30%	0.303	S	S	.	.	H	α-helix	trans	-70.7	-39.8	174.1	177.2	170.8	175.6	167.9	0	111.9	L273 P320 K321 V326 L327 E349 I354	L273-K323 HydrophobicContact CD2-CG 4.34Å; P320-K323 WeakPolarHBondContact O-CB 3.45Å; P320-K323 PolarHBondContact O-N 2.86Å; P320-K323 VanDerWaalsContact O-N 3.11Å; K321-K323 VanDerWaalsContact C-N 3.27Å; K321-K323 PolarHBondContact O-N 2.66Å; K323-V326 PolarHBondContact O-N 2.86Å; K323-L327 HydrophobicContact CG-CD1 4.07Å; K323-L327 HydrophobicContact CG-CG 4.44Å; K323-L327 WeakPolarHBondContact O-CG 3.25Å; K323-L327 PolarHBondContact O-N 3.11Å; K323-E349 WeakPolarHBondContact CE-OE2 3.44Å; K323-E349 IonicContact NZ-OE1 3.77Å; K323-E349 PolarHBondContact NZ-OE1 2.91Å; K323-E349 IonicContact NZ-OE2 3.14Å; K323-E349 PolarHBondContact NZ-OE2 3.42Å; K323-I354 HydrophobicContact CB-CD1 4.05Å; K323-I354 HydrophobicContact CG-CD1 4.05Å
324	E	92.4	Very high	92.4	Very high	110 Å²	110	62 Å²	62	51%	0.514	31%	0.307	S	S	.	.	H	α-helix	trans	-59.4	-47	175.2	-64.9	165.6	-178.6	0	0	111.2	P320 K321 V326 L327 L328	P320-E324 PolarHBondContact O-N 2.93Å; K321-E324 PolarHBondContact O-N 2.95Å; E324-V326 PolarHBondContact O-N 2.9Å; E324-L327 PolarHBondContact O-N 3.35Å; E324-L328 WeakPolarHBondContact O-CG 3.25Å; E324-L328 PolarHBondContact O-N 2.98Å; E324-L328 VanDerWaalsContact O-N 3.08Å
325	M	90.2	Very high	92.5	Very high	76 Å²	76	63 Å²	63	37%	0.374	31%	0.31	S	S	.	.	H	α-helix	trans	-60.5	-41.7	175.8	-72.5	-60.4	-49.7	0	0	112.7	K321 L328 E329 G427	K321-M325 WeakPolarHBondContact O-CG 3.48Å; K321-M325 PolarHBondContact O-N 3.49Å; M325-L328 PolarHBondContact O-N 3.45Å; M325-E329 PolarHBondContact O-N 3.15Å; M325-G427 WeakPolarHBondContact CE-O 3.3Å
326	V	93.6	Very high	92.7	Very high	5 Å²	5	62 Å²	62	3%	0.03	31%	0.306	C	S	.	.	H	α-helix	trans	-70.8	-33	178.5	174	0	0	0	0	112.3	I315 D322 K323 E324 L328 E329 I330 I354 L356	I315-V326 HydrophobicContact CB-CG2 4.41Å; I315-V326 HydrophobicContact CD1-CG1 4.39Å; I315-V326 HydrophobicContact CD1-CG2 3.49Å; I315-V326 VanDerWaalsContact CD1-CG2 3.49Å; I315-V326 HydrophobicContact CG2-CG2 3.97Å; D322-V326 VanDerWaalsContact O-CG2 3.28Å; D322-V326 WeakPolarHBondContact O-CG2 3.4Å; D322-V326 PolarHBondContact O-N 2.96Å; D322-V326 VanDerWaalsContact O-N 3.15Å; K323-V326 PolarHBondContact O-N 2.86Å; E324-V326 PolarHBondContact O-N 2.9Å; V326-L328 VanDerWaalsContact C-N 3.34Å; V326-E329 PolarHBondContact O-N 3.32Å; V326-I330 HydrophobicContact CG1-CD1 4.02Å; V326-I330 HydrophobicContact CG1-CG1 4.47Å; V326-I330 VanDerWaalsContact O-CG1 3.25Å; V326-I330 WeakPolarHBondContact O-CG1 3.29Å; V326-I330 PolarHBondContact O-N 2.84Å; V326-I354 HydrophobicContact CB-CD1 4.22Å; V326-I354 HydrophobicContact CG1-CB 4.47Å; V326-I354 HydrophobicContact CG1-CD1 4.21Å; V326-I354 HydrophobicContact CG1-CG2 3.77Å; V326-L356 HydrophobicContact CG1-CD1 4.31Å; V326-L356 HydrophobicContact CG1-CD2 3.9Å; V326-L356 HydrophobicContact CG1-CG 4.36Å
327	L	95.3	Very high	93	Very high	76 Å²	76	60.4 Å²	60.4	40%	0.398	30%	0.303	S	S	.	.	H	α-helix	trans	-65.6	-37.2	172.3	-73.9	168.6	0	0	0	111.9	L273 K323 E324 I330 E331	L273-L327 HydrophobicContact CB-CD2 3.85Å; L273-L327 HydrophobicContact CD2-CD2 3.81Å; L273-L327 HydrophobicContact CD2-CG 4.25Å; L273-L327 HydrophobicContact CG-CD2 4.5Å; K323-L327 HydrophobicContact CG-CD1 4.07Å; K323-L327 HydrophobicContact CG-CG 4.44Å; K323-L327 WeakPolarHBondContact O-CG 3.25Å; K323-L327 PolarHBondContact O-N 3.11Å; E324-L327 PolarHBondContact O-N 3.35Å; L327-I330 PolarHBondContact O-N 3.01Å; L327-E331 PolarHBondContact O-N 2.75Å
328	L	93.3	Very high	93.3	Very high	90 Å²	90	60 Å²	60	47%	0.471	30%	0.302	S	S	.	.	H	α-helix	trans	-66.6	-40.9	172.2	-67.9	170	0	0	0	112.2	E324 M325 V326 E331 V332	E324-L328 WeakPolarHBondContact O-CG 3.25Å; E324-L328 PolarHBondContact O-N 2.98Å; E324-L328 VanDerWaalsContact O-N 3.08Å; M325-L328 PolarHBondContact O-N 3.45Å; V326-L328 VanDerWaalsContact C-N 3.34Å; L328-E331 PolarHBondContact O-N 3.07Å; L328-V332 WeakPolarHBondContact O-CG2 3.42Å; L328-V332 PolarHBondContact O-N 3.43Å
329	E	95.1	Very high	93.7	Very high	9 Å²	9	56.9 Å²	56.9	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-60	-46	174.2	-173.6	174.7	174.1	0	0	111.1	K313 M325 V326 V332 M333 L356 F426 G427	K313-E329 IonicContact NZ-OE1 3.97Å; K313-E329 PolarHBondContact NZ-OE1 2.82Å; K313-E329 IonicContact NZ-OE2 2.85Å; K313-E329 PolarHBondContact NZ-OE2 2.73Å; M325-E329 PolarHBondContact O-N 3.15Å; V326-E329 PolarHBondContact O-N 3.32Å; E329-V332 PolarHBondContact O-N 3.11Å; E329-M333 HydrophobicContact CG-SD 4.32Å; E329-M333 WeakPolarHBondContact O-CG 3.37Å; E329-M333 PolarHBondContact O-N 3.26Å; E329-L356 HydrophobicContact CG-CD1 4.41Å; E329-F426 HydrophobicContact CG-CB 4.17Å; E329-G427 WeakPolarHBondContact OE2-CA 3.19Å
330	I	97.3	Very high	94.2	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-46	175.2	-67.1	163.9	0	0	0	111.3	V271 L273 V326 L327 V332 M333 N334 L344 A347 L356	V271-I330 WeakPolarHBondContact O-CG2 3.34Å; L273-I330 HydrophobicContact CB-CD1 4.04Å; L273-I330 HydrophobicContact CD1-CD1 4.33Å; V326-I330 HydrophobicContact CG1-CD1 4.02Å; V326-I330 HydrophobicContact CG1-CG1 4.47Å; V326-I330 VanDerWaalsContact O-CG1 3.25Å; V326-I330 WeakPolarHBondContact O-CG1 3.29Å; V326-I330 PolarHBondContact O-N 2.84Å; L327-I330 PolarHBondContact O-N 3.01Å; I330-V332 VanDerWaalsContact C-N 3.32Å; I330-V332 PolarHBondContact O-N 3.02Å; I330-M333 PolarHBondContact O-N 3.27Å; I330-N334 WeakPolarHBondContact O-CB 3.49Å; I330-N334 PolarHBondContact O-N 2.74Å; I330-N334 PolarHBondContact O-ND2 3.28Å; I330-L344 HydrophobicContact CB-CD2 4.34Å; I330-L344 HydrophobicContact CG1-CD2 4.12Å; I330-L344 HydrophobicContact CG2-CD2 4.11Å; I330-A347 HydrophobicContact CD1-CB 3.63Å; I330-A347 HydrophobicContact CG1-CB 4.3Å; I330-L356 HydrophobicContact CD1-CD2 3.82Å; I330-L356 HydrophobicContact CG1-CD2 3.79Å
331	E	96.6	Very high	94.7	Very high	77 Å²	77	49.1 Å²	49.1	36%	0.36	23%	0.233	S	C	.	.	H	α-helix	trans	-60.6	-42.7	178.6	-168.2	-172.3	-167.7	0	0	111.4	L327 L328 Q335 R431	L327-E331 PolarHBondContact O-N 2.75Å; L328-E331 PolarHBondContact O-N 3.07Å; E331-Q335 PolarHBondContact O-NE2 3.03Å; E331-R431 IonicContact OE1-CZ 3.15Å; E331-R431 IonicContact OE1-NH1 3.4Å; E331-R431 PolarHBondContact OE1-NH1 2.91Å; E331-R431 IonicContact OE1-NH2 2.75Å; E331-R431 PolarHBondContact OE1-NH2 2.87Å; E331-R431 IonicContact OE2-NH1 2.71Å; E331-R431 PolarHBondContact OE2-NH1 3.16Å
332	V	96.2	Very high	95.2	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-51.5	175.1	167.7	0	0	0	0	110.8	L328 E329 I330 N334 Q335 L336 V401 F426 A429	L328-V332 WeakPolarHBondContact O-CG2 3.42Å; L328-V332 PolarHBondContact O-N 3.43Å; E329-V332 PolarHBondContact O-N 3.11Å; I330-V332 VanDerWaalsContact C-N 3.32Å; I330-V332 PolarHBondContact O-N 3.02Å; V332-N334 VanDerWaalsContact C-N 3.3Å; V332-N334 PolarHBondContact O-N 3.43Å; V332-Q335 PolarHBondContact O-N 2.84Å; V332-L336 HydrophobicContact CG1-CD1 3.67Å; V332-L336 HydrophobicContact CG1-CG 4.44Å; V332-L336 WeakPolarHBondContact O-CG 3.47Å; V332-V401 HydrophobicContact CG1-CG1 3.69Å; V332-V401 HydrophobicContact CG1-CG2 4.45Å; V332-F426 HydrophobicContact CG1-CB 4.4Å; V332-A429 HydrophobicContact CG1-CB 4.16Å
333	M	97.5	Very high	95.6	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-36.1	-178.6	-69.8	-174	87.1	0	0	113.1	E329 I330 Q335 L336 I342 L344 M358 F426	E329-M333 HydrophobicContact CG-SD 4.32Å; E329-M333 WeakPolarHBondContact O-CG 3.37Å; E329-M333 PolarHBondContact O-N 3.26Å; I330-M333 PolarHBondContact O-N 3.27Å; M333-Q335 PolarHBondContact O-N 2.82Å; M333-Q335 VanDerWaalsContact O-N 3.09Å; M333-L336 PolarHBondContact O-N 2.9Å; M333-I342 HydrophobicContact CE-CG2 3.82Å; M333-L344 HydrophobicContact CB-CB 4.03Å; M333-L344 HydrophobicContact CB-CD2 4.02Å; M333-L344 HydrophobicContact CE-CB 3.85Å; M333-L344 HydrophobicContact CE-CD1 4.36Å; M333-L344 HydrophobicContact SD-CB 4.07Å; M333-L344 HydrophobicContact SD-CD1 4.03Å; M333-L344 HydrophobicContact SD-CD2 4.2Å; M333-L344 HydrophobicContact SD-CG 4.33Å; M333-M358 HydrophobicContact CE-CG 4.39Å; M333-M358 HydrophobicContact CE-SD 3.99Å; M333-M358 HydrophobicContact SD-SD 4.47Å; M333-F426 HydrophobicContact CE-CD2 3.94Å; M333-F426 HydrophobicContact CE-CE2 4.21Å; M333-F426 HydrophobicContact CG-CB 4.3Å; M333-F426 HydrophobicContact CG-CD2 3.58Å; M333-F426 HydrophobicContact CG-CE2 4.3Å; M333-F426 HydrophobicContact CG-CG 4.26Å; M333-F426 HydrophobicContact SD-CD2 4.1Å
334	N	97.4	Very high	95.9	Very high	23 Å²	23	38.2 Å²	38.2	12%	0.123	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.8	174.7	-74.3	-15.6	0	0	0	114.2	H268 R269 M270 V271 I330 V332	H268-N334 PolarHBondContact NE2-O 3.49Å; R269-N334 PolarHBondContact O-OD1 3.4Å; M270-N334 HydrophobicContact CE-CB 3.92Å; M270-N334 HydrophobicContact SD-CB 4.36Å; V271-N334 PolarHBondContact N-ND2 3.19Å; V271-N334 PolarHBondContact N-OD1 2.8Å; V271-N334 PolarHBondContact O-ND2 3.24Å; I330-N334 WeakPolarHBondContact O-CB 3.49Å; I330-N334 PolarHBondContact O-N 2.74Å; I330-N334 PolarHBondContact O-ND2 3.28Å; V332-N334 VanDerWaalsContact C-N 3.3Å; V332-N334 PolarHBondContact O-N 3.43Å
335	Q	96.1	Very high	96.2	Very high	44 Å²	44	33.8 Å²	33.8	21%	0.206	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-9.1	175.3	-66.6	162.5	102.1	0	0	112.6	E331 V332 M333 M399 R431	E331-Q335 PolarHBondContact O-NE2 3.03Å; V332-Q335 PolarHBondContact O-N 2.84Å; M333-Q335 PolarHBondContact O-N 2.82Å; M333-Q335 VanDerWaalsContact O-N 3.09Å; Q335-M399 HydrophobicContact CB-CE 4.36Å; Q335-R431 VanDerWaalsContact CD-NH2 3.29Å; Q335-R431 VanDerWaalsContact OE1-CZ 3.28Å
336	L	96.4	Very high	96.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.15	C	C	.	.			trans	-107.4	63.4	-165.5	-67.2	-178.5	0	0	0	113.7	V332 M333 H338 L341 Q343 F395 M396 M399 V401 F426	V332-L336 HydrophobicContact CG1-CD1 3.67Å; V332-L336 HydrophobicContact CG1-CG 4.44Å; V332-L336 WeakPolarHBondContact O-CG 3.47Å; M333-L336 PolarHBondContact O-N 2.9Å; L336-H338 PolarHBondContact O-N 2.86Å; L336-L341 HydrophobicContact CB-CD1 3.96Å; L336-L341 HydrophobicContact CD1-CD1 4.32Å; L336-L341 HydrophobicContact CD2-CD1 4.03Å; L336-L341 HydrophobicContact CG-CD1 4.32Å; L336-Q343 PolarHBondContact O-NE2 2.82Å; L336-F395 HydrophobicContact CD2-CD1 4.06Å; L336-F395 HydrophobicContact CD2-CE1 4.03Å; L336-M396 HydrophobicContact CD1-CE 4.21Å; L336-M396 HydrophobicContact CD1-CG 4.23Å; L336-M396 HydrophobicContact CD2-CB 4.45Å; L336-M396 HydrophobicContact CD2-CG 3.9Å; L336-M399 HydrophobicContact CD2-CB 4.36Å; L336-V401 HydrophobicContact CD1-CG1 4.44Å; L336-V401 HydrophobicContact CD2-CG2 4.38Å; L336-F426 HydrophobicContact CD1-CD1 4.06Å; L336-F426 HydrophobicContact CD1-CE1 3.72Å; L336-F426 HydrophobicContact CD1-CE2 4.37Å; L336-F426 HydrophobicContact CD1-CZ 3.89Å
337	N	96.2	Very high	96.8	Very high	97 Å²	97	30.4 Å²	30.4	52%	0.519	15%	0.148	S	C	.	.			trans	-83	86.4	172.2	-173.3	7.2	0	0	0	111.7	H268 F395	H268-N337 HydrophobicContact CB-CB 4.26Å; N337-F395 WeakPolarHBondContact O-CZ 3.47Å
338	H	97	Very high	96.9	Very high	45 Å²	45	26.9 Å²	26.9	21%	0.208	13%	0.129	C	C	.	.			trans	-144.8	152.7	178.2	-170	-108.5	0	0	0	111.9	L336 N340 L341 Q343 F395	L336-H338 PolarHBondContact O-N 2.86Å; H338-N340 PolarHBondContact CE1-OD1 3.43Å; H338-N340 PolarHBondContact ND1-N 3.29Å; H338-L341 HydrophobicContact CB-CB 4.28Å; H338-L341 HydrophobicContact CB-CD1 3.76Å; H338-L341 HydrophobicContact CB-CG 3.9Å; H338-L341 PolarHBondContact O-N 3.39Å; H338-L341 VanDerWaalsContact O-O 3.11Å; H338-Q343 PolarHBondContact O-NE2 3.04Å; H338-F395 HydrophobicContact CB-CB 4.27Å; H338-F395 HydrophobicContact CB-CD1 3.79Å; H338-F395 HydrophobicContact CB-CD2 4.03Å; H338-F395 HydrophobicContact CB-CE1 4.15Å; H338-F395 HydrophobicContact CB-CE2 4.35Å; H338-F395 HydrophobicContact CB-CG 3.73Å; H338-F395 HydrophobicContact CB-CZ 4.41Å; H338-F395 AromaticContact CD2-CD2 3.6Å; H338-F395 AromaticContact CD2-CG 3.84Å; H338-F395 AromaticContact CG-CD2 3.97Å; H338-F395 AromaticContact CG-CG 3.77Å
339	R	95.8	Very high	97	Very high	104 Å²	104	23.5 Å²	23.5	39%	0.392	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-41.2	-174.4	-65.1	-55.2	-172.8	79.1	-0.5	113.2	P260 P261 L341 K422	P260-R339 HydrophobicContact CB-CB 4.39Å; P260-R339 HydrophobicContact CB-CG 4.43Å; P261-R339 HydrophobicContact CG-CB 4.03Å; P261-R339 WeakPolarHBondContact O-CB 3.44Å; P261-R339 WeakPolarHBondContact O-CD 3.46Å; P261-R339 WeakPolarHBondContact O-CG 3.49Å; P261-R339 PolarHBondContact O-NH1 3.35Å; R339-L341 PolarHBondContact O-N 3.47Å; R339-K422 WeakPolarHBondContact O-CD 3.34Å; R339-K422 WeakPolarHBondContact O-CE 3.24Å; R339-K422 PolarHBondContact O-NZ 3.25Å
340	N	97.2	Very high	97	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.027	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	12.3	179	-55.9	87.1	0	0	0	113.7	P261 H338 Q388 V421 K422 I423	P261-N340 VanDerWaalsContact CD-ND2 3.27Å; P261-N340 WeakPolarHBondContact CD-ND2 3.12Å; P261-N340 WeakPolarHBondContact CG-ND2 3.39Å; H338-N340 PolarHBondContact CE1-OD1 3.43Å; H338-N340 PolarHBondContact ND1-N 3.29Å; N340-Q388 WeakPolarHBondContact ND2-CB 3.39Å; N340-Q388 PolarHBondContact ND2-OE1 3.31Å; N340-V421 PolarHBondContact ND2-O 3.43Å; N340-K422 CarbonylContact O-C 3.59Å; N340-K422 VanDerWaalsContact O-CA 3.3Å; N340-K422 WeakPolarHBondContact O-CA 3.36Å; N340-I423 PolarHBondContact O-N 3.02Å
341	L	97.8	Very high	96.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-124	131.6	179	-56.9	-178.3	0	0	0	109.6	L336 H338 R339 Q343 F395 M396 I423 F426	L336-L341 HydrophobicContact CB-CD1 3.96Å; L336-L341 HydrophobicContact CD1-CD1 4.32Å; L336-L341 HydrophobicContact CD2-CD1 4.03Å; L336-L341 HydrophobicContact CG-CD1 4.32Å; H338-L341 HydrophobicContact CB-CB 4.28Å; H338-L341 HydrophobicContact CB-CD1 3.76Å; H338-L341 HydrophobicContact CB-CG 3.9Å; H338-L341 PolarHBondContact O-N 3.39Å; H338-L341 VanDerWaalsContact O-O 3.11Å; R339-L341 PolarHBondContact O-N 3.47Å; L341-Q343 PolarHBondContact O-NE2 3.42Å; L341-F395 HydrophobicContact CD1-CD1 3.94Å; L341-M396 HydrophobicContact CD1-CG 3.76Å; L341-M396 HydrophobicContact CD1-SD 4.48Å; L341-M396 HydrophobicContact CD2-CG 4.2Å; L341-M396 HydrophobicContact CD2-SD 3.97Å; L341-I423 HydrophobicContact CD2-CB 3.94Å; L341-I423 HydrophobicContact CD2-CD1 3.95Å; L341-I423 HydrophobicContact CD2-CG1 4.29Å; L341-F426 HydrophobicContact CB-CZ 4.14Å; L341-F426 HydrophobicContact CD2-CZ 4.14Å
342	I	96.9	Very high	96.5	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.051	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-60.5	138.5	178.8	-162.6	174.6	0	0	0	111.3	M333 M358 E359 I361 I423 I424 F426	M333-I342 HydrophobicContact CE-CG2 3.82Å; I342-M358 HydrophobicContact CD1-CB 4.11Å; I342-M358 HydrophobicContact CD1-CE 4.42Å; I342-M358 HydrophobicContact CD1-SD 4.47Å; I342-M358 HydrophobicContact CG1-CB 4.48Å; I342-E359 HydrophobicContact CG1-CB 3.91Å; I342-I361 HydrophobicContact CB-CD1 4.48Å; I342-I361 HydrophobicContact CD1-CD1 4.06Å; I342-I361 HydrophobicContact CG1-CD1 4.05Å; I342-I423 PolarHBondContact N-O 2.97Å; I342-I424 HydrophobicContact CB-CB 4.45Å; I342-I424 HydrophobicContact CB-CG2 4.27Å; I342-I424 HydrophobicContact CD1-CB 4.22Å; I342-I424 HydrophobicContact CD1-CG2 4.25Å; I342-I424 HydrophobicContact CG2-CB 4.39Å; I342-F426 HydrophobicContact CG2-CD2 4.31Å; I342-F426 HydrophobicContact CG2-CE2 3.76Å
343	Q	97.8	Very high	96.5	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.047	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-97.5	141	-178.9	-60.4	-58.9	-64.9	0	0	112.9	A264 F266 H268 L336 H338 L341 M358 E359	A264-Q343 HydrophobicContact CB-CB 3.74Å; A264-Q343 HydrophobicContact CB-CG 3.7Å; F266-Q343 HydrophobicContact CE2-CB 3.73Å; F266-Q343 HydrophobicContact CZ-CB 3.96Å; H268-Q343 PolarHBondContact ND1-OE1 2.9Å; L336-Q343 PolarHBondContact O-NE2 2.82Å; H338-Q343 PolarHBondContact O-NE2 3.04Å; L341-Q343 PolarHBondContact O-NE2 3.42Å; Q343-M358 WeakPolarHBondContact O-CA 3.4Å; Q343-E359 PolarHBondContact N-OE2 3.22Å; Q343-E359 PolarHBondContact O-N 2.98Å
344	L	98.1	Very high	96.4	Very high	5 Å²	5	35 Å²	35	3%	0.026	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	135.3	175	-169.9	63.4	0	0	0	110.4	V271 I330 M333 L356 F357 M358	V271-L344 HydrophobicContact CB-CD2 3.75Å; V271-L344 HydrophobicContact CB-CG 4.13Å; V271-L344 HydrophobicContact CG1-CD2 3.85Å; V271-L344 HydrophobicContact CG1-CG 4.16Å; V271-L344 HydrophobicContact CG2-CB 4.41Å; V271-L344 HydrophobicContact CG2-CD2 4.14Å; V271-L344 HydrophobicContact CG2-CG 3.97Å; I330-L344 HydrophobicContact CB-CD2 4.34Å; I330-L344 HydrophobicContact CG1-CD2 4.12Å; I330-L344 HydrophobicContact CG2-CD2 4.11Å; M333-L344 HydrophobicContact CB-CB 4.03Å; M333-L344 HydrophobicContact CB-CD2 4.02Å; M333-L344 HydrophobicContact CE-CB 3.85Å; M333-L344 HydrophobicContact CE-CD1 4.36Å; M333-L344 HydrophobicContact SD-CB 4.07Å; M333-L344 HydrophobicContact SD-CD1 4.03Å; M333-L344 HydrophobicContact SD-CD2 4.2Å; M333-L344 HydrophobicContact SD-CG 4.33Å; L344-L356 HydrophobicContact CD1-CB 4.1Å; L344-F357 WeakPolarHBondContact CD1-O 3.48Å; L344-M358 HydrophobicContact CD1-CG 3.84Å
345	Y	98.1	Very high	96.3	Very high	17 Å²	17	34 Å²	34	7%	0.067	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-48.2	-178.3	-172.7	-95.2	0	0	0	112.5	F266 R269 F282 E303 L308 L310 F357	F266-Y345 HydrophobicContact CB-CD2 4.05Å; F266-Y345 HydrophobicContact CB-CE2 3.95Å; F266-Y345 AromaticContact CD1-CD2 3.63Å; F266-Y345 HydrophobicContact CD1-CD2 3.63Å; F266-Y345 HydrophobicContact CD1-CE2 4.17Å; F266-Y345 AromaticContact CD2-CD2 3.74Å; F266-Y345 HydrophobicContact CD2-CD2 3.74Å; F266-Y345 HydrophobicContact CD2-CE2 4.45Å; F266-Y345 AromaticContact CE1-CD2 3.88Å; F266-Y345 HydrophobicContact CE1-CD2 3.88Å; F266-Y345 AromaticContact CE2-CD2 3.99Å; F266-Y345 HydrophobicContact CE2-CD2 3.99Å; F266-Y345 AromaticContact CG-CD2 3.54Å; F266-Y345 HydrophobicContact CG-CD2 3.54Å; F266-Y345 AromaticContact CG-CE2 3.97Å; F266-Y345 HydrophobicContact CG-CE2 3.97Å; F266-Y345 HydrophobicContact CZ-CD2 4.05Å; F266-Y345 HydrophobicContact CZ-CG 4.5Å; R269-Y345 WeakPolarHBondContact CD-O 3.23Å; R269-Y345 PolarHBondContact NE-O 2.86Å; R269-Y345 PolarHBondContact NH1-OH 2.92Å; R269-Y345 VanDerWaalsContact NH1-OH 3.11Å; F282-Y345 HydrophobicContact CE1-CD1 4.21Å; F282-Y345 HydrophobicContact CE1-CE1 4.09Å; F282-Y345 HydrophobicContact CZ-CD1 4.15Å; F282-Y345 HydrophobicContact CZ-CE1 4.05Å; E303-Y345 WeakPolarHBondContact OE1-CE1 3.38Å; E303-Y345 VanDerWaalsContact OE1-CZ 3.29Å; E303-Y345 PolarHBondContact OE1-OH 2.83Å; E303-Y345 PolarHBondContact OE2-OH 2.68Å; L308-Y345 HydrophobicContact CD2-CD2 4.16Å; L308-Y345 HydrophobicContact CD2-CE2 3.54Å; L310-Y345 HydrophobicContact CD1-CD1 3.51Å; L310-Y345 HydrophobicContact CD1-CD2 4.29Å; L310-Y345 HydrophobicContact CD1-CE1 3.88Å; L310-Y345 HydrophobicContact CD1-CG 3.76Å; L310-Y345 HydrophobicContact CD2-CD2 4.16Å; L310-Y345 HydrophobicContact CD2-CG 4.09Å; Y345-F357 WeakPolarHBondContact CA-O 3.16Å; Y345-F357 VanDerWaalsContact CB-O 3.29Å; Y345-F357 WeakPolarHBondContact CB-O 3.45Å; Y345-F357 HydrophobicContact CD1-CB 4.46Å; Y345-F357 PolarHBondContact N-O 3.35Å
346	A	97.9	Very high	96.4	Very high	10 Å²	10	31.9 Å²	31.9	8%	0.083	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	161.7	-179.7	0	0	0	0	0	111.1	F282 F357	F282-A346 HydrophobicContact CZ-CB 4.23Å; A346-F357 HydrophobicContact CB-CB 4.24Å; A346-F357 HydrophobicContact CB-CD2 4.07Å; A346-F357 PolarHBondContact N-O 2.91Å; A346-F357 PolarHBondContact O-N 3.14Å
347	A	98.1	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.1	171.4	0	0	0	0	0	110.2	V271 L273 R274 I330 V355 L356	V271-A347 HydrophobicContact CG1-CB 3.76Å; L273-A347 HydrophobicContact CD1-CB 3.9Å; R274-A347 PolarHBondContact N-O 3.32Å; R274-A347 VanDerWaalsContact N-O 3.16Å; I330-A347 HydrophobicContact CD1-CB 3.63Å; I330-A347 HydrophobicContact CG1-CB 4.3Å; A347-V355 WeakPolarHBondContact CA-O 3.24Å; A347-L356 HydrophobicContact CB-CD2 3.69Å
348	I	97.8	Very high	96.4	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.3	179	-62.1	-179.8	0	0	0	110.6	R274 V278 F282 I354 V355 F357	R274-I348 CarbonylContact O-C 3.35Å; R274-I348 VanDerWaalsContact O-CA 3.3Å; R274-I348 WeakPolarHBondContact O-CA 3.38Å; V278-I348 HydrophobicContact CG2-CB 4.05Å; V278-I348 HydrophobicContact CG2-CD1 4.46Å; V278-I348 HydrophobicContact CG2-CG2 3.78Å; F282-I348 HydrophobicContact CD2-CD1 3.98Å; F282-I348 HydrophobicContact CE2-CD1 3.84Å; I348-I354 WeakPolarHBondContact O-CA 3.47Å; I348-V355 PolarHBondContact N-O 3.42Å; I348-V355 PolarHBondContact O-N 2.84Å; I348-F357 HydrophobicContact CB-CE2 4.12Å; I348-F357 HydrophobicContact CD1-CE2 3.9Å; I348-F357 HydrophobicContact CD1-CZ 4.47Å; I348-F357 HydrophobicContact CG1-CE2 3.93Å
349	E	96.6	Very high	96.4	Very high	19 Å²	19	25.9 Å²	25.9	9%	0.089	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.6	169.2	-177.6	169.9	-164.6	0	0	111.1	L273 R274 T275 G276 K317 K323 I354	L273-E349 HydrophobicContact CD1-CB 3.98Å; L273-E349 HydrophobicContact CD2-CB 4.42Å; L273-E349 HydrophobicContact CG-CB 4.14Å; R274-E349 PolarHBondContact O-N 3.36Å; T275-E349 WeakPolarHBondContact CA-O 3.46Å; G276-E349 PolarHBondContact N-O 2.8Å; K317-E349 HydrophobicContact CD-CG 4.48Å; K317-E349 IonicContact NZ-OE1 2.71Å; K317-E349 PolarHBondContact NZ-OE1 2.88Å; K323-E349 WeakPolarHBondContact CE-OE2 3.44Å; K323-E349 IonicContact NZ-OE1 3.77Å; K323-E349 PolarHBondContact NZ-OE1 2.91Å; K323-E349 IonicContact NZ-OE2 3.14Å; K323-E349 PolarHBondContact NZ-OE2 3.42Å; E349-I354 HydrophobicContact CB-CG1 4.3Å; E349-I354 HydrophobicContact CG-CG1 4.13Å
350	T	94.7	Very high	96.4	Very high	29 Å²	29	23.1 Å²	23.1	18%	0.178	12%	0.119	C	C	.	.			trans	-103.7	176.2	167.6	75.3	0	0	0	0	109.4	V278 K317 H352 E353	V278-T350 HydrophobicContact CG2-CG2 3.95Å; K317-T350 WeakPolarHBondContact CE-O 3.47Å; K317-T350 PolarHBondContact NZ-O 3.23Å; T350-H352 VanDerWaalsContact C-N 3.29Å; T350-H352 PolarHBondContact O-N 2.94Å; T350-E353 WeakPolarHBondContact CB-O 3.4Å; T350-E353 PolarHBondContact N-O 2.87Å; T350-E353 PolarHBondContact OG1-N 2.83Å; T350-E353 PolarHBondContact OG1-O 3.2Å
351	P	93	Very high	96.2	Very high	106 Å²	106	23.7 Å²	23.7	69%	0.688	12%	0.122	S	C	*	.	S	Bend	trans	-55.9	-38.3	176.5	-28.7	37.4	0	0	0	114.5	K317	K317-P351 WeakPolarHBondContact CE-O 3.43Å; K317-P351 PolarHBondContact NZ-O 3.02Å
352	H	91	Very high	95.9	Very high	147 Å²	147	29.3 Å²	29.3	68%	0.681	15%	0.148	S	C	*	.	S	Bend	trans	-113	-19.4	-171.5	-55.4	-59.8	0	0	0	114.8	K317 T350	K317-H352 WeakPolarHBondContact CB-O 3.37Å; K317-H352 PolarHBondContact N-O 3.41Å; T350-H352 VanDerWaalsContact C-N 3.29Å; T350-H352 PolarHBondContact O-N 2.94Å
353	E	94.4	Very high	95.5	Very high	61 Å²	61	29.2 Å²	29.2	29%	0.285	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	149.9	-171.6	-55.4	-173.1	144.4	0	0	110.9	V314 I315 K316 T350	V314-E353 HydrophobicContact CG1-CB 4.3Å; V314-E353 WeakPolarHBondContact CG1-OE2 3.37Å; I315-E353 CarbonylContact O-C 3.54Å; I315-E353 VanDerWaalsContact O-CA 3.25Å; I315-E353 WeakPolarHBondContact O-CA 3.17Å; K316-E353 VanDerWaalsContact CE-OE1 3.22Å; K316-E353 WeakPolarHBondContact CE-OE1 3.28Å; K316-E353 HydrophobicContact CG-CG 4.24Å; T350-E353 WeakPolarHBondContact CB-O 3.4Å; T350-E353 PolarHBondContact N-O 2.87Å; T350-E353 PolarHBondContact OG1-N 2.83Å; T350-E353 PolarHBondContact OG1-O 3.2Å
354	I	95.8	Very high	95.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137	166	-61.4	166.1	0	0	0	107.6	L273 I315 K317 K323 V326 I348 E349 L356	L273-I354 HydrophobicContact CD1-CG2 3.56Å; L273-I354 HydrophobicContact CD2-CD1 4.11Å; I315-I354 PolarHBondContact N-O 2.98Å; I315-I354 PolarHBondContact O-N 3.44Å; K317-I354 HydrophobicContact CD-CD1 4.02Å; K317-I354 HydrophobicContact CD-CG1 3.91Å; K317-I354 HydrophobicContact CG-CD1 4.1Å; K317-I354 HydrophobicContact CG-CG1 4.04Å; K323-I354 HydrophobicContact CB-CD1 4.05Å; K323-I354 HydrophobicContact CG-CD1 4.05Å; V326-I354 HydrophobicContact CB-CD1 4.22Å; V326-I354 HydrophobicContact CG1-CB 4.47Å; V326-I354 HydrophobicContact CG1-CD1 4.21Å; V326-I354 HydrophobicContact CG1-CG2 3.77Å; I348-I354 WeakPolarHBondContact O-CA 3.47Å; E349-I354 HydrophobicContact CB-CG1 4.3Å; E349-I354 HydrophobicContact CG-CG1 4.13Å; I354-L356 HydrophobicContact CG2-CD2 4.32Å
355	V	96.3	Very high	94.9	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.8	177.3	-172.1	0	0	0	0	109.7	V278 M284 A312 K313 V314 A347 I348 F357	V278-V355 HydrophobicContact CG2-CB 4.2Å; V278-V355 HydrophobicContact CG2-CG2 3.91Å; M284-V355 HydrophobicContact SD-CG1 4.37Å; A312-V355 HydrophobicContact CB-CG1 3.88Å; K313-V355 WeakPolarHBondContact O-CA 3.25Å; V314-V355 HydrophobicContact CG1-CG2 4.29Å; V314-V355 HydrophobicContact CG2-CG1 4.12Å; V314-V355 HydrophobicContact CG2-CG2 4.09Å; A347-V355 WeakPolarHBondContact CA-O 3.24Å; I348-V355 PolarHBondContact N-O 3.42Å; I348-V355 PolarHBondContact O-N 2.84Å; V355-F357 HydrophobicContact CB-CE2 3.91Å; V355-F357 HydrophobicContact CB-CZ 3.91Å; V355-F357 HydrophobicContact CG1-CD1 4.46Å; V355-F357 HydrophobicContact CG1-CD2 4.36Å; V355-F357 HydrophobicContact CG1-CE1 3.83Å; V355-F357 HydrophobicContact CG1-CE2 3.72Å; V355-F357 HydrophobicContact CG1-CZ 3.41Å; V355-F357 VanDerWaalsContact CG1-CZ 3.41Å
356	L	97	Very high	94.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121.3	171.1	-55.9	-176.4	0	0	0	108.9	A312 K313 I315 V326 E329 I330 L344 A347 I354 M358	A312-L356 CarbonylContact C-O 3.33Å; A312-L356 WeakPolarHBondContact CA-O 3.32Å; K313-L356 HydrophobicContact CB-CB 4.35Å; K313-L356 PolarHBondContact N-O 2.95Å; K313-L356 PolarHBondContact O-N 2.63Å; I315-L356 HydrophobicContact CD1-CD1 4.04Å; I315-L356 HydrophobicContact CD1-CG 4.25Å; V326-L356 HydrophobicContact CG1-CD1 4.31Å; V326-L356 HydrophobicContact CG1-CD2 3.9Å; V326-L356 HydrophobicContact CG1-CG 4.36Å; E329-L356 HydrophobicContact CG-CD1 4.41Å; I330-L356 HydrophobicContact CD1-CD2 3.82Å; I330-L356 HydrophobicContact CG1-CD2 3.79Å; L344-L356 HydrophobicContact CD1-CB 4.1Å; A347-L356 HydrophobicContact CB-CD2 3.69Å; I354-L356 HydrophobicContact CG2-CD2 4.32Å; L356-M358 HydrophobicContact CB-CG 4.48Å
357	F	97.4	Very high	94.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.3	175.1	-59.6	-85.9	0	0	0	108.3	V278 F282 A311 A312 L344 Y345 A346 I348 V355	V278-F357 HydrophobicContact CG1-CE1 4.34Å; V278-F357 HydrophobicContact CG1-CZ 3.72Å; V278-F357 HydrophobicContact CG2-CZ 4.16Å; F282-F357 HydrophobicContact CB-CE1 3.83Å; F282-F357 HydrophobicContact CB-CZ 4.27Å; F282-F357 AromaticContact CD1-CD1 3.76Å; F282-F357 HydrophobicContact CD1-CD1 3.76Å; F282-F357 AromaticContact CD1-CE1 3.87Å; F282-F357 HydrophobicContact CD1-CE1 3.87Å; F282-F357 HydrophobicContact CD1-CG 4.38Å; F282-F357 HydrophobicContact CD2-CD1 4.17Å; F282-F357 HydrophobicContact CD2-CD2 4.35Å; F282-F357 AromaticContact CD2-CE1 3.74Å; F282-F357 HydrophobicContact CD2-CE1 3.74Å; F282-F357 AromaticContact CD2-CE2 3.95Å; F282-F357 HydrophobicContact CD2-CE2 3.95Å; F282-F357 HydrophobicContact CD2-CG 4.47Å; F282-F357 AromaticContact CD2-CZ 3.63Å; F282-F357 HydrophobicContact CD2-CZ 3.63Å; F282-F357 AromaticContact CE1-CD1 3.95Å; F282-F357 HydrophobicContact CE1-CD1 3.95Å; F282-F357 HydrophobicContact CE1-CE1 4.42Å; F282-F357 HydrophobicContact CE1-CG 4.13Å; F282-F357 HydrophobicContact CE2-CD1 4.35Å; F282-F357 HydrophobicContact CE2-CD2 4.04Å; F282-F357 HydrophobicContact CE2-CE1 4.31Å; F282-F357 AromaticContact CE2-CE2 4Å; F282-F357 HydrophobicContact CE2-CE2 4Å; F282-F357 HydrophobicContact CE2-CG 4.23Å; F282-F357 HydrophobicContact CE2-CZ 4.14Å; F282-F357 AromaticContact CG-CD1 3.89Å; F282-F357 HydrophobicContact CG-CD1 3.89Å; F282-F357 AromaticContact CG-CE1 3.51Å; F282-F357 HydrophobicContact CG-CE1 3.51Å; F282-F357 AromaticContact CG-CZ 3.9Å; F282-F357 HydrophobicContact CG-CZ 3.9Å; F282-F357 HydrophobicContact CZ-CD1 4.25Å; F282-F357 HydrophobicContact CZ-CD2 4.24Å; F282-F357 HydrophobicContact CZ-CG 4.06Å; A311-F357 CarbonylContact O-C 3.58Å; A311-F357 WeakPolarHBondContact O-CA 3.19Å; A312-F357 HydrophobicContact CB-CD1 4.21Å; A312-F357 HydrophobicContact CB-CE1 4.11Å; L344-F357 WeakPolarHBondContact CD1-O 3.48Å; Y345-F357 WeakPolarHBondContact CA-O 3.16Å; Y345-F357 VanDerWaalsContact CB-O 3.29Å; Y345-F357 WeakPolarHBondContact CB-O 3.45Å; Y345-F357 HydrophobicContact CD1-CB 4.46Å; Y345-F357 PolarHBondContact N-O 3.35Å; A346-F357 HydrophobicContact CB-CB 4.24Å; A346-F357 HydrophobicContact CB-CD2 4.07Å; A346-F357 PolarHBondContact N-O 2.91Å; A346-F357 PolarHBondContact O-N 3.14Å; I348-F357 HydrophobicContact CB-CE2 4.12Å; I348-F357 HydrophobicContact CD1-CE2 3.9Å; I348-F357 HydrophobicContact CD1-CZ 4.47Å; I348-F357 HydrophobicContact CG1-CE2 3.93Å; V355-F357 HydrophobicContact CB-CE2 3.91Å; V355-F357 HydrophobicContact CB-CZ 3.91Å; V355-F357 HydrophobicContact CG1-CD1 4.46Å; V355-F357 HydrophobicContact CG1-CD2 4.36Å; V355-F357 HydrophobicContact CG1-CE1 3.83Å; V355-F357 HydrophobicContact CG1-CE2 3.72Å; V355-F357 HydrophobicContact CG1-CZ 3.41Å; V355-F357 VanDerWaalsContact CG1-CZ 3.41Å
358	M	97.1	Very high	93.9	Very high	9 Å²	9	33.3 Å²	33.3	4%	0.044	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	166	-170.7	-58.6	-177.9	-58.5	0	0	111	L310 A311 K313 M333 I342 Q343 L344 L356 Y360	L310-M358 WeakPolarHBondContact CA-O 3.48Å; L310-M358 WeakPolarHBondContact CB-O 3.48Å; L310-M358 WeakPolarHBondContact CD2-O 3.33Å; A311-M358 PolarHBondContact N-O 2.72Å; A311-M358 PolarHBondContact O-N 2.8Å; K313-M358 HydrophobicContact CB-CE 3.71Å; K313-M358 HydrophobicContact CD-CE 4.16Å; M333-M358 HydrophobicContact CE-CG 4.39Å; M333-M358 HydrophobicContact CE-SD 3.99Å; M333-M358 HydrophobicContact SD-SD 4.47Å; I342-M358 HydrophobicContact CD1-CB 4.11Å; I342-M358 HydrophobicContact CD1-CE 4.42Å; I342-M358 HydrophobicContact CD1-SD 4.47Å; I342-M358 HydrophobicContact CG1-CB 4.48Å; Q343-M358 WeakPolarHBondContact O-CA 3.4Å; L344-M358 HydrophobicContact CD1-CG 3.84Å; L356-M358 HydrophobicContact CB-CG 4.48Å; M358-Y360 PolarHBondContact O-N 3.16Å
359	E	96.1	Very high	93.6	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.037	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.6	129.3	167.9	175.8	177.3	-162.8	0	0	111.3	A264 F266 I342 Q343 I361 K422	A264-E359 WeakPolarHBondContact CA-OE1 3.3Å; A264-E359 HydrophobicContact CB-CB 4.3Å; A264-E359 HydrophobicContact CB-CG 4.14Å; F266-E359 HydrophobicContact CE1-CB 4.13Å; F266-E359 HydrophobicContact CZ-CB 3.98Å; I342-E359 HydrophobicContact CG1-CB 3.91Å; Q343-E359 PolarHBondContact N-OE2 3.22Å; Q343-E359 PolarHBondContact O-N 2.98Å; E359-I361 HydrophobicContact CG-CG1 4.26Å; E359-K422 VanDerWaalsContact CD-NZ 3.33Å; E359-K422 IonicContact OE1-NZ 2.84Å; E359-K422 PolarHBondContact OE1-NZ 3.29Å; E359-K422 IonicContact OE2-NZ 3.71Å; E359-K422 PolarHBondContact OE2-NZ 2.76Å
360	Y	95.3	Very high	93.2	Very high	45 Å²	45	33.5 Å²	33.5	18%	0.176	18%	0.176	C	C	.	.			trans	-83.5	128.7	172.6	176.3	-95.7	0	0	0	110.3	L290 T300 K309 M358 E362	L290-Y360 HydrophobicContact CD1-CD2 3.98Å; L290-Y360 HydrophobicContact CD1-CE2 3.75Å; L290-Y360 HydrophobicContact CD2-CE2 3.96Å; T300-Y360 HydrophobicContact CG2-CD2 4.48Å; T300-Y360 HydrophobicContact CG2-CE2 3.91Å; K309-Y360 HydrophobicContact CD-CD1 3.7Å; K309-Y360 HydrophobicContact CD-CE1 3.86Å; K309-Y360 HydrophobicContact CD-CG 4.12Å; K309-Y360 HydrophobicContact CG-CD1 4.07Å; K309-Y360 HydrophobicContact CG-CD2 4.48Å; K309-Y360 HydrophobicContact CG-CG 3.99Å; K309-Y360 PolarHBondContact NZ-OH 2.76Å; M358-Y360 PolarHBondContact O-N 3.16Å; Y360-E362 HydrophobicContact CE1-CB 3.77Å; Y360-E362 HydrophobicContact CE1-CG 4.05Å
361	I	93.4	Very high	93	Very high	17 Å²	17	32.5 Å²	32.5	9%	0.087	17%	0.171	C	C	.	.			trans	-118.7	134.3	179.1	-64.9	170.2	0	0	0	108.3	I342 E359 L412 C413 K422 I424	I342-I361 HydrophobicContact CB-CD1 4.48Å; I342-I361 HydrophobicContact CD1-CD1 4.06Å; I342-I361 HydrophobicContact CG1-CD1 4.05Å; E359-I361 HydrophobicContact CG-CG1 4.26Å; I361-L412 HydrophobicContact CB-CD1 4.05Å; I361-L412 HydrophobicContact CD1-CD1 4.48Å; I361-L412 HydrophobicContact CG2-CB 3.73Å; I361-L412 HydrophobicContact CG2-CD1 3.97Å; I361-C413 WeakPolarHBondContact CG2-O 3.49Å; I361-K422 HydrophobicContact CD1-CB 4.08Å; I361-K422 HydrophobicContact CD1-CD 4.09Å; I361-I424 HydrophobicContact CD1-CG2 3.75Å
362	E	90.5	Very high	92.7	Very high	119 Å²	119	31.8 Å²	31.8	56%	0.556	16%	0.161	S	C	*	.			trans	-104.3	-26.8	-168.3	-162.4	146.6	-116	0	0	114	K309 Y360 G364 V414	K309-E362 IonicContact NZ-OE1 2.71Å; K309-E362 PolarHBondContact NZ-OE1 3.47Å; Y360-E362 HydrophobicContact CE1-CB 3.77Å; Y360-E362 HydrophobicContact CE1-CG 4.05Å; E362-G364 VanDerWaalsContact C-N 3.35Å; E362-G364 PolarHBondContact O-N 3.34Å; E362-V414 PolarHBondContact N-O 3.18Å
363	G	88.9	Confident	92	Very high	7 Å²	7	30.6 Å²	30.6	7%	0.072	16%	0.155	C	C	.	.	S	Bend	trans	-77.2	-1.3	-171.3	0	0	0	0	0	117.7	C413 V414 N415	G363-C413 CarbonylContact C-O 3.59Å; G363-C413 WeakPolarHBondContact CA-O 3.18Å; G363-C413 PolarHBondContact N-O 3.3Å; G363-V414 PolarHBondContact N-O 3.29Å; G363-N415 VanDerWaalsContact CA-C 3.48Å
364	G	90.6	Very high	91.4	Very high	34 Å²	34	34.4 Å²	34.4	35%	0.351	18%	0.178	S	C	.	.			trans	73.7	-178.5	173.5	0	0	0	0	0	116.4	E362 L366 L412 C413	E362-G364 VanDerWaalsContact C-N 3.35Å; E362-G364 PolarHBondContact O-N 3.34Å; G364-L366 PolarHBondContact O-N 2.89Å; G364-L412 CarbonylContact O-C 3.54Å; G364-L412 VanDerWaalsContact O-CA 3.24Å; G364-L412 WeakPolarHBondContact O-CA 3.19Å; G364-C413 PolarHBondContact O-N 3.17Å
365	E	92.1	Very high	90.8	Very high	54 Å²	54	36 Å²	36	25%	0.252	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	-56.8	126.8	176.6	-81.9	-178	-131.9	0	0	109.8	F367 E368 R369 L412 R566	E365-F367 PolarHBondContact O-N 2.93Å; E365-E368 HydrophobicContact CB-CB 4.08Å; E365-E368 HydrophobicContact CB-CG 3.72Å; E365-E368 PolarHBondContact O-N 3.32Å; E365-R369 PolarHBondContact O-N 2.94Å; E365-R369 VanDerWaalsContact O-N 3.15Å; E365-L412 HydrophobicContact CG-CD2 4.2Å; E365-R566 IonicContact OE1-NH2 2.66Å; E365-R566 IonicContact OE2-CZ 2.77Å; E365-R566 IonicContact OE2-NH1 3.62Å; E365-R566 PolarHBondContact OE2-NH1 2.79Å; E365-R566 IonicContact OE2-NH2 3.03Å; E365-R566 PolarHBondContact OE2-NH2 3.16Å
366	L	92.8	Very high	90.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-50.2	-45.7	-179.3	168.1	63.1	0	0	0	112.4	G364 E368 R369 I370 F385 I389 I411 C413 V421	G364-L366 PolarHBondContact O-N 2.89Å; L366-E368 VanDerWaalsContact C-N 3.28Å; L366-E368 PolarHBondContact O-N 2.91Å; L366-R369 VanDerWaalsContact CD1-NH2 3.32Å; L366-R369 PolarHBondContact O-N 3.01Å; L366-I370 HydrophobicContact CD1-CG2 4.01Å; L366-I370 PolarHBondContact O-N 3.16Å; L366-F385 HydrophobicContact CD1-CD1 3.8Å; L366-F385 HydrophobicContact CD1-CD2 4.05Å; L366-F385 HydrophobicContact CD1-CE1 3.86Å; L366-F385 HydrophobicContact CD1-CE2 4.11Å; L366-F385 HydrophobicContact CD1-CG 3.94Å; L366-F385 HydrophobicContact CD1-CZ 4.06Å; L366-F385 HydrophobicContact CD2-CB 4.25Å; L366-F385 HydrophobicContact CD2-CG 4.28Å; L366-I389 HydrophobicContact CD2-CD1 4.4Å; L366-I411 HydrophobicContact CB-CB 4.44Å; L366-I411 HydrophobicContact CB-CG2 4.01Å; L366-I411 WeakPolarHBondContact CB-O 3.42Å; L366-I411 HydrophobicContact CD2-CG2 3.81Å; L366-I411 PolarHBondContact N-O 3.39Å; L366-C413 VanDerWaalsContact CA-SG 3.56Å; L366-V421 HydrophobicContact CD1-CG1 4.08Å; L366-V421 HydrophobicContact CD2-CG1 4.38Å
367	F	91.8	Very high	90.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69.2	-28	-176.3	-84	-140.4	0	0	0	112.3	E365 I370 V371 P408 I470 M473 L474 L559 L563	E365-F367 PolarHBondContact O-N 2.93Å; F367-I370 HydrophobicContact CD2-CD1 4.32Å; F367-V371 WeakPolarHBondContact O-CG1 3.37Å; F367-V371 WeakPolarHBondContact O-CG2 3.22Å; F367-P408 HydrophobicContact CB-CB 4.06Å; F367-P408 HydrophobicContact CD1-CB 3.56Å; F367-P408 HydrophobicContact CD1-CG 3.48Å; F367-P408 VanDerWaalsContact CD1-CG 3.48Å; F367-P408 HydrophobicContact CD2-CB 3.91Å; F367-P408 HydrophobicContact CD2-CG 4.24Å; F367-P408 HydrophobicContact CE1-CB 3.95Å; F367-P408 HydrophobicContact CE1-CG 3.35Å; F367-P408 HydrophobicContact CE2-CB 4.26Å; F367-P408 HydrophobicContact CE2-CG 4.12Å; F367-P408 HydrophobicContact CG-CB 3.57Å; F367-P408 HydrophobicContact CG-CG 3.97Å; F367-P408 HydrophobicContact CZ-CB 4.3Å; F367-P408 HydrophobicContact CZ-CG 3.71Å; F367-I470 HydrophobicContact CE2-CG2 4.08Å; F367-I470 HydrophobicContact CZ-CG2 4.05Å; F367-M473 HydrophobicContact CE1-CB 3.76Å; F367-M473 HydrophobicContact CE1-CE 3.99Å; F367-M473 HydrophobicContact CE1-SD 4.1Å; F367-M473 HydrophobicContact CZ-CB 3.98Å; F367-L474 HydrophobicContact CD2-CD2 4.07Å; F367-L474 HydrophobicContact CE2-CD1 4.47Å; F367-L474 HydrophobicContact CE2-CD2 3.46Å; F367-L474 VanDerWaalsContact CE2-CD2 3.46Å; F367-L474 HydrophobicContact CE2-CG 3.84Å; F367-L474 HydrophobicContact CZ-CD2 3.92Å; F367-L474 HydrophobicContact CZ-CG 3.94Å; F367-L559 HydrophobicContact CB-CD2 4.36Å; F367-L559 HydrophobicContact CD1-CD1 3.65Å; F367-L559 HydrophobicContact CD1-CD2 3.74Å; F367-L559 HydrophobicContact CD1-CG 4.03Å; F367-L559 HydrophobicContact CE1-CD1 3.72Å; F367-L559 HydrophobicContact CE1-CD2 4.16Å; F367-L559 HydrophobicContact CE1-CG 4.48Å; F367-L559 HydrophobicContact CG-CD2 4.06Å; F367-L563 HydrophobicContact CB-CD1 4.21Å; F367-L563 HydrophobicContact CB-CD2 4.26Å; F367-L563 VanDerWaalsContact O-CD1 3.24Å; F367-L563 WeakPolarHBondContact O-CD1 3.36Å
368	E	90.1	Very high	89.9	Confident	41 Å²	41	41.9 Å²	41.9	19%	0.192	21%	0.212	C	C	.	.	H	α-helix	trans	-77.8	-33.2	177	-61.6	-79	-160.3	0	0	111.4	E365 L366 V371 R567	E365-E368 HydrophobicContact CB-CB 4.08Å; E365-E368 HydrophobicContact CB-CG 3.72Å; E365-E368 PolarHBondContact O-N 3.32Å; L366-E368 VanDerWaalsContact C-N 3.28Å; L366-E368 PolarHBondContact O-N 2.91Å; E368-V371 WeakPolarHBondContact O-CG2 3.32Å; E368-R567 IonicContact OE1-CZ 2.79Å; E368-R567 IonicContact OE1-NE 2.67Å; E368-R567 PolarHBondContact OE1-NE 3.5Å; E368-R567 IonicContact OE1-NH2 3.62Å; E368-R567 PolarHBondContact OE1-NH2 2.92Å; E368-R567 IonicContact OE2-CZ 2.71Å; E368-R567 VanDerWaalsContact OE2-CZ 3.32Å; E368-R567 IonicContact OE2-NE 2.88Å; E368-R567 IonicContact OE2-NH2 3.39Å; E368-R567 PolarHBondContact OE2-NH2 3.14Å
369	R	89.8	Confident	89.7	Confident	23 Å²	23	42.2 Å²	42.2	9%	0.087	21%	0.213	C	C	.	.	H	α-helix	trans	-67.5	-45.1	174	-178.2	178.3	57.5	76.6	1.4	112.4	E365 L366 V371 D372 Y375 C413 T416	E365-R369 PolarHBondContact O-N 2.94Å; E365-R369 VanDerWaalsContact O-N 3.15Å; L366-R369 VanDerWaalsContact CD1-NH2 3.32Å; L366-R369 PolarHBondContact O-N 3.01Å; R369-V371 PolarHBondContact O-N 2.74Å; R369-D372 WeakPolarHBondContact O-CB 3.47Å; R369-D372 PolarHBondContact O-N 2.82Å; R369-Y375 VanDerWaalsContact NH1-CZ 3.27Å; R369-Y375 PolarHBondContact NH1-OH 2.85Å; R369-C413 PolarHBondContact NE-SG 3.01Å; R369-C413 PolarHBondContact NH2-SG 2.86Å; R369-T416 WeakPolarHBondContact CD-O 3.38Å
370	I	89.3	Confident	89.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-5.7	-175.1	67.2	-174.8	0	0	0	114.1	L366 F367 Y375 L377 F385 L474 Q556 L559	L366-I370 HydrophobicContact CD1-CG2 4.01Å; L366-I370 PolarHBondContact O-N 3.16Å; F367-I370 HydrophobicContact CD2-CD1 4.32Å; I370-Y375 HydrophobicContact CB-CD1 4.17Å; I370-Y375 HydrophobicContact CB-CE1 4.3Å; I370-Y375 HydrophobicContact CG2-CD1 4.24Å; I370-Y375 HydrophobicContact CG2-CE1 3.93Å; I370-L377 HydrophobicContact CB-CD1 4.27Å; I370-L377 HydrophobicContact CB-CD2 4.33Å; I370-L377 HydrophobicContact CD1-CD2 4.18Å; I370-L377 HydrophobicContact CG2-CD1 4.13Å; I370-F385 HydrophobicContact CG2-CE2 4.04Å; I370-F385 HydrophobicContact CG2-CZ 4.36Å; I370-L474 HydrophobicContact CD1-CD2 3.27Å; I370-Q556 WeakPolarHBondContact O-CG 3.31Å; I370-Q556 PolarHBondContact O-NE2 3.38Å; I370-L559 HydrophobicContact CD1-CD2 3.75Å; I370-L559 HydrophobicContact CG1-CD2 4.01Å
371	V	89.3	Confident	89.4	Confident	9 Å²	9	41 Å²	41	6%	0.055	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	7.6	172.5	-58.5	0	0	0	0	113.4	F367 E368 R369 L559 K560 L563	F367-V371 WeakPolarHBondContact O-CG1 3.37Å; F367-V371 WeakPolarHBondContact O-CG2 3.22Å; E368-V371 WeakPolarHBondContact O-CG2 3.32Å; R369-V371 PolarHBondContact O-N 2.74Å; V371-L559 HydrophobicContact CG1-CB 3.78Å; V371-L559 HydrophobicContact CG1-CD2 3.93Å; V371-L559 HydrophobicContact CG1-CG 3.99Å; V371-K560 HydrophobicContact CB-CB 3.93Å; V371-K560 HydrophobicContact CB-CD 4.39Å; V371-K560 HydrophobicContact CB-CG 4.01Å; V371-K560 HydrophobicContact CG1-CB 4.18Å; V371-K560 HydrophobicContact CG2-CB 4.46Å; V371-K560 HydrophobicContact CG2-CG 4.15Å; V371-K560 WeakPolarHBondContact O-CD 3.37Å; V371-K560 WeakPolarHBondContact O-CE 3.47Å; V371-K560 PolarHBondContact O-NZ 3.13Å; V371-L563 HydrophobicContact CB-CD1 4.41Å; V371-L563 HydrophobicContact CG1-CD1 3.9Å; V371-L563 HydrophobicContact CG2-CD1 3.67Å
372	D	86.7	Confident	89.5	Confident	91 Å²	91	40.2 Å²	40.2	49%	0.487	21%	0.206	S	C	.	.	S	Bend	trans	-64.1	145.9	166.3	-147.9	-36.7	0	0	0	110.1	R369 D374 Y375	R369-D372 WeakPolarHBondContact O-CB 3.47Å; R369-D372 PolarHBondContact O-N 2.82Å; D372-D374 VanDerWaalsContact C-N 3.32Å; D372-D374 PolarHBondContact O-N 3.38Å; D372-Y375 PolarHBondContact O-N 2.88Å
373	E	77	Confident	89.7	Confident	121 Å²	121	34.7 Å²	34.7	57%	0.565	18%	0.181	S	C	*	.	S	Bend	trans	-67.8	-37.1	-175.6	-63.6	-62.4	154.9	0	0	111.4	Y375 R552 K560	E373-Y375 VanDerWaalsContact C-N 3.27Å; E373-Y375 PolarHBondContact O-N 3.04Å; E373-R552 PolarHBondContact O-NH2 3Å; E373-K560 IonicContact OE1-NZ 2.84Å; E373-K560 PolarHBondContact OE1-NZ 3.25Å
374	D	81.5	Confident	90	Very high	142 Å²	142	34.4 Å²	34.4	76%	0.759	18%	0.177	S	C	*	.	S	Bend	trans	-70.9	-21.5	178.4	-68.1	-22.2	0	0	0	112.2	D372 H376	D372-D374 VanDerWaalsContact C-N 3.32Å; D372-D374 PolarHBondContact O-N 3.38Å; D374-H376 PolarHBondContact O-ND1 2.97Å
375	Y	84.7	Confident	90.2	Very high	35 Å²	35	32.8 Å²	32.8	14%	0.137	16%	0.161	C	C	.	.			trans	-76.4	135.4	177.5	-161.9	-92.9	0	0	0	111.1	R369 I370 D372 E373 L377 D381 H419 R552 Q556	R369-Y375 VanDerWaalsContact NH1-CZ 3.27Å; R369-Y375 PolarHBondContact NH1-OH 2.85Å; I370-Y375 HydrophobicContact CB-CD1 4.17Å; I370-Y375 HydrophobicContact CB-CE1 4.3Å; I370-Y375 HydrophobicContact CG2-CD1 4.24Å; I370-Y375 HydrophobicContact CG2-CE1 3.93Å; D372-Y375 PolarHBondContact O-N 2.88Å; E373-Y375 VanDerWaalsContact C-N 3.27Å; E373-Y375 PolarHBondContact O-N 3.04Å; Y375-L377 HydrophobicContact CD1-CB 3.93Å; Y375-L377 HydrophobicContact CE1-CB 3.87Å; Y375-L377 HydrophobicContact CE1-CD1 3.86Å; Y375-L377 HydrophobicContact CE1-CG 4.5Å; Y375-D381 PolarHBondContact OH-OD1 3.49Å; Y375-H419 PolarHBondContact OH-CE1 2.71Å; Y375-H419 VanDerWaalsContact OH-CE1 3.25Å; Y375-H419 PolarHBondContact OH-ND1 2.87Å; Y375-R552 PolarHBondContact O-NH2 2.7Å; Y375-Q556 PolarHBondContact O-NE2 2.88Å; Y375-Q556 PolarHBondContact O-OE1 3.49Å
376	H	87.2	Confident	90.5	Very high	115 Å²	115	30.2 Å²	30.2	53%	0.532	15%	0.149	S	C	.	.			trans	-114.6	71.9	-176	-77.4	69.2	0	0	0	110.8	D374 T378 R552	D374-H376 PolarHBondContact O-ND1 2.97Å; H376-T378 PolarHBondContact O-N 2.88Å; H376-R552 PolarHBondContact NE2-NH1 3.27Å; H376-R552 VanDerWaalsContact NE2-NH1 3.12Å
377	L	90.4	Very high	90.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.			trans	-64.6	123.4	-174.6	-176.4	70.3	0	0	0	112.5	I370 Y375 D381 F385 R552 L553 S555 Q556	I370-L377 HydrophobicContact CB-CD1 4.27Å; I370-L377 HydrophobicContact CB-CD2 4.33Å; I370-L377 HydrophobicContact CD1-CD2 4.18Å; I370-L377 HydrophobicContact CG2-CD1 4.13Å; Y375-L377 HydrophobicContact CD1-CB 3.93Å; Y375-L377 HydrophobicContact CE1-CB 3.87Å; Y375-L377 HydrophobicContact CE1-CD1 3.86Å; Y375-L377 HydrophobicContact CE1-CG 4.5Å; L377-D381 HydrophobicContact CD1-CB 3.71Å; L377-F385 HydrophobicContact CD1-CE2 4.03Å; L377-R552 CarbonylContact O-C 3.59Å; L377-R552 WeakPolarHBondContact O-CA 3.24Å; L377-L553 HydrophobicContact CD2-CD1 4.36Å; L377-L553 HydrophobicContact CG-CD1 4.28Å; L377-L553 PolarHBondContact O-N 2.77Å; L377-S555 WeakPolarHBondContact CD2-OG 3.4Å; L377-Q556 HydrophobicContact CB-CG 3.69Å; L377-Q556 HydrophobicContact CD2-CG 4.07Å
378	T	92.8	Very high	90.9	Very high	10 Å²	10	33.4 Å²	33.4	6%	0.061	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-108.5	171.2	172.7	68.9	0	0	0	0	112.3	H376 V380 D381 T382	H376-T378 PolarHBondContact O-N 2.88Å; T378-V380 PolarHBondContact O-N 2.72Å; T378-V380 PolarHBondContact OG1-N 2.85Å; T378-D381 WeakPolarHBondContact CB-OD2 3.18Å; T378-D381 PolarHBondContact N-OD2 3.03Å; T378-D381 PolarHBondContact OG1-N 3.27Å; T378-D381 PolarHBondContact OG1-OD2 3.24Å; T378-T382 PolarHBondContact O-N 3.32Å; T378-T382 PolarHBondContact O-OG1 3.29Å
379	E	93.9	Very high	91.3	Very high	16 Å²	16	31.5 Å²	31.5	8%	0.075	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-31.9	167.4	-165.6	-179	129.5	0	0	111.8	T382 M383 L475 S509 W538 L553	E379-T382 WeakPolarHBondContact O-CA 3.27Å; E379-T382 VanDerWaalsContact O-CB 3.28Å; E379-T382 WeakPolarHBondContact O-CB 3.35Å; E379-T382 PolarHBondContact O-N 2.68Å; E379-T382 VanDerWaalsContact O-N 3.11Å; E379-M383 WeakPolarHBondContact O-CG 3.44Å; E379-M383 PolarHBondContact O-N 3Å; E379-L475 HydrophobicContact CG-CD2 3.91Å; E379-S509 VanDerWaalsContact OE1-CB 3.29Å; E379-S509 WeakPolarHBondContact OE1-CB 3.08Å; E379-S509 PolarHBondContact OE1-OG 3.36Å; E379-S509 PolarHBondContact OE2-N 3.21Å; E379-W538 HydrophobicContact CG-CZ2 4.08Å; E379-W538 PolarHBondContact OE1-NE1 3.42Å; E379-L553 HydrophobicContact CB-CD2 4.43Å
380	V	92.8	Very high	91.7	Very high	9 Å²	9	30.4 Å²	30.4	6%	0.055	15%	0.148	C	C	.	.	H	α-helix	trans	-71.3	-39.4	-178.7	174.5	0	0	0	0	111.7	L256 T378 T382 M383 V384 L542 K545 A546 C549	L256-V380 HydrophobicContact CD2-CG1 3.51Å; T378-V380 PolarHBondContact O-N 2.72Å; T378-V380 PolarHBondContact OG1-N 2.85Å; V380-T382 PolarHBondContact O-N 2.88Å; V380-M383 HydrophobicContact CG2-SD 4.3Å; V380-M383 WeakPolarHBondContact O-CB 3.35Å; V380-M383 PolarHBondContact O-N 3.03Å; V380-V384 PolarHBondContact O-N 2.86Å; V380-V384 VanDerWaalsContact O-N 3.15Å; V380-L542 HydrophobicContact CG1-CD1 3.95Å; V380-K545 HydrophobicContact CG2-CB 4.4Å; V380-A546 HydrophobicContact CG1-CB 4.1Å; V380-C549 HydrophobicContact CG2-CB 3.78Å
381	D	92.4	Very high	92.1	Very high	18 Å²	18	33 Å²	33	10%	0.096	16%	0.162	C	C	.	.	H	α-helix	trans	-55.1	-43.4	165.9	-70.5	-84.1	0	0	0	111.5	Y375 L377 T378 M383 V384 F385 H419	Y375-D381 PolarHBondContact OH-OD1 3.49Å; L377-D381 HydrophobicContact CD1-CB 3.71Å; T378-D381 WeakPolarHBondContact CB-OD2 3.18Å; T378-D381 PolarHBondContact N-OD2 3.03Å; T378-D381 PolarHBondContact OG1-N 3.27Å; T378-D381 PolarHBondContact OG1-OD2 3.24Å; D381-M383 VanDerWaalsContact C-N 3.33Å; D381-M383 PolarHBondContact O-N 3.28Å; D381-V384 WeakPolarHBondContact O-CB 3.03Å; D381-V384 PolarHBondContact O-N 3.14Å; D381-V384 VanDerWaalsContact O-N 3.11Å; D381-F385 HydrophobicContact CB-CE2 3.88Å; D381-F385 HydrophobicContact CB-CZ 4.45Å; D381-F385 WeakPolarHBondContact O-CD2 3.33Å; D381-F385 WeakPolarHBondContact O-CE2 3.45Å; D381-F385 WeakPolarHBondContact O-CG 3.15Å; D381-F385 PolarHBondContact O-N 2.88Å; D381-H419 IonicContact OD1-CE1 3.22Å; D381-H419 PolarHBondContact OD1-CE1 3.18Å; D381-H419 IonicContact OD1-ND1 2.82Å; D381-H419 PolarHBondContact OD1-ND1 3.4Å
382	T	94.8	Very high	92.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.6	-39.4	-176.9	-55.8	0	0	0	0	110.6	T378 E379 V380 V384 F385 V386 L474 L475 W538	T378-T382 PolarHBondContact O-N 3.32Å; T378-T382 PolarHBondContact O-OG1 3.29Å; E379-T382 WeakPolarHBondContact O-CA 3.27Å; E379-T382 VanDerWaalsContact O-CB 3.28Å; E379-T382 WeakPolarHBondContact O-CB 3.35Å; E379-T382 PolarHBondContact O-N 2.68Å; E379-T382 VanDerWaalsContact O-N 3.11Å; V380-T382 PolarHBondContact O-N 2.88Å; T382-V384 PolarHBondContact O-N 3.35Å; T382-F385 PolarHBondContact O-N 3.21Å; T382-V386 HydrophobicContact CG2-CG2 4.25Å; T382-V386 WeakPolarHBondContact O-CB 3.24Å; T382-V386 VanDerWaalsContact O-CG2 3.26Å; T382-V386 WeakPolarHBondContact O-CG2 3.46Å; T382-V386 PolarHBondContact O-N 3.33Å; T382-L474 HydrophobicContact CG2-CB 3.48Å; T382-L474 VanDerWaalsContact CG2-CB 3.48Å; T382-L474 HydrophobicContact CG2-CD1 3.97Å; T382-L474 HydrophobicContact CG2-CG 4.32Å; T382-L475 HydrophobicContact CG2-CD2 3.95Å; T382-L475 HydrophobicContact CG2-CG 4.2Å; T382-W538 HydrophobicContact CG2-CH2 4.03Å; T382-W538 HydrophobicContact CG2-CZ2 4.42Å
383	M	95.2	Very high	93.1	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.015	14%	0.136	C	C	.	.	H	α-helix	trans	-58.4	-44.4	169.9	-65.2	155.9	57.6	0	0	111.9	E379 V380 D381 F385 V386 R387 W538 L539 L542 K545	E379-M383 WeakPolarHBondContact O-CG 3.44Å; E379-M383 PolarHBondContact O-N 3Å; V380-M383 HydrophobicContact CG2-SD 4.3Å; V380-M383 WeakPolarHBondContact O-CB 3.35Å; V380-M383 PolarHBondContact O-N 3.03Å; D381-M383 VanDerWaalsContact C-N 3.33Å; D381-M383 PolarHBondContact O-N 3.28Å; M383-F385 PolarHBondContact O-N 3.25Å; M383-V386 PolarHBondContact O-N 3.27Å; M383-R387 WeakPolarHBondContact O-CB 3.13Å; M383-R387 PolarHBondContact O-N 3.15Å; M383-W538 WeakPolarHBondContact CE-O 3.27Å; M383-W538 HydrophobicContact CG-CD2 4.16Å; M383-W538 HydrophobicContact CG-CH2 4.33Å; M383-W538 HydrophobicContact CG-CZ2 3.69Å; M383-L539 HydrophobicContact CB-CD2 4.16Å; M383-L539 HydrophobicContact CG-CD2 4.37Å; M383-L542 HydrophobicContact CB-CD1 3.9Å; M383-L542 HydrophobicContact CE-CB 4.41Å; M383-L542 HydrophobicContact CE-CD1 3.43Å; M383-L542 VanDerWaalsContact CE-CD1 3.43Å; M383-L542 HydrophobicContact SD-CD1 4.36Å; M383-K545 HydrophobicContact CE-CB 4.17Å; M383-K545 HydrophobicContact CE-CD 3.36Å; M383-K545 HydrophobicContact CE-CG 4.4Å; M383-K545 HydrophobicContact SD-CD 4.07Å
384	V	94.2	Very high	94.1	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-60.8	-43.4	178.1	172.8	0	0	0	0	111.9	L256 V380 D381 T382 Q388 H419 L542	L256-V384 HydrophobicContact CD2-CG2 4.11Å; V380-V384 PolarHBondContact O-N 2.86Å; V380-V384 VanDerWaalsContact O-N 3.15Å; D381-V384 WeakPolarHBondContact O-CB 3.03Å; D381-V384 PolarHBondContact O-N 3.14Å; D381-V384 VanDerWaalsContact O-N 3.11Å; T382-V384 PolarHBondContact O-N 3.35Å; V384-Q388 PolarHBondContact O-N 3.4Å; V384-Q388 PolarHBondContact O-NE2 2.84Å; V384-Q388 VanDerWaalsContact O-NE2 3.16Å; V384-H419 HydrophobicContact CG1-CB 3.71Å; V384-L542 HydrophobicContact CG2-CD1 4.06Å; V384-L542 HydrophobicContact CG2-CD2 3.9Å
385	F	95.8	Very high	94.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.3	-51.6	176.9	-58.1	-47.2	0	0	0	111.8	L366 I370 L377 D381 T382 M383 R387 Q388 I389 H419 V421	L366-F385 HydrophobicContact CD1-CD1 3.8Å; L366-F385 HydrophobicContact CD1-CD2 4.05Å; L366-F385 HydrophobicContact CD1-CE1 3.86Å; L366-F385 HydrophobicContact CD1-CE2 4.11Å; L366-F385 HydrophobicContact CD1-CG 3.94Å; L366-F385 HydrophobicContact CD1-CZ 4.06Å; L366-F385 HydrophobicContact CD2-CB 4.25Å; L366-F385 HydrophobicContact CD2-CG 4.28Å; I370-F385 HydrophobicContact CG2-CE2 4.04Å; I370-F385 HydrophobicContact CG2-CZ 4.36Å; L377-F385 HydrophobicContact CD1-CE2 4.03Å; D381-F385 HydrophobicContact CB-CE2 3.88Å; D381-F385 HydrophobicContact CB-CZ 4.45Å; D381-F385 WeakPolarHBondContact O-CD2 3.33Å; D381-F385 WeakPolarHBondContact O-CE2 3.45Å; D381-F385 WeakPolarHBondContact O-CG 3.15Å; D381-F385 PolarHBondContact O-N 2.88Å; T382-F385 PolarHBondContact O-N 3.21Å; M383-F385 PolarHBondContact O-N 3.25Å; F385-R387 VanDerWaalsContact C-N 3.32Å; F385-R387 PolarHBondContact O-N 2.96Å; F385-Q388 PolarHBondContact O-N 2.97Å; F385-I389 HydrophobicContact CB-CD1 4.47Å; F385-I389 VanDerWaalsContact O-CD1 3.31Å; F385-I389 WeakPolarHBondContact O-CD1 3.3Å; F385-I389 WeakPolarHBondContact O-CG1 3.34Å; F385-I389 PolarHBondContact O-N 3.44Å; F385-H419 WeakPolarHBondContact CD1-O 3.39Å; F385-H419 HydrophobicContact CE1-CB 3.89Å; F385-H419 VanDerWaalsContact CE1-O 3.26Å; F385-H419 WeakPolarHBondContact CE1-O 3.38Å; F385-H419 HydrophobicContact CZ-CB 4.34Å; F385-V421 HydrophobicContact CD1-CG1 3.78Å; F385-V421 HydrophobicContact CE1-CG1 4.3Å
386	V	97.6	Very high	95.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.4	-40.6	-175.8	173.6	0	0	0	0	111.1	T382 M383 I389 C390 M467 T471 L474 F515 W538 L539	T382-V386 HydrophobicContact CG2-CG2 4.25Å; T382-V386 WeakPolarHBondContact O-CB 3.24Å; T382-V386 VanDerWaalsContact O-CG2 3.26Å; T382-V386 WeakPolarHBondContact O-CG2 3.46Å; T382-V386 PolarHBondContact O-N 3.33Å; M383-V386 PolarHBondContact O-N 3.27Å; V386-I389 PolarHBondContact O-N 2.83Å; V386-C390 WeakPolarHBondContact O-CB 3.38Å; V386-C390 PolarHBondContact O-N 2.93Å; V386-C390 PolarHBondContact O-SG 2.92Å; V386-C390 VanDerWaalsContact O-SG 3.33Å; V386-M467 HydrophobicContact CB-CE 4.36Å; V386-M467 HydrophobicContact CG1-CE 4Å; V386-M467 HydrophobicContact CG1-SD 4.49Å; V386-M467 HydrophobicContact CG2-CE 3.99Å; V386-T471 HydrophobicContact CG2-CG2 4.04Å; V386-L474 HydrophobicContact CG2-CD1 4Å; V386-F515 HydrophobicContact CG1-CE1 3.74Å; V386-F515 HydrophobicContact CG1-CZ 3.64Å; V386-W538 HydrophobicContact CB-CZ3 4.28Å; V386-W538 HydrophobicContact CG1-CZ3 4.14Å; V386-W538 HydrophobicContact CG2-CH2 4.31Å; V386-W538 HydrophobicContact CG2-CZ3 4.32Å; V386-L539 HydrophobicContact CB-CD2 4.15Å; V386-L539 HydrophobicContact CG1-CD1 4.08Å; V386-L539 HydrophobicContact CG1-CD2 4.06Å
387	R	96.8	Very high	96	Very high	60 Å²	60	13.6 Å²	13.6	23%	0.226	7%	0.065	C	C	.	.	H	α-helix	trans	-58.1	-53.4	175.5	179.2	168.1	161.9	80.7	-1	112.2	D258 M383 F385 I389 C390 D391 L534 L539	D258-R387 WeakPolarHBondContact OD1-CD 3.45Å; D258-R387 IonicContact OD1-CZ 3.39Å; D258-R387 IonicContact OD1-NE 2.68Å; D258-R387 PolarHBondContact OD1-NE 2.93Å; D258-R387 IonicContact OD1-NH2 3.89Å; D258-R387 IonicContact OD2-CZ 2.64Å; D258-R387 IonicContact OD2-NE 3.68Å; D258-R387 PolarHBondContact OD2-NE 2.86Å; D258-R387 IonicContact OD2-NH2 2.71Å; D258-R387 PolarHBondContact OD2-NH2 3.03Å; M383-R387 WeakPolarHBondContact O-CB 3.13Å; M383-R387 PolarHBondContact O-N 3.15Å; F385-R387 VanDerWaalsContact C-N 3.32Å; F385-R387 PolarHBondContact O-N 2.96Å; R387-I389 VanDerWaalsContact C-N 3.32Å; R387-I389 PolarHBondContact O-N 3.32Å; R387-C390 CarbonylContact O-C 3.5Å; R387-C390 PolarHBondContact O-N 2.88Å; R387-C390 VanDerWaalsContact O-N 3.14Å; R387-D391 PolarHBondContact O-N 3.27Å; R387-L534 HydrophobicContact CG-CD2 3.94Å; R387-L539 HydrophobicContact CB-CD1 4.39Å
388	Q	96.9	Very high	96.3	Very high	7 Å²	7	20.7 Å²	20.7	3%	0.033	10%	0.095	C	C	.	.	H	α-helix	trans	-59.4	-38.3	176.5	-80.9	179.7	79.3	0	0	113.8	N340 V384 F385 G392 H419 V421	N340-Q388 WeakPolarHBondContact ND2-CB 3.39Å; N340-Q388 PolarHBondContact ND2-OE1 3.31Å; V384-Q388 PolarHBondContact O-N 3.4Å; V384-Q388 PolarHBondContact O-NE2 2.84Å; V384-Q388 VanDerWaalsContact O-NE2 3.16Å; F385-Q388 PolarHBondContact O-N 2.97Å; Q388-G392 PolarHBondContact O-N 3.33Å; Q388-G392 VanDerWaalsContact O-N 3.15Å; Q388-H419 PolarHBondContact NE2-O 3.33Å; Q388-V421 HydrophobicContact CB-CG2 3.59Å; Q388-V421 HydrophobicContact CG-CG2 4.41Å
389	I	98.1	Very high	96.5	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-67.7	-44.4	175.9	-60.9	156.8	0	0	0	109.6	L366 F385 V386 R387 D391 G392 I393 I411 V421 I423 M467	L366-I389 HydrophobicContact CD2-CD1 4.4Å; F385-I389 HydrophobicContact CB-CD1 4.47Å; F385-I389 VanDerWaalsContact O-CD1 3.31Å; F385-I389 WeakPolarHBondContact O-CD1 3.3Å; F385-I389 WeakPolarHBondContact O-CG1 3.34Å; F385-I389 PolarHBondContact O-N 3.44Å; V386-I389 PolarHBondContact O-N 2.83Å; R387-I389 VanDerWaalsContact C-N 3.32Å; R387-I389 PolarHBondContact O-N 3.32Å; I389-D391 PolarHBondContact O-N 2.91Å; I389-G392 PolarHBondContact O-N 3.26Å; I389-I393 HydrophobicContact CG2-CD1 3.76Å; I389-I393 HydrophobicContact CG2-CG1 4.37Å; I389-I393 VanDerWaalsContact O-CG1 3.29Å; I389-I393 WeakPolarHBondContact O-CG1 3.48Å; I389-I393 PolarHBondContact O-N 3.33Å; I389-I411 HydrophobicContact CD1-CD1 3.84Å; I389-I411 HydrophobicContact CD1-CG2 4.23Å; I389-I411 HydrophobicContact CG1-CD1 4.34Å; I389-I411 HydrophobicContact CG1-CG2 4.29Å; I389-V421 HydrophobicContact CG1-CG2 4.09Å; I389-I423 HydrophobicContact CG2-CD1 4.19Å; I389-M467 HydrophobicContact CB-CE 4.43Å; I389-M467 HydrophobicContact CB-SD 3.91Å; I389-M467 HydrophobicContact CD1-CE 4.21Å; I389-M467 HydrophobicContact CG2-CE 4.23Å; I389-M467 HydrophobicContact CG2-SD 3.41Å; I389-M467 WeakPolarHBondContact CG2-SD 3.47Å
390	C	98.3	Very high	96.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.9	-36.6	175.1	-73.6	0	0	0	0	113.2	V386 R387 I393 L394 L534	V386-C390 WeakPolarHBondContact O-CB 3.38Å; V386-C390 PolarHBondContact O-N 2.93Å; V386-C390 PolarHBondContact O-SG 2.92Å; V386-C390 VanDerWaalsContact O-SG 3.33Å; R387-C390 CarbonylContact O-C 3.5Å; R387-C390 PolarHBondContact O-N 2.88Å; R387-C390 VanDerWaalsContact O-N 3.14Å; C390-I393 PolarHBondContact O-N 3.28Å; C390-L394 VanDerWaalsContact O-CB 3.24Å; C390-L394 WeakPolarHBondContact O-CB 3.43Å; C390-L394 PolarHBondContact O-N 3.07Å; C390-L534 HydrophobicContact CB-CD1 4.26Å; C390-L534 HydrophobicContact CB-CD2 3.89Å; C390-L534 HydrophobicContact CB-CG 3.85Å
391	D	97.7	Very high	96.7	Very high	54 Å²	54	30.3 Å²	30.3	29%	0.289	13%	0.133	S	C	.	.	H	α-helix	trans	-64.4	-43	173.4	-81.1	-49.8	0	0	0	111.7	R387 I389 L394 F395 L534	R387-D391 PolarHBondContact O-N 3.27Å; I389-D391 PolarHBondContact O-N 2.91Å; D391-L394 PolarHBondContact O-N 2.87Å; D391-F395 PolarHBondContact O-N 3.44Å; D391-L534 VanDerWaalsContact OD1-CD1 3.29Å; D391-L534 WeakPolarHBondContact OD1-CD1 3.41Å
392	G	98.2	Very high	96.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.9	-47.4	172.3	0	0	0	0	0	112.9	Q388 I389 F395 M396	Q388-G392 PolarHBondContact O-N 3.33Å; Q388-G392 VanDerWaalsContact O-N 3.15Å; I389-G392 PolarHBondContact O-N 3.26Å; G392-F395 PolarHBondContact O-N 3.24Å; G392-M396 WeakPolarHBondContact O-CG 3.29Å; G392-M396 PolarHBondContact O-N 3.46Å; G392-M396 VanDerWaalsContact O-N 3.14Å
393	I	98.5	Very high	96.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-43.8	177.8	-65.5	167.6	0	0	0	111.1	I389 C390 F395 M396 H397 L406 I423 D463 M464 M467 A530	I389-I393 HydrophobicContact CG2-CD1 3.76Å; I389-I393 HydrophobicContact CG2-CG1 4.37Å; I389-I393 VanDerWaalsContact O-CG1 3.29Å; I389-I393 WeakPolarHBondContact O-CG1 3.48Å; I389-I393 PolarHBondContact O-N 3.33Å; C390-I393 PolarHBondContact O-N 3.28Å; I393-F395 VanDerWaalsContact C-N 3.26Å; I393-F395 PolarHBondContact O-N 2.93Å; I393-M396 WeakPolarHBondContact O-CB 3.32Å; I393-M396 PolarHBondContact O-N 3.38Å; I393-M396 VanDerWaalsContact O-N 3.12Å; I393-H397 WeakPolarHBondContact CG2-CE1 3.49Å; I393-H397 PolarHBondContact O-N 2.86Å; I393-L406 HydrophobicContact CD1-CD1 3.52Å; I393-L406 HydrophobicContact CG1-CD1 4Å; I393-I423 HydrophobicContact CG1-CD1 4.1Å; I393-D463 HydrophobicContact CG2-CB 4.43Å; I393-M464 HydrophobicContact CG2-SD 3.8Å; I393-M467 HydrophobicContact CD1-CB 4.37Å; I393-M467 HydrophobicContact CD1-CG 4.41Å; I393-M467 HydrophobicContact CD1-SD 3.97Å; I393-A530 HydrophobicContact CB-CB 4.31Å; I393-A530 HydrophobicContact CG2-CB 3.99Å
394	L	98.4	Very high	96.8	Very high	30 Å²	30	30.1 Å²	30.1	16%	0.157	13%	0.132	C	C	.	.	H	α-helix	trans	-59.6	-38.6	177.6	178.3	58.8	0	0	0	111.5	C390 D391 K398 A530 A531 L534	C390-L394 VanDerWaalsContact O-CB 3.24Å; C390-L394 WeakPolarHBondContact O-CB 3.43Å; C390-L394 PolarHBondContact O-N 3.07Å; D391-L394 PolarHBondContact O-N 2.87Å; L394-K398 HydrophobicContact CD1-CD 4.33Å; L394-K398 HydrophobicContact CD1-CG 4.33Å; L394-K398 HydrophobicContact CG-CD 4.22Å; L394-K398 WeakPolarHBondContact O-CB 3.42Å; L394-K398 VanDerWaalsContact O-CG 3.28Å; L394-K398 WeakPolarHBondContact O-CG 3.39Å; L394-K398 PolarHBondContact O-N 2.75Å; L394-A530 HydrophobicContact CB-CB 3.82Å; L394-A530 HydrophobicContact CD1-CB 4.48Å; L394-A531 HydrophobicContact CD1-CB 3.88Å; L394-A531 HydrophobicContact CD2-CB 4.47Å; L394-L534 HydrophobicContact CB-CD1 4.17Å; L394-L534 HydrophobicContact CD2-CD1 3.61Å
395	F	98.3	Very high	96.6	Very high	53 Å²	53	30.6 Å²	30.6	23%	0.232	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-49.2	173.4	-174	-83.4	0	0	0	111.4	L336 N337 H338 L341 D391 G392 I393 H397 K398 M399	L336-F395 HydrophobicContact CD2-CD1 4.06Å; L336-F395 HydrophobicContact CD2-CE1 4.03Å; N337-F395 WeakPolarHBondContact O-CZ 3.47Å; H338-F395 HydrophobicContact CB-CB 4.27Å; H338-F395 HydrophobicContact CB-CD1 3.79Å; H338-F395 HydrophobicContact CB-CD2 4.03Å; H338-F395 HydrophobicContact CB-CE1 4.15Å; H338-F395 HydrophobicContact CB-CE2 4.35Å; H338-F395 HydrophobicContact CB-CG 3.73Å; H338-F395 HydrophobicContact CB-CZ 4.41Å; H338-F395 AromaticContact CD2-CD2 3.6Å; H338-F395 AromaticContact CD2-CG 3.84Å; H338-F395 AromaticContact CG-CD2 3.97Å; H338-F395 AromaticContact CG-CG 3.77Å; L341-F395 HydrophobicContact CD1-CD1 3.94Å; D391-F395 PolarHBondContact O-N 3.44Å; G392-F395 PolarHBondContact O-N 3.24Å; I393-F395 VanDerWaalsContact C-N 3.26Å; I393-F395 PolarHBondContact O-N 2.93Å; F395-H397 PolarHBondContact O-N 3.32Å; F395-K398 PolarHBondContact O-N 3.08Å; F395-M399 HydrophobicContact CD1-CG 4.02Å; F395-M399 HydrophobicContact CE1-CG 3.52Å; F395-M399 HydrophobicContact CZ-CG 3.92Å; F395-M399 HydrophobicContact CZ-SD 4.39Å; F395-M399 WeakPolarHBondContact O-CG 3.39Å; F395-M399 PolarHBondContact O-N 3.4Å
396	M	98	Very high	96.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-57.2	-46.9	177.1	-66.5	179.4	67.3	0	0	111.9	L336 L341 G392 I393 K398 M399 R400 V401 H403 F426	L336-M396 HydrophobicContact CD1-CE 4.21Å; L336-M396 HydrophobicContact CD1-CG 4.23Å; L336-M396 HydrophobicContact CD2-CB 4.45Å; L336-M396 HydrophobicContact CD2-CG 3.9Å; L341-M396 HydrophobicContact CD1-CG 3.76Å; L341-M396 HydrophobicContact CD1-SD 4.48Å; L341-M396 HydrophobicContact CD2-CG 4.2Å; L341-M396 HydrophobicContact CD2-SD 3.97Å; G392-M396 WeakPolarHBondContact O-CG 3.29Å; G392-M396 PolarHBondContact O-N 3.46Å; G392-M396 VanDerWaalsContact O-N 3.14Å; I393-M396 WeakPolarHBondContact O-CB 3.32Å; I393-M396 PolarHBondContact O-N 3.38Å; I393-M396 VanDerWaalsContact O-N 3.12Å; M396-K398 PolarHBondContact O-N 3.3Å; M396-M399 CarbonylContact O-C 3.6Å; M396-M399 WeakPolarHBondContact O-CA 3.14Å; M396-M399 PolarHBondContact O-N 2.76Å; M396-M399 VanDerWaalsContact O-N 3.11Å; M396-R400 PolarHBondContact O-N 3.04Å; M396-R400 VanDerWaalsContact O-N 3.11Å; M396-V401 CarbonylContact C-O 3.56Å; M396-V401 HydrophobicContact CB-CB 4.37Å; M396-V401 HydrophobicContact CE-CB 4.43Å; M396-V401 HydrophobicContact CE-CG1 3.66Å; M396-V401 PolarHBondContact O-N 2.73Å; M396-H403 HydrophobicContact CE-CB 3.7Å; M396-H403 HydrophobicContact SD-CB 4.29Å; M396-F426 HydrophobicContact CE-CD1 3.99Å; M396-F426 HydrophobicContact CE-CE1 3.72Å; M396-F426 HydrophobicContact SD-CE1 3.85Å
397	H	97.4	Very high	96.3	Very high	21 Å²	21	31.7 Å²	31.7	10%	0.097	14%	0.14	C	C	.	.	H	α-helix	trans	-65.1	-37.7	-179.5	-67.4	174.1	0	0	0	112.7	I393 F395 M399 R400 V401 D460 D463	I393-H397 WeakPolarHBondContact CG2-CE1 3.49Å; I393-H397 PolarHBondContact O-N 2.86Å; F395-H397 PolarHBondContact O-N 3.32Å; H397-M399 VanDerWaalsContact C-N 3.35Å; H397-R400 PolarHBondContact O-N 2.65Å; H397-R400 VanDerWaalsContact O-N 3.08Å; H397-V401 PolarHBondContact CD2-O 2.94Å; H397-D460 HydrophobicContact CB-CB 4.41Å; H397-D460 PolarHBondContact CE1-O 3.23Å; H397-D460 PolarHBondContact NE2-O 3.34Å; H397-D463 IonicContact CD2-OD2 3.89Å; H397-D463 IonicContact CE1-OD2 3.75Å; H397-D463 IonicContact NE2-OD2 2.75Å; H397-D463 PolarHBondContact NE2-OD2 2.79Å
398	K	97.1	Very high	96	Very high	149 Å²	149	28.8 Å²	28.8	65%	0.648	13%	0.129	S	C	*	.	H	α-helix	trans	-61.8	-41.5	170.6	-77.2	170.6	177.8	172.5	0	111.8	L394 F395 M396 R400	L394-K398 HydrophobicContact CD1-CD 4.33Å; L394-K398 HydrophobicContact CD1-CG 4.33Å; L394-K398 HydrophobicContact CG-CD 4.22Å; L394-K398 WeakPolarHBondContact O-CB 3.42Å; L394-K398 VanDerWaalsContact O-CG 3.28Å; L394-K398 WeakPolarHBondContact O-CG 3.39Å; L394-K398 PolarHBondContact O-N 2.75Å; F395-K398 PolarHBondContact O-N 3.08Å; M396-K398 PolarHBondContact O-N 3.3Å; K398-R400 PolarHBondContact O-N 3.3Å
399	M	96.9	Very high	95.6	Very high	76 Å²	76	29.9 Å²	29.9	37%	0.374	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	6.7	173.5	-63.9	-54.6	-66.4	0	0	113.9	Q335 L336 F395 M396 H397 V401	Q335-M399 HydrophobicContact CB-CE 4.36Å; L336-M399 HydrophobicContact CD2-CB 4.36Å; F395-M399 HydrophobicContact CD1-CG 4.02Å; F395-M399 HydrophobicContact CE1-CG 3.52Å; F395-M399 HydrophobicContact CZ-CG 3.92Å; F395-M399 HydrophobicContact CZ-SD 4.39Å; F395-M399 WeakPolarHBondContact O-CG 3.39Å; F395-M399 PolarHBondContact O-N 3.4Å; M396-M399 CarbonylContact O-C 3.6Å; M396-M399 WeakPolarHBondContact O-CA 3.14Å; M396-M399 PolarHBondContact O-N 2.76Å; M396-M399 VanDerWaalsContact O-N 3.11Å; H397-M399 VanDerWaalsContact C-N 3.35Å; M399-V401 VanDerWaalsContact C-N 3.27Å; M399-V401 PolarHBondContact O-N 3.38Å
400	R	95	Very high	95.4	Very high	161 Å²	161	30.1 Å²	30.1	61%	0.608	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	38	-176.5	-56.6	-60.2	-166.6	170.9	3.3	113.2	M396 H397 K398 R431 Y432	M396-R400 PolarHBondContact O-N 3.04Å; M396-R400 VanDerWaalsContact O-N 3.11Å; H397-R400 PolarHBondContact O-N 2.65Å; H397-R400 VanDerWaalsContact O-N 3.08Å; K398-R400 PolarHBondContact O-N 3.3Å; R400-R431 CarbonylContact O-C 3.47Å; R400-R431 VanDerWaalsContact O-CA 3.23Å; R400-R431 WeakPolarHBondContact O-CA 3.3Å; R400-Y432 PolarHBondContact O-N 3.33Å
401	V	95.8	Very high	95.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.4	171	178.9	0	0	0	0	109.4	V332 L336 M396 H397 M399 A429 R430	V332-V401 HydrophobicContact CG1-CG1 3.69Å; V332-V401 HydrophobicContact CG1-CG2 4.45Å; L336-V401 HydrophobicContact CD1-CG1 4.44Å; L336-V401 HydrophobicContact CD2-CG2 4.38Å; M396-V401 CarbonylContact C-O 3.56Å; M396-V401 HydrophobicContact CB-CB 4.37Å; M396-V401 HydrophobicContact CE-CB 4.43Å; M396-V401 HydrophobicContact CE-CG1 3.66Å; M396-V401 PolarHBondContact O-N 2.73Å; H397-V401 PolarHBondContact CD2-O 2.94Å; M399-V401 VanDerWaalsContact C-N 3.27Å; M399-V401 PolarHBondContact O-N 3.38Å; V401-A429 HydrophobicContact CG1-CB 4.37Å; V401-R430 WeakPolarHBondContact CA-O 3.27Å
402	L	95.1	Very high	95.2	Very high	3 Å²	3	29 Å²	29	2%	0.016	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	144.5	167.2	-54.1	-174.8	0	0	0	109.9	L404 A429 R430 Y432 I458 D460 D463	L402-L404 HydrophobicContact CB-CD1 4.31Å; L402-L404 HydrophobicContact CB-CD2 3.73Å; L402-L404 HydrophobicContact CB-CG 3.8Å; L402-L404 HydrophobicContact CD1-CD2 4.03Å; L402-A429 WeakPolarHBondContact O-CA 3.29Å; L402-A429 VanDerWaalsContact O-CB 3.28Å; L402-A429 WeakPolarHBondContact O-CB 3.26Å; L402-R430 PolarHBondContact N-O 3.18Å; L402-R430 PolarHBondContact O-N 2.94Å; L402-R430 VanDerWaalsContact O-N 3.11Å; L402-Y432 HydrophobicContact CD1-CD2 3.77Å; L402-Y432 HydrophobicContact CD1-CG 4.43Å; L402-Y432 HydrophobicContact CG-CD2 4.31Å; L402-Y432 HydrophobicContact CG-CG 4.5Å; L402-I458 HydrophobicContact CD1-CD1 3.94Å; L402-I458 HydrophobicContact CD1-CG1 4.16Å; L402-D460 HydrophobicContact CD2-CB 4.44Å; L402-D463 WeakPolarHBondContact CA-OD2 3.14Å
403	H	95.3	Very high	95	Very high	1 Å²	1	29 Å²	29	1%	0.005	13%	0.129	C	C	.	.			trans	-84.1	-46.3	-178.8	-169.3	-75.4	0	0	0	112.4	M396 D405 L406 I423 D425 F426 D463	M396-H403 HydrophobicContact CE-CB 3.7Å; M396-H403 HydrophobicContact SD-CB 4.29Å; H403-D405 PolarHBondContact CE1-O 3.22Å; H403-D405 VanDerWaalsContact ND1-C 3.27Å; H403-D405 PolarHBondContact ND1-N 2.82Å; H403-D405 PolarHBondContact O-N 3.06Å; H403-L406 HydrophobicContact CB-CD1 4.38Å; H403-L406 HydrophobicContact CB-CD2 4.24Å; H403-L406 HydrophobicContact CB-CG 3.89Å; H403-L406 PolarHBondContact ND1-N 3.38Å; H403-I423 WeakPolarHBondContact NE2-CG2 3.37Å; H403-D425 PolarHBondContact CE1-O 3.45Å; H403-D425 VanDerWaalsContact CE1-O 3.28Å; H403-D425 PolarHBondContact NE2-O 2.95Å; H403-F426 AromaticContact CD2-CD1 3.97Å; H403-F426 AromaticContact CD2-CE1 3.87Å; H403-D463 PolarHBondContact N-OD1 3.16Å; H403-D463 VanDerWaalsContact N-OD1 3.16Å; H403-D463 PolarHBondContact N-OD2 3.32Å
404	L	92.6	Very high	94.7	Very high	13 Å²	13	29.8 Å²	29.8	7%	0.068	13%	0.134	C	C	.	.			trans	61.7	-7.7	174.7	-50.5	-179.8	0	0	0	117.3	L402 R430 V440 I458 T462 D463	L402-L404 HydrophobicContact CB-CD1 4.31Å; L402-L404 HydrophobicContact CB-CD2 3.73Å; L402-L404 HydrophobicContact CB-CG 3.8Å; L402-L404 HydrophobicContact CD1-CD2 4.03Å; L404-R430 HydrophobicContact CD1-CG 3.96Å; L404-V440 HydrophobicContact CD1-CG2 4.27Å; L404-I458 HydrophobicContact CD1-CD1 3.75Å; L404-I458 HydrophobicContact CD2-CD1 3.88Å; L404-I458 HydrophobicContact CG-CD1 4.5Å; L404-T462 HydrophobicContact CD2-CG2 3.83Å; L404-D463 PolarHBondContact N-OD1 3.19Å
405	D	91.9	Very high	94.2	Very high	12 Å²	12	32.2 Å²	32.2	6%	0.064	15%	0.147	C	C	.	.			trans	-127.9	40.5	172.8	-162.2	32.2	0	0	0	112	H403 K407 N410 L428	H403-D405 PolarHBondContact CE1-O 3.22Å; H403-D405 VanDerWaalsContact ND1-C 3.27Å; H403-D405 PolarHBondContact ND1-N 2.82Å; H403-D405 PolarHBondContact O-N 3.06Å; D405-K407 PolarHBondContact O-N 2.85Å; D405-K407 IonicContact OD1-NZ 2.91Å; D405-K407 PolarHBondContact OD1-NZ 3.32Å; D405-K407 IonicContact OD2-NZ 3.47Å; D405-K407 PolarHBondContact OD2-NZ 2.77Å; D405-N410 PolarHBondContact O-ND2 3.36Å; D405-N410 PolarHBondContact OD2-ND2 2.98Å; D405-L428 HydrophobicContact CB-CB 4.21Å; D405-L428 HydrophobicContact CB-CD1 4.06Å; D405-L428 HydrophobicContact CB-CG 4.44Å
406	L	94.3	Very high	93.5	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.016	16%	0.164	C	C	.	.			trans	-73.4	121	176.1	-77.4	175.6	0	0	0	110.4	I393 H403 I423 D463 S466 I470	I393-L406 HydrophobicContact CD1-CD1 3.52Å; I393-L406 HydrophobicContact CG1-CD1 4Å; H403-L406 HydrophobicContact CB-CD1 4.38Å; H403-L406 HydrophobicContact CB-CD2 4.24Å; H403-L406 HydrophobicContact CB-CG 3.89Å; H403-L406 PolarHBondContact ND1-N 3.38Å; L406-I423 HydrophobicContact CD2-CD1 4.3Å; L406-I423 HydrophobicContact CD2-CG2 4.21Å; L406-D463 HydrophobicContact CD1-CB 3.74Å; L406-S466 WeakPolarHBondContact O-CB 3.42Å; L406-I470 HydrophobicContact CB-CD1 4.37Å
407	K	91.9	Very high	92.6	Very high	19 Å²	19	39.9 Å²	39.9	8%	0.083	20%	0.199	C	C	.	.	S	Bend	trans	-165.6	166.4	-177.7	64.4	-172	177.2	-145.3	0	109.8	D405 E409 N410 F447	D405-K407 PolarHBondContact O-N 2.85Å; D405-K407 IonicContact OD1-NZ 2.91Å; D405-K407 PolarHBondContact OD1-NZ 3.32Å; D405-K407 IonicContact OD2-NZ 3.47Å; D405-K407 PolarHBondContact OD2-NZ 2.77Å; K407-E409 VanDerWaalsContact C-N 3.29Å; K407-E409 HydrophobicContact CD-CB 4.27Å; K407-E409 HydrophobicContact CD-CG 4.43Å; K407-E409 WeakPolarHBondContact CD-OE2 3.13Å; K407-E409 HydrophobicContact CG-CB 4.04Å; K407-E409 WeakPolarHBondContact CG-OE2 3.32Å; K407-E409 PolarHBondContact O-N 3.02Å; K407-N410 WeakPolarHBondContact CE-ND2 3.43Å; K407-N410 WeakPolarHBondContact CE-OD1 3.21Å; K407-N410 HydrophobicContact CG-CB 4.38Å; K407-N410 PolarHBondContact O-N 3.48Å; K407-F447 HydrophobicContact CB-CB 4.5Å; K407-F447 HydrophobicContact CB-CD1 4.27Å; K407-F447 HydrophobicContact CB-CD2 3.88Å; K407-F447 HydrophobicContact CB-CE2 4.18Å; K407-F447 HydrophobicContact CB-CG 3.94Å
408	P	90.8	Very high	92	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-52.6	-36	-179.8	-33.2	40.3	0	0	0	116.2	F367 N410 F447	F367-P408 HydrophobicContact CB-CB 4.06Å; F367-P408 HydrophobicContact CD1-CB 3.56Å; F367-P408 HydrophobicContact CD1-CG 3.48Å; F367-P408 VanDerWaalsContact CD1-CG 3.48Å; F367-P408 HydrophobicContact CD2-CB 3.91Å; F367-P408 HydrophobicContact CD2-CG 4.24Å; F367-P408 HydrophobicContact CE1-CB 3.95Å; F367-P408 HydrophobicContact CE1-CG 3.35Å; F367-P408 HydrophobicContact CE2-CB 4.26Å; F367-P408 HydrophobicContact CE2-CG 4.12Å; F367-P408 HydrophobicContact CG-CB 3.57Å; F367-P408 HydrophobicContact CG-CG 3.97Å; F367-P408 HydrophobicContact CZ-CB 4.3Å; F367-P408 HydrophobicContact CZ-CG 3.71Å; P408-N410 PolarHBondContact O-N 3.22Å; P408-F447 VanDerWaalsContact CD-CE1 3.42Å; P408-F447 HydrophobicContact CG-CE1 4.07Å; P408-F447 HydrophobicContact CG-CZ 3.77Å
409	E	88.8	Confident	91.6	Very high	29 Å²	29	34.1 Å²	34.1	14%	0.136	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-53.4	-39.8	174	-77.1	77.7	-179.6	0	0	113.1	K407 I411 R566 K570	K407-E409 VanDerWaalsContact C-N 3.29Å; K407-E409 HydrophobicContact CD-CB 4.27Å; K407-E409 HydrophobicContact CD-CG 4.43Å; K407-E409 WeakPolarHBondContact CD-OE2 3.13Å; K407-E409 HydrophobicContact CG-CB 4.04Å; K407-E409 WeakPolarHBondContact CG-OE2 3.32Å; K407-E409 PolarHBondContact O-N 3.02Å; E409-I411 VanDerWaalsContact C-N 3.28Å; E409-I411 PolarHBondContact O-N 3.25Å; E409-R566 IonicContact OE1-CZ 3.55Å; E409-R566 IonicContact OE1-NE 3.4Å; E409-R566 PolarHBondContact OE1-NE 2.78Å; E409-R566 IonicContact OE1-NH2 3.32Å; E409-R566 PolarHBondContact OE1-NH2 3.07Å; E409-R566 IonicContact OE2-NE 2.77Å; E409-R566 IonicContact OE2-NH2 3.74Å; E409-K570 IonicContact OE1-NZ 3.87Å; E409-K570 PolarHBondContact OE1-NZ 3.17Å
410	N	93.7	Very high	91.4	Very high	7 Å²	7	31.3 Å²	31.3	4%	0.037	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-94.6	12	-162.4	-67.5	-0.3	0	0	0	111.7	D405 K407 P408 I423 I424	D405-N410 PolarHBondContact O-ND2 3.36Å; D405-N410 PolarHBondContact OD2-ND2 2.98Å; K407-N410 WeakPolarHBondContact CE-ND2 3.43Å; K407-N410 WeakPolarHBondContact CE-OD1 3.21Å; K407-N410 HydrophobicContact CG-CB 4.38Å; K407-N410 PolarHBondContact O-N 3.48Å; P408-N410 PolarHBondContact O-N 3.22Å; N410-I423 CarbonylContact O-C 3.52Å; N410-I423 VanDerWaalsContact O-CA 3.32Å; N410-I423 WeakPolarHBondContact O-CA 3.25Å; N410-I424 WeakPolarHBondContact O-CG1 3.11Å; N410-I424 PolarHBondContact O-N 3.32Å
411	I	96.3	Very high	91.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	107.5	176.9	-56.8	161.8	0	0	0	108.4	L366 I389 E409 V421 K422 I470	L366-I411 HydrophobicContact CB-CB 4.44Å; L366-I411 HydrophobicContact CB-CG2 4.01Å; L366-I411 WeakPolarHBondContact CB-O 3.42Å; L366-I411 HydrophobicContact CD2-CG2 3.81Å; L366-I411 PolarHBondContact N-O 3.39Å; I389-I411 HydrophobicContact CD1-CD1 3.84Å; I389-I411 HydrophobicContact CD1-CG2 4.23Å; I389-I411 HydrophobicContact CG1-CD1 4.34Å; I389-I411 HydrophobicContact CG1-CG2 4.29Å; E409-I411 VanDerWaalsContact C-N 3.28Å; E409-I411 PolarHBondContact O-N 3.25Å; I411-V421 HydrophobicContact CG2-CB 4.07Å; I411-V421 HydrophobicContact CG2-CG1 4.32Å; I411-K422 WeakPolarHBondContact CA-O 3.34Å; I411-I470 HydrophobicContact CD1-CD1 4.02Å; I411-I470 HydrophobicContact CD1-CG2 4.32Å
412	L	95	Very high	91.5	Very high	30 Å²	30	23.8 Å²	23.8	16%	0.157	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	152	175.1	-58.6	-169.1	0	0	0	111.5	I361 G364 E365 V421 K422 I424	I361-L412 HydrophobicContact CB-CD1 4.05Å; I361-L412 HydrophobicContact CD1-CD1 4.48Å; I361-L412 HydrophobicContact CG2-CB 3.73Å; I361-L412 HydrophobicContact CG2-CD1 3.97Å; G364-L412 CarbonylContact O-C 3.54Å; G364-L412 VanDerWaalsContact O-CA 3.24Å; G364-L412 WeakPolarHBondContact O-CA 3.19Å; E365-L412 HydrophobicContact CG-CD2 4.2Å; L412-V421 CarbonylContact O-C 3.55Å; L412-V421 VanDerWaalsContact O-CA 3.3Å; L412-V421 WeakPolarHBondContact O-CA 3.14Å; L412-K422 PolarHBondContact N-O 3.18Å; L412-K422 PolarHBondContact O-N 2.79Å; L412-I424 HydrophobicContact CB-CG2 3.98Å; L412-I424 HydrophobicContact CD1-CD1 3.91Å; L412-I424 HydrophobicContact CD1-CG1 4.44Å; L412-I424 HydrophobicContact CD1-CG2 4Å; L412-I424 HydrophobicContact CD2-CD1 4.08Å; L412-I424 HydrophobicContact CG-CB 4.34Å; L412-I424 HydrophobicContact CG-CD1 3.75Å; L412-I424 HydrophobicContact CG-CG1 3.93Å; L412-I424 HydrophobicContact CG-CG2 3.69Å
413	C	94.3	Very high	91.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	140.9	168.6	-58	0	0	0	0	110.1	I361 G363 G364 L366 R369 L420	I361-C413 WeakPolarHBondContact CG2-O 3.49Å; G363-C413 CarbonylContact C-O 3.59Å; G363-C413 WeakPolarHBondContact CA-O 3.18Å; G363-C413 PolarHBondContact N-O 3.3Å; G364-C413 PolarHBondContact O-N 3.17Å; L366-C413 VanDerWaalsContact CA-SG 3.56Å; R369-C413 PolarHBondContact NE-SG 3.01Å; R369-C413 PolarHBondContact NH2-SG 2.86Å; C413-L420 CarbonylContact C-O 3.57Å; C413-L420 VanDerWaalsContact CA-O 3.29Å; C413-L420 WeakPolarHBondContact CA-O 3.49Å
414	V	92	Very high	91.6	Very high	18 Å²	18	25.3 Å²	25.3	11%	0.109	14%	0.143	C	C	.	.	S	Bend	trans	-66.2	-46.3	-178.7	-172.5	0	0	0	0	110.5	P261 P262 E362 G363 L420 K422	P261-V414 HydrophobicContact CB-CG2 3.99Å; P262-V414 HydrophobicContact CG-CG1 4.03Å; E362-V414 PolarHBondContact N-O 3.18Å; G363-V414 PolarHBondContact N-O 3.29Å; V414-L420 HydrophobicContact CB-CB 4.06Å; V414-L420 HydrophobicContact CG2-CB 3.82Å; V414-L420 PolarHBondContact N-O 3.26Å; V414-K422 HydrophobicContact CG2-CD 4.32Å; V414-K422 HydrophobicContact CG2-CG 3.95Å
415	N	87.5	Confident	91.5	Very high	81 Å²	81	25.7 Å²	25.7	43%	0.433	15%	0.145	S	C	.	.	S	Bend	trans	-120.9	156.1	-179.2	-64.1	59.8	0	0	0	110	G363 T417	G363-N415 VanDerWaalsContact CA-C 3.48Å; N415-T417 VanDerWaalsContact C-N 3.29Å; N415-T417 PolarHBondContact O-N 3.34Å
416	T	83.6	Confident	91.6	Very high	95 Å²	95	25.1 Å²	25.1	58%	0.583	14%	0.142	S	C	*	.	S	Bend	trans	-68.2	-24.7	177	48.4	0	0	0	0	113.9	R369	R369-T416 WeakPolarHBondContact CD-O 3.38Å
417	T	79.6	Confident	91.3	Very high	120 Å²	120	25.3 Å²	25.3	74%	0.736	15%	0.145	S	C	*	.	S	Bend	trans	-112.4	-2.5	-175.6	56.4	0	0	0	0	114.4	N415	N415-T417 VanDerWaalsContact C-N 3.29Å; N415-T417 PolarHBondContact O-N 3.34Å
418	G	83.6	Confident	91.2	Very high	12 Å²	12	24.7 Å²	24.7	12%	0.124	14%	0.142	C	C	.	.	S	Bend	trans	-104.9	164.4	-173.7	0	0	0	0	0	113.5	L420	G418-L420 VanDerWaalsContact C-N 3.35Å
419	H	89	Confident	91.2	Very high	37 Å²	37	25 Å²	25	17%	0.171	15%	0.145	C	C	.	.			trans	-92.3	1.4	179.5	-52	-102.1	0	0	0	112.9	D257 Y375 D381 V384 F385 Q388	D257-H419 HydrophobicContact CB-CB 4.24Å; Y375-H419 PolarHBondContact OH-CE1 2.71Å; Y375-H419 VanDerWaalsContact OH-CE1 3.25Å; Y375-H419 PolarHBondContact OH-ND1 2.87Å; D381-H419 IonicContact OD1-CE1 3.22Å; D381-H419 PolarHBondContact OD1-CE1 3.18Å; D381-H419 IonicContact OD1-ND1 2.82Å; D381-H419 PolarHBondContact OD1-ND1 3.4Å; V384-H419 HydrophobicContact CG1-CB 3.71Å; F385-H419 WeakPolarHBondContact CD1-O 3.39Å; F385-H419 HydrophobicContact CE1-CB 3.89Å; F385-H419 VanDerWaalsContact CE1-O 3.26Å; F385-H419 WeakPolarHBondContact CE1-O 3.38Å; F385-H419 HydrophobicContact CZ-CB 4.34Å; Q388-H419 PolarHBondContact NE2-O 3.33Å
420	L	93.4	Very high	91.3	Very high	17 Å²	17	26 Å²	26	9%	0.089	15%	0.147	C	C	.	.			trans	-74.4	130.6	-176.9	-62.3	176.2	0	0	0	112.5	D257 C259 P261 C413 V414 G418	D257-L420 HydrophobicContact CB-CD2 4.4Å; D257-L420 VanDerWaalsContact OD2-CG 3.25Å; D257-L420 WeakPolarHBondContact OD2-CG 3.42Å; C259-L420 WeakPolarHBondContact O-CD2 3.44Å; P261-L420 HydrophobicContact CB-CB 4.23Å; P261-L420 HydrophobicContact CB-CD1 4.46Å; P261-L420 HydrophobicContact CB-CD2 4.31Å; C413-L420 CarbonylContact C-O 3.57Å; C413-L420 VanDerWaalsContact CA-O 3.29Å; C413-L420 WeakPolarHBondContact CA-O 3.49Å; V414-L420 HydrophobicContact CB-CB 4.06Å; V414-L420 HydrophobicContact CG2-CB 3.82Å; V414-L420 PolarHBondContact N-O 3.26Å; G418-L420 VanDerWaalsContact C-N 3.35Å
421	V	95.9	Very high	91.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.3	-176.7	-67.2	0	0	0	0	114.1	N340 L366 F385 Q388 I389 I411 L412	N340-V421 PolarHBondContact ND2-O 3.43Å; L366-V421 HydrophobicContact CD1-CG1 4.08Å; L366-V421 HydrophobicContact CD2-CG1 4.38Å; F385-V421 HydrophobicContact CD1-CG1 3.78Å; F385-V421 HydrophobicContact CE1-CG1 4.3Å; Q388-V421 HydrophobicContact CB-CG2 3.59Å; Q388-V421 HydrophobicContact CG-CG2 4.41Å; I389-V421 HydrophobicContact CG1-CG2 4.09Å; I411-V421 HydrophobicContact CG2-CB 4.07Å; I411-V421 HydrophobicContact CG2-CG1 4.32Å; L412-V421 CarbonylContact O-C 3.55Å; L412-V421 VanDerWaalsContact O-CA 3.3Å; L412-V421 WeakPolarHBondContact O-CA 3.14Å
422	K	97.1	Very high	90.7	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.2	173.3	-58.2	-166.6	179.6	-160.5	0	111.7	P262 R339 N340 E359 I361 I411 L412 V414	P262-K422 PolarHBondContact O-NZ 3.12Å; R339-K422 WeakPolarHBondContact O-CD 3.34Å; R339-K422 WeakPolarHBondContact O-CE 3.24Å; R339-K422 PolarHBondContact O-NZ 3.25Å; N340-K422 CarbonylContact O-C 3.59Å; N340-K422 VanDerWaalsContact O-CA 3.3Å; N340-K422 WeakPolarHBondContact O-CA 3.36Å; E359-K422 VanDerWaalsContact CD-NZ 3.33Å; E359-K422 IonicContact OE1-NZ 2.84Å; E359-K422 PolarHBondContact OE1-NZ 3.29Å; E359-K422 IonicContact OE2-NZ 3.71Å; E359-K422 PolarHBondContact OE2-NZ 2.76Å; I361-K422 HydrophobicContact CD1-CB 4.08Å; I361-K422 HydrophobicContact CD1-CD 4.09Å; I411-K422 WeakPolarHBondContact CA-O 3.34Å; L412-K422 PolarHBondContact N-O 3.18Å; L412-K422 PolarHBondContact O-N 2.79Å; V414-K422 HydrophobicContact CG2-CD 4.32Å; V414-K422 HydrophobicContact CG2-CG 3.95Å
423	I	97.7	Very high	90.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.6	171.9	-53.8	174.6	0	0	0	108.8	N340 L341 I342 I389 I393 H403 L406 N410	N340-I423 PolarHBondContact O-N 3.02Å; L341-I423 HydrophobicContact CD2-CB 3.94Å; L341-I423 HydrophobicContact CD2-CD1 3.95Å; L341-I423 HydrophobicContact CD2-CG1 4.29Å; I342-I423 PolarHBondContact N-O 2.97Å; I389-I423 HydrophobicContact CG2-CD1 4.19Å; I393-I423 HydrophobicContact CG1-CD1 4.1Å; H403-I423 WeakPolarHBondContact NE2-CG2 3.37Å; L406-I423 HydrophobicContact CD2-CD1 4.3Å; L406-I423 HydrophobicContact CD2-CG2 4.21Å; N410-I423 CarbonylContact O-C 3.52Å; N410-I423 VanDerWaalsContact O-CA 3.32Å; N410-I423 WeakPolarHBondContact O-CA 3.25Å
424	I	93.9	Very high	89.2	Confident	35 Å²	35	37.6 Å²	37.6	18%	0.179	20%	0.2	C	C	.	.			trans	-128.9	-8.3	-158.2	67.4	132.1	0	0	0	119.6	I342 I361 N410 L412	I342-I424 HydrophobicContact CB-CB 4.45Å; I342-I424 HydrophobicContact CB-CG2 4.27Å; I342-I424 HydrophobicContact CD1-CB 4.22Å; I342-I424 HydrophobicContact CD1-CG2 4.25Å; I342-I424 HydrophobicContact CG2-CB 4.39Å; I361-I424 HydrophobicContact CD1-CG2 3.75Å; N410-I424 WeakPolarHBondContact O-CG1 3.11Å; N410-I424 PolarHBondContact O-N 3.32Å; L412-I424 HydrophobicContact CB-CG2 3.98Å; L412-I424 HydrophobicContact CD1-CD1 3.91Å; L412-I424 HydrophobicContact CD1-CG1 4.44Å; L412-I424 HydrophobicContact CD1-CG2 4Å; L412-I424 HydrophobicContact CD2-CD1 4.08Å; L412-I424 HydrophobicContact CG-CB 4.34Å; L412-I424 HydrophobicContact CG-CD1 3.75Å; L412-I424 HydrophobicContact CG-CG1 3.93Å; L412-I424 HydrophobicContact CG-CG2 3.69Å
425	D	90.9	Very high	88.3	Confident	22 Å²	22	43.7 Å²	43.7	12%	0.118	23%	0.232	C	C	.	.			trans	-135	108.4	-178.3	-166.9	2.6	0	0	0	112.3	F295 K313 H403 G427	F295-D425 WeakPolarHBondContact CD2-OD2 3.31Å; K313-D425 IonicContact NZ-OD1 3.4Å; K313-D425 PolarHBondContact NZ-OD1 3Å; H403-D425 PolarHBondContact CE1-O 3.45Å; H403-D425 VanDerWaalsContact CE1-O 3.28Å; H403-D425 PolarHBondContact NE2-O 2.95Å; D425-G427 PolarHBondContact OD1-N 2.85Å; D425-G427 VanDerWaalsContact OD1-N 3.16Å
426	F	93.5	Very high	87.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.			trans	-98.3	11	-178	-60.5	-66.3	0	0	0	113.1	E329 V332 M333 L336 L341 I342 M396 H403 L428 A429	E329-F426 HydrophobicContact CG-CB 4.17Å; V332-F426 HydrophobicContact CG1-CB 4.4Å; M333-F426 HydrophobicContact CE-CD2 3.94Å; M333-F426 HydrophobicContact CE-CE2 4.21Å; M333-F426 HydrophobicContact CG-CB 4.3Å; M333-F426 HydrophobicContact CG-CD2 3.58Å; M333-F426 HydrophobicContact CG-CE2 4.3Å; M333-F426 HydrophobicContact CG-CG 4.26Å; M333-F426 HydrophobicContact SD-CD2 4.1Å; L336-F426 HydrophobicContact CD1-CD1 4.06Å; L336-F426 HydrophobicContact CD1-CE1 3.72Å; L336-F426 HydrophobicContact CD1-CE2 4.37Å; L336-F426 HydrophobicContact CD1-CZ 3.89Å; L341-F426 HydrophobicContact CB-CZ 4.14Å; L341-F426 HydrophobicContact CD2-CZ 4.14Å; I342-F426 HydrophobicContact CG2-CD2 4.31Å; I342-F426 HydrophobicContact CG2-CE2 3.76Å; M396-F426 HydrophobicContact CE-CD1 3.99Å; M396-F426 HydrophobicContact CE-CE1 3.72Å; M396-F426 HydrophobicContact SD-CE1 3.85Å; H403-F426 AromaticContact CD2-CD1 3.97Å; H403-F426 AromaticContact CD2-CE1 3.87Å; F426-L428 PolarHBondContact O-N 3.16Å; F426-A429 HydrophobicContact CB-CB 3.96Å; F426-A429 HydrophobicContact CD1-CB 4.06Å; F426-A429 WeakPolarHBondContact O-CB 3.41Å; F426-A429 PolarHBondContact O-N 3.35Å
427	G	88.8	Confident	86.6	Confident	7 Å²	7	47.2 Å²	47.2	7%	0.072	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-11.8	-175	0	0	0	0	0	116.9	M325 E329 D425	M325-G427 WeakPolarHBondContact CE-O 3.3Å; E329-G427 WeakPolarHBondContact OE2-CA 3.19Å; D425-G427 PolarHBondContact OD1-N 2.85Å; D425-G427 VanDerWaalsContact OD1-N 3.16Å
428	L	89	Confident	85.9	Confident	5 Å²	5	42.9 Å²	42.9	3%	0.026	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-6.7	168.2	-65	-173.8	0	0	0	113.8	F295 D405 F426 R430	F295-L428 HydrophobicContact CE1-CD2 4Å; F295-L428 HydrophobicContact CE1-CG 4.06Å; F295-L428 HydrophobicContact CZ-CD1 4.05Å; F295-L428 HydrophobicContact CZ-CD2 4.17Å; F295-L428 HydrophobicContact CZ-CG 3.77Å; D405-L428 HydrophobicContact CB-CB 4.21Å; D405-L428 HydrophobicContact CB-CD1 4.06Å; D405-L428 HydrophobicContact CB-CG 4.44Å; F426-L428 PolarHBondContact O-N 3.16Å; L428-R430 PolarHBondContact O-NE 3.38Å; L428-R430 PolarHBondContact O-NH2 3.48Å
429	A	92.4	Very high	84.8	Confident	7 Å²	7	50 Å²	50	6%	0.058	24%	0.237	C	C	.	.			trans	-68.3	153	-177.9	0	0	0	0	0	111.2	V332 V401 L402 F426	V332-A429 HydrophobicContact CG1-CB 4.16Å; V401-A429 HydrophobicContact CG1-CB 4.37Å; L402-A429 WeakPolarHBondContact O-CA 3.29Å; L402-A429 VanDerWaalsContact O-CB 3.28Å; L402-A429 WeakPolarHBondContact O-CB 3.26Å; F426-A429 HydrophobicContact CB-CB 3.96Å; F426-A429 HydrophobicContact CD1-CB 4.06Å; F426-A429 WeakPolarHBondContact O-CB 3.41Å; F426-A429 PolarHBondContact O-N 3.35Å
430	R	90.1	Very high	83.5	Confident	50 Å²	50	48.8 Å²	48.8	19%	0.189	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	160.5	-175.4	62.3	-160.8	71.9	174	7.2	111.9	V401 L402 L404 L428	V401-R430 WeakPolarHBondContact CA-O 3.27Å; L402-R430 PolarHBondContact N-O 3.18Å; L402-R430 PolarHBondContact O-N 2.94Å; L402-R430 VanDerWaalsContact O-N 3.11Å; L404-R430 HydrophobicContact CD1-CG 3.96Å; L428-R430 PolarHBondContact O-NE 3.38Å; L428-R430 PolarHBondContact O-NH2 3.48Å
431	R	90.6	Very high	81.9	Confident	117 Å²	117	52.8 Å²	52.8	44%	0.442	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	140.1	167.2	-69.2	-162.9	-171.9	104.7	-1.6	110.5	E331 Q335 R400 N433	E331-R431 IonicContact OE1-CZ 3.15Å; E331-R431 IonicContact OE1-NH1 3.4Å; E331-R431 PolarHBondContact OE1-NH1 2.91Å; E331-R431 IonicContact OE1-NH2 2.75Å; E331-R431 PolarHBondContact OE1-NH2 2.87Å; E331-R431 IonicContact OE2-NH1 2.71Å; E331-R431 PolarHBondContact OE2-NH1 3.16Å; Q335-R431 VanDerWaalsContact CD-NH2 3.29Å; Q335-R431 VanDerWaalsContact OE1-CZ 3.28Å; R400-R431 CarbonylContact O-C 3.47Å; R400-R431 VanDerWaalsContact O-CA 3.23Å; R400-R431 WeakPolarHBondContact O-CA 3.3Å; R431-N433 PolarHBondContact O-N 3.48Å
432	Y	85.9	Confident	80.2	Confident	56 Å²	56	57.1 Å²	57.1	22%	0.22	27%	0.272	C	S	.	.			trans	-76.2	110.3	174.5	177.6	-125.4	0	0	0	110.3	R400 L402 P434 I458	R400-Y432 PolarHBondContact O-N 3.33Å; L402-Y432 HydrophobicContact CD1-CD2 3.77Å; L402-Y432 HydrophobicContact CD1-CG 4.43Å; L402-Y432 HydrophobicContact CG-CD2 4.31Å; L402-Y432 HydrophobicContact CG-CG 4.5Å; Y432-P434 HydrophobicContact CE1-CB 4.21Å; Y432-I458 WeakPolarHBondContact CE2-O 3.41Å
433	N	82.5	Confident	78.6	Confident	51 Å²	51	58.3 Å²	58.3	27%	0.273	29%	0.285	S	S	.	.			trans	-109.1	111.8	164.3	-172.9	-4.8	0	0	0	109.2	R431 N435 E436	R431-N433 PolarHBondContact O-N 3.48Å; N433-N435 PolarHBondContact O-N 2.88Å; N433-N435 VanDerWaalsContact O-N 3.13Å; N433-N435 WeakPolarHBondContact OD1-CB 3.09Å; N433-N435 PolarHBondContact OD1-N 2.87Å; N433-N435 PolarHBondContact OD1-ND2 3.05Å; N433-E436 HydrophobicContact CB-CB 4.3Å; N433-E436 HydrophobicContact CB-CG 4.16Å; N433-E436 PolarHBondContact ND2-OE1 3Å; N433-E436 PolarHBondContact O-N 3.33Å
434	P	75.8	Confident	77.6	Confident	57 Å²	57	60.1 Å²	60.1	37%	0.37	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.9	178.6	26	-34.7	0	0	0	113.2	Y432 Q457	Y432-P434 HydrophobicContact CE1-CB 4.21Å; P434-Q457 PolarHBondContact O-NE2 3.2Å
435	N	74.4	Confident	77.1	Confident	145 Å²	145	59.3 Å²	59.3	78%	0.775	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.3	-178.7	-52.8	-72.5	0	0	0	113.5	N433	N433-N435 PolarHBondContact O-N 2.88Å; N433-N435 VanDerWaalsContact O-N 3.13Å; N433-N435 WeakPolarHBondContact OD1-CB 3.09Å; N433-N435 PolarHBondContact OD1-N 2.87Å; N433-N435 PolarHBondContact OD1-ND2 3.05Å
436	E	69.3	Low	77	Confident	101 Å²	101	58.7 Å²	58.7	47%	0.472	29%	0.29	S	S	.	.			trans	-104.9	121.8	-177	-74.5	173.8	-139.2	0	0	112.1	N433 L438	N433-E436 HydrophobicContact CB-CB 4.3Å; N433-E436 HydrophobicContact CB-CG 4.16Å; N433-E436 PolarHBondContact ND2-OE1 3Å; N433-E436 PolarHBondContact O-N 3.33Å; E436-L438 VanDerWaalsContact C-N 3.34Å; E436-L438 HydrophobicContact CB-CD1 4.43Å; E436-L438 HydrophobicContact CB-CD2 4.18Å; E436-L438 HydrophobicContact CB-CG 3.94Å; E436-L438 PolarHBondContact O-N 2.62Å
437	K	66.3	Low	77	Confident	149 Å²	149	59 Å²	59	65%	0.648	29%	0.291	S	S	*	.			trans	-75.9	88.2	165.1	-77.2	-152.7	168.3	-150.8	0	110	K439	K437-K439 PolarHBondContact O-N 2.89Å
438	L	64	Low	77.2	Confident	30 Å²	30	59.3 Å²	59.3	16%	0.157	29%	0.291	C	S	.	.			trans	-76.7	105.1	-173.5	-70.9	159.3	0	0	0	111.5	E436 V440 I458	E436-L438 VanDerWaalsContact C-N 3.34Å; E436-L438 HydrophobicContact CB-CD1 4.43Å; E436-L438 HydrophobicContact CB-CD2 4.18Å; E436-L438 HydrophobicContact CB-CG 3.94Å; E436-L438 PolarHBondContact O-N 2.62Å; L438-V440 PolarHBondContact O-N 3.32Å; L438-I458 HydrophobicContact CB-CD1 3.83Å; L438-I458 HydrophobicContact CB-CG1 4.37Å; L438-I458 HydrophobicContact CD1-CD1 3.75Å; L438-I458 HydrophobicContact CD1-CG1 4.19Å; L438-I458 HydrophobicContact CG-CD1 4.43Å
439	K	61.3	Low	77.4	Confident	162 Å²	162	59.1 Å²	59.1	70%	0.704	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-66.9	117.5	166.5	-65.6	-165.8	174.6	-172.5	0	109.2	K437 Y455	K437-K439 PolarHBondContact O-N 2.89Å; K439-Y455 HydrophobicContact CD-CD1 4.45Å; K439-Y455 HydrophobicContact CD-CE1 4.41Å; K439-Y455 HydrophobicContact CG-CD1 4.04Å; K439-Y455 HydrophobicContact CG-CE1 4.33Å
440	V	60.3	Low	77.5	Confident	11 Å²	11	59 Å²	59	7%	0.067	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-91.6	134.6	172.6	-173.7	0	0	0	0	108.1	L404 L438 F442 V452	L404-V440 HydrophobicContact CD1-CG2 4.27Å; L438-V440 PolarHBondContact O-N 3.32Å; V440-F442 PolarHBondContact O-N 2.85Å; V440-V452 HydrophobicContact CB-CG1 4.02Å; V440-V452 HydrophobicContact CG2-CG1 4.23Å; V440-V452 HydrophobicContact CG2-CG2 4.43Å
441	N	59.3	Low	77.7	Confident	100 Å²	100	56.9 Å²	56.9	54%	0.535	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-70.2	121.4	170.9	-73.3	-44.7	0	0	0	108.3	G443	N441-G443 PolarHBondContact O-N 3.47Å
442	F	61.5	Low	77.7	Confident	92 Å²	92	52 Å²	52	40%	0.404	26%	0.264	S	S	.	.			trans	-45.3	123.8	-180	-65.8	-80.1	0	0	0	112.1	K294 V440 L448 Y455	K294-F442 PolarHBondContact NZ-O 3.39Å; V440-F442 PolarHBondContact O-N 2.85Å; F442-L448 HydrophobicContact CD1-CD1 3.75Å; F442-L448 HydrophobicContact CE1-CD1 4.47Å; F442-Y455 WeakPolarHBondContact CE2-OH 3.28Å; F442-Y455 AromaticContact CZ-CZ 3.98Å; F442-Y455 WeakPolarHBondContact CZ-OH 3.49Å
443	G	62.6	Low	77.9	Confident	27 Å²	27	50.2 Å²	50.2	28%	0.278	26%	0.259	S	S	.	.			trans	-93.3	-142	173.6	0	0	0	0	0	110.6	N441	N441-G443 PolarHBondContact O-N 3.47Å
444	T	77.3	Confident	78.3	Confident	39 Å²	39	51.8 Å²	51.8	24%	0.239	27%	0.268	C	S	.	.			trans	-76.1	118.8	168.6	-50.1	0	0	0	0	108.4	E446 F447	T444-E446 VanDerWaalsContact C-N 3.35Å; T444-E446 HydrophobicContact CG2-CG 4.17Å; T444-E446 PolarHBondContact O-N 2.97Å; T444-F447 HydrophobicContact CG2-CD2 3.97Å; T444-F447 HydrophobicContact CG2-CE2 4.05Å; T444-F447 PolarHBondContact O-N 3.34Å
445	P	83.3	Confident	78.9	Confident	17 Å²	17	54 Å²	54	11%	0.11	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-64.9	-32.2	-161.7	21.8	-33.1	0	0	0	114.6	F447 L448 D486 T489 L490	P445-F447 PolarHBondContact O-N 2.78Å; P445-L448 WeakPolarHBondContact O-CB 3.33Å; P445-L448 PolarHBondContact O-N 3.4Å; P445-L448 VanDerWaalsContact O-N 3.16Å; P445-D486 HydrophobicContact CG-CB 4.06Å; P445-T489 HydrophobicContact CB-CG2 3.96Å; P445-T489 HydrophobicContact CG-CG2 4Å; P445-L490 HydrophobicContact CB-CD2 3.81Å; P445-L490 HydrophobicContact CB-CG 3.94Å
446	E	89.6	Confident	79.5	Confident	10 Å²	10	50.4 Å²	50.4	5%	0.047	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-64.5	-19.5	-177.6	69.7	-165.4	120.5	0	0	114.6	T444 S479 T489 Y562	T444-E446 VanDerWaalsContact C-N 3.35Å; T444-E446 HydrophobicContact CG2-CG 4.17Å; T444-E446 PolarHBondContact O-N 2.97Å; E446-S479 WeakPolarHBondContact OE2-CB 3.04Å; E446-S479 PolarHBondContact OE2-OG 3.13Å; E446-T489 HydrophobicContact CB-CG2 3.74Å; E446-Y562 VanDerWaalsContact CD-OH 3.27Å; E446-Y562 PolarHBondContact OE1-OH 2.82Å; E446-Y562 VanDerWaalsContact OE2-CE2 3.32Å; E446-Y562 WeakPolarHBondContact OE2-CE2 3.28Å; E446-Y562 PolarHBondContact OE2-OH 2.97Å
447	F	92.6	Very high	80.5	Confident	6 Å²	6	50.2 Å²	50.2	3%	0.026	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-97.8	-6.3	178.4	-59.7	-79.9	0	0	0	113.6	K407 P408 T444 P445 S466 V469 I470 M473	K407-F447 HydrophobicContact CB-CB 4.5Å; K407-F447 HydrophobicContact CB-CD1 4.27Å; K407-F447 HydrophobicContact CB-CD2 3.88Å; K407-F447 HydrophobicContact CB-CE2 4.18Å; K407-F447 HydrophobicContact CB-CG 3.94Å; P408-F447 VanDerWaalsContact CD-CE1 3.42Å; P408-F447 HydrophobicContact CG-CE1 4.07Å; P408-F447 HydrophobicContact CG-CZ 3.77Å; T444-F447 HydrophobicContact CG2-CD2 3.97Å; T444-F447 HydrophobicContact CG2-CE2 4.05Å; T444-F447 PolarHBondContact O-N 3.34Å; P445-F447 PolarHBondContact O-N 2.78Å; F447-S466 PolarHBondContact O-OG 2.67Å; F447-V469 HydrophobicContact CD1-CB 4.2Å; F447-V469 HydrophobicContact CD1-CG1 3.58Å; F447-V469 HydrophobicContact CE1-CG1 3.66Å; F447-I470 HydrophobicContact CD1-CG1 4.22Å; F447-I470 HydrophobicContact CE1-CG1 4.08Å; F447-M473 HydrophobicContact CE1-SD 3.53Å; F447-M473 VanDerWaalsContact CE1-SD 3.53Å; F447-M473 HydrophobicContact CZ-CE 4.2Å; F447-M473 HydrophobicContact CZ-SD 3.55Å; F447-M473 VanDerWaalsContact CZ-SD 3.55Å
448	L	92.6	Very high	81.6	Confident	13 Å²	13	43.4 Å²	43.4	7%	0.068	22%	0.22	C	C	.	.			trans	-74.4	141.6	179	-59.5	180	0	0	0	110.4	F442 P445 V452 V453 W465 L490 V493	F442-L448 HydrophobicContact CD1-CD1 3.75Å; F442-L448 HydrophobicContact CE1-CD1 4.47Å; P445-L448 WeakPolarHBondContact O-CB 3.33Å; P445-L448 PolarHBondContact O-N 3.4Å; P445-L448 VanDerWaalsContact O-N 3.16Å; L448-V452 HydrophobicContact CD2-CG1 4.26Å; L448-V453 HydrophobicContact CB-CG2 3.99Å; L448-V453 HydrophobicContact CD1-CG2 4.48Å; L448-W465 PolarHBondContact O-NE1 3.11Å; L448-L490 HydrophobicContact CD1-CD2 4.18Å; L448-V493 VanDerWaalsContact O-CG1 3.27Å; L448-V493 WeakPolarHBondContact O-CG1 3.43Å
449	S	94	Very high	83	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.014	22%	0.215	C	C	.	.			trans	-80.7	154.7	175.3	67.3	0	0	0	0	112	E451 V452 V453 W465	S449-E451 VanDerWaalsContact CB-CD 3.47Å; S449-E451 WeakPolarHBondContact CB-OE1 3.24Å; S449-E451 WeakPolarHBondContact CB-OE2 3.48Å; S449-E451 PolarHBondContact O-N 2.81Å; S449-E451 WeakPolarHBondContact OG-CG 3.36Å; S449-E451 PolarHBondContact OG-OE1 3.4Å; S449-E451 PolarHBondContact OG-OE2 2.99Å; S449-V452 PolarHBondContact O-N 2.97Å; S449-V452 WeakPolarHBondContact OG-CG2 3.5Å; S449-V452 PolarHBondContact OG-N 2.94Å; S449-V453 PolarHBondContact O-N 2.73Å; S449-V453 VanDerWaalsContact O-N 3.17Å; S449-W465 VanDerWaalsContact CA-CD1 3.44Å
450	P	94.7	Very high	84.5	Confident	4 Å²	4	37 Å²	37	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-56.6	-38.5	179.8	-24.3	34.5	0	0	0	112.4	V452 V453 N454 W465 V493 K522	P450-V452 VanDerWaalsContact C-N 3.31Å; P450-V452 PolarHBondContact O-N 3.34Å; P450-V453 PolarHBondContact O-N 2.93Å; P450-N454 WeakPolarHBondContact O-CB 3.46Å; P450-N454 PolarHBondContact O-N 2.83Å; P450-W465 HydrophobicContact CG-CE3 4.31Å; P450-W465 HydrophobicContact CG-CH2 3.59Å; P450-W465 HydrophobicContact CG-CZ2 3.88Å; P450-W465 HydrophobicContact CG-CZ3 3.83Å; P450-V493 HydrophobicContact CG-CG1 4.12Å; P450-K522 HydrophobicContact CB-CG 4.33Å; P450-K522 HydrophobicContact CG-CG 4.25Å
451	E	93.1	Very high	86.2	Confident	5 Å²	5	37.8 Å²	37.8	2%	0.023	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-31.5	177.9	67.6	-89.3	-168.9	0	0	113.3	S449 Y455 D456 I458 T462 R527	S449-E451 VanDerWaalsContact CB-CD 3.47Å; S449-E451 WeakPolarHBondContact CB-OE1 3.24Å; S449-E451 WeakPolarHBondContact CB-OE2 3.48Å; S449-E451 PolarHBondContact O-N 2.81Å; S449-E451 WeakPolarHBondContact OG-CG 3.36Å; S449-E451 PolarHBondContact OG-OE1 3.4Å; S449-E451 PolarHBondContact OG-OE2 2.99Å; E451-Y455 PolarHBondContact O-N 2.97Å; E451-D456 HydrophobicContact CB-CB 3.92Å; E451-D456 PolarHBondContact O-N 3.36Å; E451-I458 HydrophobicContact CG-CG2 4.45Å; E451-T462 WeakPolarHBondContact OE1-CA 3.45Å; E451-T462 WeakPolarHBondContact OE1-CB 3.46Å; E451-T462 PolarHBondContact OE1-OG1 3.38Å; E451-R527 IonicContact OE1-CZ 3.71Å; E451-R527 IonicContact OE1-NH1 3.18Å; E451-R527 PolarHBondContact OE1-NH1 2.81Å; E451-R527 IonicContact OE1-NH2 2.93Å; E451-R527 IonicContact OE2-CZ 2.74Å; E451-R527 IonicContact OE2-NH1 3.65Å; E451-R527 PolarHBondContact OE2-NH1 2.78Å; E451-R527 IonicContact OE2-NH2 2.63Å; E451-R527 PolarHBondContact OE2-NH2 2.91Å
452	V	91.3	Very high	88	Confident	15 Å²	15	33.3 Å²	33.3	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-72.2	-39.8	174.8	168.4	0	0	0	0	111	V440 L448 S449 P450 Y455 I458 T462	V440-V452 HydrophobicContact CB-CG1 4.02Å; V440-V452 HydrophobicContact CG2-CG1 4.23Å; V440-V452 HydrophobicContact CG2-CG2 4.43Å; L448-V452 HydrophobicContact CD2-CG1 4.26Å; S449-V452 PolarHBondContact O-N 2.97Å; S449-V452 WeakPolarHBondContact OG-CG2 3.5Å; S449-V452 PolarHBondContact OG-N 2.94Å; P450-V452 VanDerWaalsContact C-N 3.31Å; P450-V452 PolarHBondContact O-N 3.34Å; V452-Y455 PolarHBondContact O-N 3.49Å; V452-I458 HydrophobicContact CG2-CG2 3.61Å; V452-T462 HydrophobicContact CG2-CG2 3.66Å
453	V	90.8	Very high	89.7	Confident	18 Å²	18	29 Å²	29	11%	0.109	15%	0.153	C	C	.	.	H	α-helix	trans	-69.1	-35.9	179.3	-175	0	0	0	0	111.5	L448 S449 P450 Y455 L490 V493 L494	L448-V453 HydrophobicContact CB-CG2 3.99Å; L448-V453 HydrophobicContact CD1-CG2 4.48Å; S449-V453 PolarHBondContact O-N 2.73Å; S449-V453 VanDerWaalsContact O-N 3.17Å; P450-V453 PolarHBondContact O-N 2.93Å; V453-Y455 VanDerWaalsContact C-N 3.33Å; V453-Y455 PolarHBondContact O-N 2.92Å; V453-L490 HydrophobicContact CB-CD2 4.46Å; V453-L490 HydrophobicContact CG1-CB 4.35Å; V453-L490 HydrophobicContact CG1-CD2 3.91Å; V453-L490 HydrophobicContact CG2-CD2 3.61Å; V453-V493 HydrophobicContact CG2-CG1 4.04Å; V453-L494 HydrophobicContact CB-CD2 3.82Å; V453-L494 HydrophobicContact CB-CG 4.22Å; V453-L494 HydrophobicContact CG1-CD1 3.8Å; V453-L494 HydrophobicContact CG1-CD2 3.75Å; V453-L494 HydrophobicContact CG1-CG 3.71Å
454	N	90.5	Very high	91.4	Very high	85 Å²	85	27.7 Å²	27.7	46%	0.455	14%	0.14	S	C	.	.	H	α-helix	trans	-73	-16	173.9	-82.1	-7.9	0	0	0	115	P450 D456 L494	P450-N454 WeakPolarHBondContact O-CB 3.46Å; P450-N454 PolarHBondContact O-N 2.83Å; N454-D456 VanDerWaalsContact C-N 3.32Å; N454-D456 HydrophobicContact CB-CB 4.25Å; N454-D456 WeakPolarHBondContact CB-OD2 3.46Å; N454-D456 PolarHBondContact ND2-OD2 2.99Å; N454-L494 WeakPolarHBondContact OD1-CD2 3.46Å
455	Y	87.3	Confident	92.4	Very high	103 Å²	103	25.9 Å²	25.9	40%	0.404	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	37	-162.9	-49.9	-91.9	0	0	0	113.9	K439 F442 E451 V452 V453	K439-Y455 HydrophobicContact CD-CD1 4.45Å; K439-Y455 HydrophobicContact CD-CE1 4.41Å; K439-Y455 HydrophobicContact CG-CD1 4.04Å; K439-Y455 HydrophobicContact CG-CE1 4.33Å; F442-Y455 WeakPolarHBondContact CE2-OH 3.28Å; F442-Y455 AromaticContact CZ-CZ 3.98Å; F442-Y455 WeakPolarHBondContact CZ-OH 3.49Å; E451-Y455 PolarHBondContact O-N 2.97Å; V452-Y455 PolarHBondContact O-N 3.49Å; V453-Y455 VanDerWaalsContact C-N 3.33Å; V453-Y455 PolarHBondContact O-N 2.92Å
456	D	88.8	Confident	93	Very high	69 Å²	69	25.5 Å²	25.5	37%	0.369	13%	0.127	S	C	.	.			trans	-79.6	-174.8	171.6	-77.3	-40.7	0	0	0	112	E451 N454 I458	E451-D456 HydrophobicContact CB-CB 3.92Å; E451-D456 PolarHBondContact O-N 3.36Å; N454-D456 VanDerWaalsContact C-N 3.32Å; N454-D456 HydrophobicContact CB-CB 4.25Å; N454-D456 WeakPolarHBondContact CB-OD2 3.46Å; N454-D456 PolarHBondContact ND2-OD2 2.99Å; D456-I458 PolarHBondContact O-N 3.41Å
457	Q	88.6	Confident	93.4	Very high	98 Å²	98	25 Å²	25	46%	0.458	12%	0.124	S	C	.	.			trans	-82.9	99.8	-176.8	-173.6	-175.7	36.2	0	0	111.1	P434 Q524	P434-Q457 PolarHBondContact O-NE2 3.2Å; Q457-Q524 PolarHBondContact O-NE2 3.24Å; Q457-Q524 PolarHBondContact O-OE1 3.19Å
458	I	90.4	Very high	93.7	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.031	12%	0.123	C	C	.	.			trans	-61	161.2	175.4	68.5	172.1	0	0	0	112.8	L402 L404 Y432 L438 E451 V452 D456 T462	L402-I458 HydrophobicContact CD1-CD1 3.94Å; L402-I458 HydrophobicContact CD1-CG1 4.16Å; L404-I458 HydrophobicContact CD1-CD1 3.75Å; L404-I458 HydrophobicContact CD2-CD1 3.88Å; L404-I458 HydrophobicContact CG-CD1 4.5Å; Y432-I458 WeakPolarHBondContact CE2-O 3.41Å; L438-I458 HydrophobicContact CB-CD1 3.83Å; L438-I458 HydrophobicContact CB-CG1 4.37Å; L438-I458 HydrophobicContact CD1-CD1 3.75Å; L438-I458 HydrophobicContact CD1-CG1 4.19Å; L438-I458 HydrophobicContact CG-CD1 4.43Å; E451-I458 HydrophobicContact CG-CG2 4.45Å; V452-I458 HydrophobicContact CG2-CG2 3.61Å; D456-I458 PolarHBondContact O-N 3.41Å; I458-T462 WeakPolarHBondContact CA-OG1 3.49Å; I458-T462 HydrophobicContact CB-CG2 4.28Å; I458-T462 HydrophobicContact CG2-CG2 4.28Å
459	S	92.5	Very high	94	Very high	7 Å²	7	24.1 Å²	24.1	5%	0.049	12%	0.12	C	C	.	.			trans	-155	-176.6	-178.6	56.8	0	0	0	0	112	K461 T462 Q524	S459-K461 PolarHBondContact O-N 3.37Å; S459-K461 WeakPolarHBondContact OG-CB 3.39Å; S459-K461 PolarHBondContact OG-N 3.01Å; S459-T462 PolarHBondContact N-OG1 3.37Å; S459-T462 WeakPolarHBondContact O-CB 3.48Å; S459-T462 PolarHBondContact O-N 2.98Å; S459-T462 PolarHBondContact O-OG1 3.27Å; S459-Q524 PolarHBondContact OG-NE2 2.89Å
460	D	94.1	Very high	94.2	Very high	49 Å²	49	24 Å²	24	26%	0.262	12%	0.119	S	C	.	.	H	α-helix	trans	-50.9	-37.4	167.8	58.7	-63.1	0	0	0	112	H397 L402 T462 D463	H397-D460 HydrophobicContact CB-CB 4.41Å; H397-D460 PolarHBondContact CE1-O 3.23Å; H397-D460 PolarHBondContact NE2-O 3.34Å; L402-D460 HydrophobicContact CD2-CB 4.44Å; D460-T462 PolarHBondContact O-N 3.38Å; D460-T462 VanDerWaalsContact O-N 3.16Å; D460-D463 PolarHBondContact O-N 3.28Å
461	K	96.4	Very high	94.3	Very high	29 Å²	29	23.8 Å²	23.8	13%	0.126	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-18.9	178.3	-51.7	-68.8	-174	152.3	0	113.3	S459 M464 W465 Q524 R527 M528 S529	S459-K461 PolarHBondContact O-N 3.37Å; S459-K461 WeakPolarHBondContact OG-CB 3.39Å; S459-K461 PolarHBondContact OG-N 3.01Å; K461-M464 WeakPolarHBondContact O-CB 3.39Å; K461-M464 PolarHBondContact O-N 3.25Å; K461-W465 PolarHBondContact O-N 2.88Å; K461-Q524 HydrophobicContact CB-CB 4.07Å; K461-Q524 WeakPolarHBondContact CB-O 3.49Å; K461-Q524 VanDerWaalsContact CG-O 3.24Å; K461-Q524 WeakPolarHBondContact CG-O 3.46Å; K461-R527 WeakPolarHBondContact CD-O 3.2Å; K461-R527 PolarHBondContact NZ-O 3Å; K461-R527 VanDerWaalsContact O-CD 3.32Å; K461-R527 WeakPolarHBondContact O-CD 3.22Å; K461-R527 PolarHBondContact O-NH1 2.91Å; K461-M528 WeakPolarHBondContact CD-O 3.38Å; K461-S529 VanDerWaalsContact NZ-N 3.17Å
462	T	95.4	Very high	94.6	Very high	5 Å²	5	24 Å²	24	3%	0.031	12%	0.119	C	C	.	.	H	α-helix	trans	-66.2	-43.3	178.1	-63.7	0	0	0	0	111.8	L404 E451 V452 I458 S459 D460 M464 W465	L404-T462 HydrophobicContact CD2-CG2 3.83Å; E451-T462 WeakPolarHBondContact OE1-CA 3.45Å; E451-T462 WeakPolarHBondContact OE1-CB 3.46Å; E451-T462 PolarHBondContact OE1-OG1 3.38Å; V452-T462 HydrophobicContact CG2-CG2 3.66Å; I458-T462 WeakPolarHBondContact CA-OG1 3.49Å; I458-T462 HydrophobicContact CB-CG2 4.28Å; I458-T462 HydrophobicContact CG2-CG2 4.28Å; S459-T462 PolarHBondContact N-OG1 3.37Å; S459-T462 WeakPolarHBondContact O-CB 3.48Å; S459-T462 PolarHBondContact O-N 2.98Å; S459-T462 PolarHBondContact O-OG1 3.27Å; D460-T462 PolarHBondContact O-N 3.38Å; D460-T462 VanDerWaalsContact O-N 3.16Å; T462-M464 PolarHBondContact O-N 3.41Å; T462-W465 PolarHBondContact O-N 3.45Å
463	D	97	Very high	94.8	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-63.8	-31.4	173.3	-69.8	-32.9	0	0	0	111.7	I393 H397 L402 H403 L404 L406 D460 W465 S466 M467	I393-D463 HydrophobicContact CG2-CB 4.43Å; H397-D463 IonicContact CD2-OD2 3.89Å; H397-D463 IonicContact CE1-OD2 3.75Å; H397-D463 IonicContact NE2-OD2 2.75Å; H397-D463 PolarHBondContact NE2-OD2 2.79Å; L402-D463 WeakPolarHBondContact CA-OD2 3.14Å; H403-D463 PolarHBondContact N-OD1 3.16Å; H403-D463 VanDerWaalsContact N-OD1 3.16Å; H403-D463 PolarHBondContact N-OD2 3.32Å; L404-D463 PolarHBondContact N-OD1 3.19Å; L406-D463 HydrophobicContact CD1-CB 3.74Å; D460-D463 PolarHBondContact O-N 3.28Å; D463-W465 PolarHBondContact O-N 3.2Å; D463-S466 PolarHBondContact O-N 3.02Å; D463-M467 PolarHBondContact O-N 2.9Å; D463-M467 VanDerWaalsContact O-N 3.08Å
464	M	98.5	Very high	95.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-70.9	-27.2	-177.9	-56.3	-52.7	-52.5	0	0	113.4	I393 K461 T462 M467 G468 L519 M528 A530 C533	I393-M464 HydrophobicContact CG2-SD 3.8Å; K461-M464 WeakPolarHBondContact O-CB 3.39Å; K461-M464 PolarHBondContact O-N 3.25Å; T462-M464 PolarHBondContact O-N 3.41Å; M464-M467 HydrophobicContact CE-CB 4.28Å; M464-M467 HydrophobicContact CE-CG 4.24Å; M464-M467 WeakPolarHBondContact O-CB 3.36Å; M464-M467 PolarHBondContact O-N 3.36Å; M464-G468 PolarHBondContact O-N 3.39Å; M464-L519 HydrophobicContact CB-CD2 3.9Å; M464-L519 HydrophobicContact CE-CD2 3.78Å; M464-M528 WeakPolarHBondContact CB-O 3.47Å; M464-M528 WeakPolarHBondContact CG-O 3.24Å; M464-A530 HydrophobicContact CE-CB 4.13Å; M464-A530 HydrophobicContact SD-CB 3.8Å; M464-A530 PolarHBondContact SD-N 2.96Å; M464-A530 VanDerWaalsContact SD-N 3.44Å; M464-C533 HydrophobicContact CE-CB 4.46Å; M464-C533 WeakPolarHBondContact CE-SG 3.27Å
465	W	98	Very high	95.4	Very high	1 Å²	1	18.4 Å²	18.4	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-61.3	-49.3	170.5	173.7	-88.2	0	0	0	110.9	L448 S449 P450 K461 T462 D463 M467 G468 V469 F481 V493 I520	L448-W465 PolarHBondContact O-NE1 3.11Å; S449-W465 VanDerWaalsContact CA-CD1 3.44Å; P450-W465 HydrophobicContact CG-CE3 4.31Å; P450-W465 HydrophobicContact CG-CH2 3.59Å; P450-W465 HydrophobicContact CG-CZ2 3.88Å; P450-W465 HydrophobicContact CG-CZ3 3.83Å; K461-W465 PolarHBondContact O-N 2.88Å; T462-W465 PolarHBondContact O-N 3.45Å; D463-W465 PolarHBondContact O-N 3.2Å; W465-M467 VanDerWaalsContact C-N 3.28Å; W465-M467 PolarHBondContact O-N 2.68Å; W465-G468 WeakPolarHBondContact O-CA 3.48Å; W465-G468 PolarHBondContact O-N 2.95Å; W465-V469 PolarHBondContact O-N 3.37Å; W465-F481 AromaticContact CE2-CE2 3.85Å; W465-F481 HydrophobicContact CH2-CE1 4.4Å; W465-F481 AromaticContact CH2-CE2 3.81Å; W465-F481 HydrophobicContact CH2-CE2 3.81Å; W465-F481 AromaticContact CH2-CZ 3.52Å; W465-F481 HydrophobicContact CH2-CZ 3.52Å; W465-F481 AromaticContact CZ2-CD2 3.99Å; W465-F481 HydrophobicContact CZ2-CD2 3.99Å; W465-F481 HydrophobicContact CZ2-CE1 4.31Å; W465-F481 AromaticContact CZ2-CE2 3.19Å; W465-F481 HydrophobicContact CZ2-CE2 3.19Å; W465-F481 AromaticContact CZ2-CZ 3.39Å; W465-F481 HydrophobicContact CZ2-CZ 3.39Å; W465-V493 HydrophobicContact CZ2-CG1 4.15Å; W465-I520 HydrophobicContact CE3-CG2 4.15Å; W465-I520 HydrophobicContact CH2-CG2 3.76Å; W465-I520 HydrophobicContact CZ2-CG2 4.19Å; W465-I520 HydrophobicContact CZ3-CG2 3.73Å
466	S	97.4	Very high	95.8	Very high	9 Å²	9	13.5 Å²	13.5	6%	0.063	7%	0.068	C	C	.	.	H	α-helix	trans	-62.7	-36.2	178.1	-47.7	0	0	0	0	111.6	L406 F447 D463 G468 V469 I470	L406-S466 WeakPolarHBondContact O-CB 3.42Å; F447-S466 PolarHBondContact O-OG 2.67Å; D463-S466 PolarHBondContact O-N 3.02Å; S466-G468 VanDerWaalsContact C-N 3.34Å; S466-G468 PolarHBondContact O-N 3.24Å; S466-V469 PolarHBondContact O-N 2.88Å; S466-I470 WeakPolarHBondContact O-CB 3.28Å; S466-I470 WeakPolarHBondContact O-CD1 3.19Å; S466-I470 WeakPolarHBondContact O-CG1 3.36Å; S466-I470 PolarHBondContact O-N 3.02Å
467	M	98.4	Very high	96.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.2	-39.2	170.3	-173.3	70.3	-98.9	0	0	112.3	V386 I389 I393 D463 M464 W465 I470 T471 L519	V386-M467 HydrophobicContact CB-CE 4.36Å; V386-M467 HydrophobicContact CG1-CE 4Å; V386-M467 HydrophobicContact CG1-SD 4.49Å; V386-M467 HydrophobicContact CG2-CE 3.99Å; I389-M467 HydrophobicContact CB-CE 4.43Å; I389-M467 HydrophobicContact CB-SD 3.91Å; I389-M467 HydrophobicContact CD1-CE 4.21Å; I389-M467 HydrophobicContact CG2-CE 4.23Å; I389-M467 HydrophobicContact CG2-SD 3.41Å; I389-M467 WeakPolarHBondContact CG2-SD 3.47Å; I393-M467 HydrophobicContact CD1-CB 4.37Å; I393-M467 HydrophobicContact CD1-CG 4.41Å; I393-M467 HydrophobicContact CD1-SD 3.97Å; D463-M467 PolarHBondContact O-N 2.9Å; D463-M467 VanDerWaalsContact O-N 3.08Å; M464-M467 HydrophobicContact CE-CB 4.28Å; M464-M467 HydrophobicContact CE-CG 4.24Å; M464-M467 WeakPolarHBondContact O-CB 3.36Å; M464-M467 PolarHBondContact O-N 3.36Å; W465-M467 VanDerWaalsContact C-N 3.28Å; W465-M467 PolarHBondContact O-N 2.68Å; M467-I470 HydrophobicContact CE-CB 4.15Å; M467-I470 HydrophobicContact CE-CG2 3.92Å; M467-T471 WeakPolarHBondContact CE-OG1 3.27Å; M467-T471 WeakPolarHBondContact O-CB 3.35Å; M467-T471 PolarHBondContact O-N 2.67Å; M467-T471 PolarHBondContact O-OG1 2.84Å; M467-L519 HydrophobicContact CG-CD1 4.32Å
468	G	98.4	Very high	96.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-60.9	-50.2	173	0	0	0	0	0	112.5	M464 W465 S466 I470 T471 Y472	M464-G468 PolarHBondContact O-N 3.39Å; W465-G468 WeakPolarHBondContact O-CA 3.48Å; W465-G468 PolarHBondContact O-N 2.95Å; S466-G468 VanDerWaalsContact C-N 3.34Å; S466-G468 PolarHBondContact O-N 3.24Å; G468-I470 PolarHBondContact O-N 2.91Å; G468-T471 PolarHBondContact O-N 3.25Å; G468-Y472 PolarHBondContact O-N 2.68Å
469	V	98.1	Very high	96.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-58	-47.1	176.1	175.9	0	0	0	0	111.3	F447 W465 S466 T471 Y472 M473 P480 F481	F447-V469 HydrophobicContact CD1-CB 4.2Å; F447-V469 HydrophobicContact CD1-CG1 3.58Å; F447-V469 HydrophobicContact CE1-CG1 3.66Å; W465-V469 PolarHBondContact O-N 3.37Å; S466-V469 PolarHBondContact O-N 2.88Å; V469-T471 VanDerWaalsContact C-N 3.33Å; V469-T471 PolarHBondContact O-N 3.06Å; V469-Y472 PolarHBondContact O-N 2.86Å; V469-M473 HydrophobicContact CG1-SD 4.29Å; V469-M473 WeakPolarHBondContact O-CG 3.22Å; V469-M473 PolarHBondContact O-N 2.83Å; V469-P480 HydrophobicContact CG1-CG 4.15Å; V469-P480 HydrophobicContact CG2-CG 4.21Å; V469-F481 HydrophobicContact CG2-CD2 4.22Å; V469-F481 HydrophobicContact CG2-CE2 4.06Å
470	I	97.8	Very high	96.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-60.9	-41.6	176.9	-69.6	163.1	0	0	0	111.1	F367 L406 I411 F447 S466 M467 G468 M473 L474	F367-I470 HydrophobicContact CE2-CG2 4.08Å; F367-I470 HydrophobicContact CZ-CG2 4.05Å; L406-I470 HydrophobicContact CB-CD1 4.37Å; I411-I470 HydrophobicContact CD1-CD1 4.02Å; I411-I470 HydrophobicContact CD1-CG2 4.32Å; F447-I470 HydrophobicContact CD1-CG1 4.22Å; F447-I470 HydrophobicContact CE1-CG1 4.08Å; S466-I470 WeakPolarHBondContact O-CB 3.28Å; S466-I470 WeakPolarHBondContact O-CD1 3.19Å; S466-I470 WeakPolarHBondContact O-CG1 3.36Å; S466-I470 PolarHBondContact O-N 3.02Å; M467-I470 HydrophobicContact CE-CB 4.15Å; M467-I470 HydrophobicContact CE-CG2 3.92Å; G468-I470 PolarHBondContact O-N 2.91Å; I470-M473 PolarHBondContact O-N 2.92Å; I470-L474 HydrophobicContact CG2-CD1 4.18Å; I470-L474 WeakPolarHBondContact O-CG 3.42Å; I470-L474 PolarHBondContact O-N 3.41Å
471	T	98.5	Very high	96.8	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-65.2	-45.6	177.9	-54	0	0	0	0	111.6	V386 M467 G468 V469 M473 L474 L475 F515 V516 W538	V386-T471 HydrophobicContact CG2-CG2 4.04Å; M467-T471 WeakPolarHBondContact CE-OG1 3.27Å; M467-T471 WeakPolarHBondContact O-CB 3.35Å; M467-T471 PolarHBondContact O-N 2.67Å; M467-T471 PolarHBondContact O-OG1 2.84Å; G468-T471 PolarHBondContact O-N 3.25Å; V469-T471 VanDerWaalsContact C-N 3.33Å; V469-T471 PolarHBondContact O-N 3.06Å; T471-M473 VanDerWaalsContact C-N 3.29Å; T471-M473 PolarHBondContact O-N 3.23Å; T471-L474 PolarHBondContact O-N 2.95Å; T471-L475 HydrophobicContact CG2-CD1 3.98Å; T471-L475 WeakPolarHBondContact O-CG 3.29Å; T471-L475 PolarHBondContact O-N 3.41Å; T471-L475 VanDerWaalsContact O-N 3.08Å; T471-F515 HydrophobicContact CG2-CD1 4.01Å; T471-F515 HydrophobicContact CG2-CE1 4Å; T471-V516 HydrophobicContact CG2-CG2 3.66Å; T471-W538 HydrophobicContact CG2-CH2 3.77Å; T471-W538 HydrophobicContact CG2-CZ3 3.76Å
472	Y	98.2	Very high	96.7	Very high	9 Å²	9	8.7 Å²	8.7	4%	0.035	5%	0.049	C	C	.	.	H	α-helix	trans	-56.8	-43.2	174.8	-178.4	-78.4	0	0	0	111.4	G468 V469 L475 S476 L478 P480 W498 Y499 F500 F505 V516	G468-Y472 PolarHBondContact O-N 2.68Å; V469-Y472 PolarHBondContact O-N 2.86Å; Y472-L475 PolarHBondContact O-N 3.11Å; Y472-S476 WeakPolarHBondContact CD1-OG 3.22Å; Y472-S476 VanDerWaalsContact CE1-OG 3.29Å; Y472-S476 WeakPolarHBondContact CE1-OG 3.44Å; Y472-S476 WeakPolarHBondContact O-CB 3.46Å; Y472-S476 PolarHBondContact O-N 3.33Å; Y472-S476 PolarHBondContact O-OG 3.47Å; Y472-L478 VanDerWaalsContact CD1-O 3.27Å; Y472-L478 WeakPolarHBondContact CD1-O 3.36Å; Y472-L478 HydrophobicContact CE1-CB 4Å; Y472-L478 WeakPolarHBondContact CE1-O 3.49Å; Y472-P480 HydrophobicContact CD1-CB 3.96Å; Y472-P480 HydrophobicContact CD1-CG 4.01Å; Y472-P480 HydrophobicContact CD2-CB 4.42Å; Y472-P480 HydrophobicContact CE1-CB 3.98Å; Y472-P480 HydrophobicContact CE1-CG 4.47Å; Y472-P480 HydrophobicContact CE2-CB 4.44Å; Y472-P480 HydrophobicContact CG-CB 4.21Å; Y472-P480 HydrophobicContact CG-CG 4.22Å; Y472-W498 HydrophobicContact CD2-CE3 4.36Å; Y472-W498 HydrophobicContact CD2-CZ3 4.41Å; Y472-W498 HydrophobicContact CE2-CE3 4.19Å; Y472-W498 HydrophobicContact CE2-CZ3 4.43Å; Y472-Y499 WeakPolarHBondContact CE2-O 3.16Å; Y472-Y499 PolarHBondContact OH-O 2.84Å; Y472-Y499 VanDerWaalsContact OH-O 3.12Å; Y472-F500 HydrophobicContact CD2-CE1 4.47Å; Y472-F500 HydrophobicContact CE2-CD1 4.27Å; Y472-F505 HydrophobicContact CD2-CE2 4.03Å; Y472-F505 AromaticContact CD2-CZ 3.67Å; Y472-F505 HydrophobicContact CD2-CZ 3.67Å; Y472-F505 HydrophobicContact CE1-CE2 4.34Å; Y472-F505 AromaticContact CE2-CE2 3.46Å; Y472-F505 HydrophobicContact CE2-CE2 3.46Å; Y472-F505 VanDerWaalsContact CE2-CE2 3.46Å; Y472-F505 AromaticContact CE2-CZ 3.6Å; Y472-F505 HydrophobicContact CE2-CZ 3.6Å; Y472-F505 HydrophobicContact CG-CZ 4.21Å; Y472-F505 AromaticContact CZ-CE2 3.62Å; Y472-V516 HydrophobicContact CD2-CG1 4.11Å
473	M	96.8	Very high	96.4	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-67	-36.9	177.3	-69.4	179	83.8	0	0	113.6	F367 F447 V469 I470 T471 G477 L478 L559 Y562	F367-M473 HydrophobicContact CE1-CB 3.76Å; F367-M473 HydrophobicContact CE1-CE 3.99Å; F367-M473 HydrophobicContact CE1-SD 4.1Å; F367-M473 HydrophobicContact CZ-CB 3.98Å; F447-M473 HydrophobicContact CE1-SD 3.53Å; F447-M473 VanDerWaalsContact CE1-SD 3.53Å; F447-M473 HydrophobicContact CZ-CE 4.2Å; F447-M473 HydrophobicContact CZ-SD 3.55Å; F447-M473 VanDerWaalsContact CZ-SD 3.55Å; V469-M473 HydrophobicContact CG1-SD 4.29Å; V469-M473 WeakPolarHBondContact O-CG 3.22Å; V469-M473 PolarHBondContact O-N 2.83Å; I470-M473 PolarHBondContact O-N 2.92Å; T471-M473 VanDerWaalsContact C-N 3.29Å; T471-M473 PolarHBondContact O-N 3.23Å; M473-G477 WeakPolarHBondContact O-CA 3.47Å; M473-G477 PolarHBondContact O-N 3.5Å; M473-L478 WeakPolarHBondContact CA-O 3.47Å; M473-L478 VanDerWaalsContact CG-O 3.24Å; M473-L478 WeakPolarHBondContact CG-O 3.47Å; M473-L559 HydrophobicContact CB-CD1 4.34Å; M473-L559 HydrophobicContact CE-CD1 4.1Å; M473-Y562 HydrophobicContact CE-CD1 3.78Å; M473-Y562 HydrophobicContact CE-CD2 4.06Å; M473-Y562 HydrophobicContact CE-CE1 3.5Å; M473-Y562 HydrophobicContact CE-CE2 3.78Å; M473-Y562 HydrophobicContact CE-CG 4.08Å
474	L	96.3	Very high	96	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.2	-40.2	175.4	-70.6	168.2	0	0	0	111.6	F367 I370 T382 V386 I470 T471 S555	F367-L474 HydrophobicContact CD2-CD2 4.07Å; F367-L474 HydrophobicContact CE2-CD1 4.47Å; F367-L474 HydrophobicContact CE2-CD2 3.46Å; F367-L474 VanDerWaalsContact CE2-CD2 3.46Å; F367-L474 HydrophobicContact CE2-CG 3.84Å; F367-L474 HydrophobicContact CZ-CD2 3.92Å; F367-L474 HydrophobicContact CZ-CG 3.94Å; I370-L474 HydrophobicContact CD1-CD2 3.27Å; T382-L474 HydrophobicContact CG2-CB 3.48Å; T382-L474 VanDerWaalsContact CG2-CB 3.48Å; T382-L474 HydrophobicContact CG2-CD1 3.97Å; T382-L474 HydrophobicContact CG2-CG 4.32Å; V386-L474 HydrophobicContact CG2-CD1 4Å; I470-L474 HydrophobicContact CG2-CD1 4.18Å; I470-L474 WeakPolarHBondContact O-CG 3.42Å; I470-L474 PolarHBondContact O-N 3.41Å; T471-L474 PolarHBondContact O-N 2.95Å; L474-S555 WeakPolarHBondContact O-CB 3.49Å; L474-S555 PolarHBondContact O-OG 3.15Å
475	L	96.5	Very high	95.6	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-74.6	-37.8	-178.5	-67.6	171	0	0	0	113.7	E379 T382 T471 Y472 F505 V508 A512 V516 W538 L553 S555	E379-L475 HydrophobicContact CG-CD2 3.91Å; T382-L475 HydrophobicContact CG2-CD2 3.95Å; T382-L475 HydrophobicContact CG2-CG 4.2Å; T471-L475 HydrophobicContact CG2-CD1 3.98Å; T471-L475 WeakPolarHBondContact O-CG 3.29Å; T471-L475 PolarHBondContact O-N 3.41Å; T471-L475 VanDerWaalsContact O-N 3.08Å; Y472-L475 PolarHBondContact O-N 3.11Å; L475-F505 HydrophobicContact CB-CE1 3.96Å; L475-F505 HydrophobicContact CB-CZ 4.26Å; L475-F505 HydrophobicContact CD1-CE1 4.28Å; L475-V508 HydrophobicContact CB-CG2 4.48Å; L475-V508 HydrophobicContact CD1-CG1 4.27Å; L475-V508 HydrophobicContact CD2-CG1 4.14Å; L475-A512 HydrophobicContact CD1-CB 3.92Å; L475-A512 HydrophobicContact CD2-CB 4.43Å; L475-V516 HydrophobicContact CD1-CG2 3.93Å; L475-W538 HydrophobicContact CD1-CH2 4.49Å; L475-W538 HydrophobicContact CD1-CZ2 4.5Å; L475-W538 HydrophobicContact CD2-CZ2 4.08Å; L475-L553 HydrophobicContact CD2-CD1 4.37Å; L475-S555 WeakPolarHBondContact O-CB 3.35Å
476	S	95.4	Very high	95.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-113.5	-24.4	-172	67.9	0	0	0	0	115.8	Y472 L478 T504 S555	Y472-S476 WeakPolarHBondContact CD1-OG 3.22Å; Y472-S476 VanDerWaalsContact CE1-OG 3.29Å; Y472-S476 WeakPolarHBondContact CE1-OG 3.44Å; Y472-S476 WeakPolarHBondContact O-CB 3.46Å; Y472-S476 PolarHBondContact O-N 3.33Å; Y472-S476 PolarHBondContact O-OG 3.47Å; S476-L478 PolarHBondContact O-N 2.93Å; S476-L478 PolarHBondContact OG-N 2.94Å; S476-L478 VanDerWaalsContact OG-N 3.07Å; S476-L478 PolarHBondContact OG-O 3.38Å; S476-T504 WeakPolarHBondContact O-CG2 3.35Å; S476-S555 WeakPolarHBondContact O-CA 3.41Å
477	G	94.4	Very high	94.9	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.01	15%	0.152	C	C	.	.	S	Bend	trans	73.6	0.9	-169.5	0	0	0	0	0	114.5	M473 S555 L558 L559	M473-G477 WeakPolarHBondContact O-CA 3.47Å; M473-G477 PolarHBondContact O-N 3.5Å; G477-S555 WeakPolarHBondContact CA-O 3.09Å; G477-L558 CarbonylContact O-C 3.32Å; G477-L558 VanDerWaalsContact O-C 3.32Å; G477-L559 PolarHBondContact O-N 3.32Å
478	L	94.4	Very high	94.7	Very high	55 Å²	55	31.2 Å²	31.2	29%	0.288	17%	0.171	S	C	.	.	S	Bend	trans	-100.3	152.1	176.2	-61.9	174.5	0	0	0	109.9	Y472 M473 S476 D501 T504 L558	Y472-L478 VanDerWaalsContact CD1-O 3.27Å; Y472-L478 WeakPolarHBondContact CD1-O 3.36Å; Y472-L478 HydrophobicContact CE1-CB 4Å; Y472-L478 WeakPolarHBondContact CE1-O 3.49Å; M473-L478 WeakPolarHBondContact CA-O 3.47Å; M473-L478 VanDerWaalsContact CG-O 3.24Å; M473-L478 WeakPolarHBondContact CG-O 3.47Å; S476-L478 PolarHBondContact O-N 2.93Å; S476-L478 PolarHBondContact OG-N 2.94Å; S476-L478 VanDerWaalsContact OG-N 3.07Å; S476-L478 PolarHBondContact OG-O 3.38Å; L478-D501 HydrophobicContact CD1-CB 3.81Å; L478-T504 HydrophobicContact CD1-CG2 4.04Å; L478-T504 HydrophobicContact CG-CG2 4.44Å; L478-L558 HydrophobicContact CD2-CB 4.4Å; L478-L558 HydrophobicContact CD2-CD1 4.03Å; L478-L558 HydrophobicContact CG-CD1 4.11Å
479	S	94.8	Very high	94.5	Very high	22 Å²	22	31.3 Å²	31.3	15%	0.154	17%	0.171	C	C	.	.			trans	-99.4	128.7	170.4	178.7	0	0	0	0	109.2	E446 F481	E446-S479 WeakPolarHBondContact OE2-CB 3.04Å; E446-S479 PolarHBondContact OE2-OG 3.13Å; S479-F481 VanDerWaalsContact C-N 3.28Å; S479-F481 PolarHBondContact O-N 3.39Å
480	P	96.2	Very high	94.2	Very high	21 Å²	21	33 Å²	33	14%	0.136	18%	0.18	C	C	.	.	S	Bend	trans	-73.3	-15.3	-168.5	28.1	-33.5	0	0	0	114.3	V469 Y472 W498 I520	V469-P480 HydrophobicContact CG1-CG 4.15Å; V469-P480 HydrophobicContact CG2-CG 4.21Å; Y472-P480 HydrophobicContact CD1-CB 3.96Å; Y472-P480 HydrophobicContact CD1-CG 4.01Å; Y472-P480 HydrophobicContact CD2-CB 4.42Å; Y472-P480 HydrophobicContact CE1-CB 3.98Å; Y472-P480 HydrophobicContact CE1-CG 4.47Å; Y472-P480 HydrophobicContact CE2-CB 4.44Å; Y472-P480 HydrophobicContact CG-CB 4.21Å; Y472-P480 HydrophobicContact CG-CG 4.22Å; P480-W498 HydrophobicContact CB-CB 4.2Å; P480-I520 HydrophobicContact CG-CD1 4.32Å
481	F	96.2	Very high	94	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.013	20%	0.204	C	C	.	.	S	Bend	trans	-126.7	-5.2	-176.2	-57.8	-63.3	0	0	0	114.8	W465 V469 S479 G483 T489 N492 V493 W498 I520	W465-F481 AromaticContact CE2-CE2 3.85Å; W465-F481 HydrophobicContact CH2-CE1 4.4Å; W465-F481 AromaticContact CH2-CE2 3.81Å; W465-F481 HydrophobicContact CH2-CE2 3.81Å; W465-F481 AromaticContact CH2-CZ 3.52Å; W465-F481 HydrophobicContact CH2-CZ 3.52Å; W465-F481 AromaticContact CZ2-CD2 3.99Å; W465-F481 HydrophobicContact CZ2-CD2 3.99Å; W465-F481 HydrophobicContact CZ2-CE1 4.31Å; W465-F481 AromaticContact CZ2-CE2 3.19Å; W465-F481 HydrophobicContact CZ2-CE2 3.19Å; W465-F481 AromaticContact CZ2-CZ 3.39Å; W465-F481 HydrophobicContact CZ2-CZ 3.39Å; V469-F481 HydrophobicContact CG2-CD2 4.22Å; V469-F481 HydrophobicContact CG2-CE2 4.06Å; S479-F481 VanDerWaalsContact C-N 3.28Å; S479-F481 PolarHBondContact O-N 3.39Å; F481-G483 PolarHBondContact O-N 3.02Å; F481-G483 VanDerWaalsContact O-N 3.07Å; F481-T489 WeakPolarHBondContact O-CA 3.09Å; F481-N492 HydrophobicContact CB-CB 4.07Å; F481-N492 HydrophobicContact CD1-CB 4.18Å; F481-N492 WeakPolarHBondContact O-CB 3.23Å; F481-N492 PolarHBondContact O-ND2 2.68Å; F481-V493 HydrophobicContact CB-CG2 3.75Å; F481-V493 HydrophobicContact CD1-CG2 4.45Å; F481-V493 HydrophobicContact CD2-CG2 3.98Å; F481-V493 HydrophobicContact CG-CG2 3.8Å; F481-W498 HydrophobicContact CE1-CB 3.88Å; F481-W498 HydrophobicContact CE1-CG 4.3Å; F481-W498 HydrophobicContact CZ-CB 4.13Å; F481-W498 AromaticContact CZ-CD1 3.81Å; F481-W498 HydrophobicContact CZ-CG 4.14Å; F481-I520 HydrophobicContact CE2-CG2 3.7Å; F481-I520 HydrophobicContact CZ-CG2 3.48Å; F481-I520 VanDerWaalsContact CZ-CG2 3.48Å
482	L	93	Very high	93.9	Very high	55 Å²	55	39.9 Å²	39.9	29%	0.288	22%	0.217	S	C	.	.			trans	-65.3	108.6	-173.9	178.8	68.8	0	0	0	112.1	Y562	L482-Y562 HydrophobicContact CD2-CD2 4.02Å; L482-Y562 HydrophobicContact CD2-CE2 3.94Å
483	G	91.1	Very high	93.7	Very high	6 Å²	6	39.5 Å²	39.5	6%	0.062	22%	0.215	C	C	.	.			trans	-80.4	-174.4	165	0	0	0	0	0	112.4	F481 E488 T489	F481-G483 PolarHBondContact O-N 3.02Å; F481-G483 VanDerWaalsContact O-N 3.07Å; G483-E488 VanDerWaalsContact CA-OE2 3.24Å; G483-E488 WeakPolarHBondContact CA-OE2 3.26Å; G483-T489 PolarHBondContact N-OG1 3.11Å
484	D	88.4	Confident	93.6	Very high	121 Å²	121	42 Å²	42	65%	0.647	23%	0.228	S	C	*	.	S	Bend	trans	-74.3	-35.9	171.4	-88.7	-34.5	0	0	0	112	E488 K565 K569	D484-E488 PolarHBondContact N-OE2 3.3Å; D484-K565 IonicContact OD1-NZ 2.67Å; D484-K565 PolarHBondContact OD1-NZ 3.42Å; D484-K569 PolarHBondContact O-NZ 3.17Å
485	D	89	Confident	93.5	Very high	85 Å²	85	44 Å²	44	46%	0.455	24%	0.242	S	C	.	.	S	Bend	trans	-118.2	169	171.7	84	56.5	0	0	0	115	T487 E488 T489	D485-T487 VanDerWaalsContact C-N 3.32Å; D485-T487 PolarHBondContact O-N 3.29Å; D485-T487 VanDerWaalsContact OD1-CA 3.29Å; D485-T487 WeakPolarHBondContact OD1-CA 3.45Å; D485-T487 WeakPolarHBondContact OD1-CB 3.43Å; D485-T487 PolarHBondContact OD1-N 2.96Å; D485-T487 PolarHBondContact OD1-OG1 3.13Å; D485-E488 PolarHBondContact OD1-N 3.18Å; D485-E488 VanDerWaalsContact OD1-N 3.16Å; D485-T489 WeakPolarHBondContact O-CB 3.45Å; D485-T489 PolarHBondContact O-N 3.17Å; D485-T489 PolarHBondContact O-OG1 3.39Å
486	D	90.1	Very high	93.3	Very high	98 Å²	98	44.8 Å²	44.8	52%	0.524	25%	0.251	S	S	.	.	H	α-helix	trans	-68.9	-28.9	-174.1	-61.4	-13.6	0	0	0	112.2	P445 L490	P445-D486 HydrophobicContact CG-CB 4.06Å; D486-L490 WeakPolarHBondContact O-CB 3.45Å; D486-L490 WeakPolarHBondContact O-CG 3.41Å; D486-L490 PolarHBondContact O-N 3.18Å
487	T	91.2	Very high	93	Very high	93 Å²	93	51 Å²	51	57%	0.571	28%	0.284	S	S	*	.	H	α-helix	trans	-70.9	-47.2	177.3	-30.8	0	0	0	0	110.7	D485 T489 L490 N491	D485-T487 VanDerWaalsContact C-N 3.32Å; D485-T487 PolarHBondContact O-N 3.29Å; D485-T487 VanDerWaalsContact OD1-CA 3.29Å; D485-T487 WeakPolarHBondContact OD1-CA 3.45Å; D485-T487 WeakPolarHBondContact OD1-CB 3.43Å; D485-T487 PolarHBondContact OD1-N 2.96Å; D485-T487 PolarHBondContact OD1-OG1 3.13Å; T487-T489 VanDerWaalsContact C-N 3.32Å; T487-L490 PolarHBondContact O-N 3.39Å; T487-N491 WeakPolarHBondContact O-CB 3.34Å; T487-N491 VanDerWaalsContact O-CG 3.24Å; T487-N491 PolarHBondContact O-N 2.99Å; T487-N491 PolarHBondContact O-ND2 3.12Å
488	E	93.6	Very high	93	Very high	86 Å²	86	53.5 Å²	53.5	40%	0.402	29%	0.294	S	S	.	.	H	α-helix	trans	-60.1	-45	173.3	-173.6	-174.3	-165.9	0	0	110.6	G483 D484 D485 L490 N491 N492	G483-E488 VanDerWaalsContact CA-OE2 3.24Å; G483-E488 WeakPolarHBondContact CA-OE2 3.26Å; D484-E488 PolarHBondContact N-OE2 3.3Å; D485-E488 PolarHBondContact OD1-N 3.18Å; D485-E488 VanDerWaalsContact OD1-N 3.16Å; E488-L490 VanDerWaalsContact C-N 3.34Å; E488-L490 PolarHBondContact O-N 3.15Å; E488-N491 WeakPolarHBondContact O-CB 3.31Å; E488-N491 PolarHBondContact O-N 3.38Å; E488-N491 VanDerWaalsContact O-N 3.13Å; E488-N492 VanDerWaalsContact O-CG 3.22Å; E488-N492 PolarHBondContact O-N 3.17Å; E488-N492 PolarHBondContact O-ND2 2.87Å
489	T	93.8	Very high	93.1	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-58.2	-44.2	177	-57.2	0	0	0	0	112.2	P445 E446 F481 G483 D485 T487 N492 V493	P445-T489 HydrophobicContact CB-CG2 3.96Å; P445-T489 HydrophobicContact CG-CG2 4Å; E446-T489 HydrophobicContact CB-CG2 3.74Å; F481-T489 WeakPolarHBondContact O-CA 3.09Å; G483-T489 PolarHBondContact N-OG1 3.11Å; D485-T489 WeakPolarHBondContact O-CB 3.45Å; D485-T489 PolarHBondContact O-N 3.17Å; D485-T489 PolarHBondContact O-OG1 3.39Å; T487-T489 VanDerWaalsContact C-N 3.32Å; T489-N492 PolarHBondContact O-N 3.31Å; T489-V493 WeakPolarHBondContact O-CG2 3.39Å; T489-V493 PolarHBondContact O-N 3.43Å; T489-V493 VanDerWaalsContact O-N 3.1Å
490	L	92.7	Very high	93.2	Very high	36 Å²	36	60.4 Å²	60.4	19%	0.188	32%	0.315	C	S	.	.	H	α-helix	trans	-68	-37.4	175.7	-69.9	169.6	0	0	0	112.1	P445 L448 V453 D486 T487 E488 N492 V493 L494	P445-L490 HydrophobicContact CB-CD2 3.81Å; P445-L490 HydrophobicContact CB-CG 3.94Å; L448-L490 HydrophobicContact CD1-CD2 4.18Å; V453-L490 HydrophobicContact CB-CD2 4.46Å; V453-L490 HydrophobicContact CG1-CB 4.35Å; V453-L490 HydrophobicContact CG1-CD2 3.91Å; V453-L490 HydrophobicContact CG2-CD2 3.61Å; D486-L490 WeakPolarHBondContact O-CB 3.45Å; D486-L490 WeakPolarHBondContact O-CG 3.41Å; D486-L490 PolarHBondContact O-N 3.18Å; T487-L490 PolarHBondContact O-N 3.39Å; E488-L490 VanDerWaalsContact C-N 3.34Å; E488-L490 PolarHBondContact O-N 3.15Å; L490-N492 VanDerWaalsContact C-N 3.34Å; L490-V493 PolarHBondContact O-N 3.02Å; L490-L494 WeakPolarHBondContact O-CB 3.42Å; L490-L494 VanDerWaalsContact O-CG 3.28Å; L490-L494 WeakPolarHBondContact O-CG 3.44Å; L490-L494 PolarHBondContact O-N 3.08Å
491	N	93.9	Very high	93.2	Very high	95 Å²	95	61.3 Å²	61.3	51%	0.508	32%	0.319	S	S	.	.	H	α-helix	trans	-64.1	-38.1	174.1	-72.2	-27.4	0	0	0	112	T487 E488 L494 S495	T487-N491 WeakPolarHBondContact O-CB 3.34Å; T487-N491 VanDerWaalsContact O-CG 3.24Å; T487-N491 PolarHBondContact O-N 2.99Å; T487-N491 PolarHBondContact O-ND2 3.12Å; E488-N491 WeakPolarHBondContact O-CB 3.31Å; E488-N491 PolarHBondContact O-N 3.38Å; E488-N491 VanDerWaalsContact O-N 3.13Å; N491-L494 PolarHBondContact O-N 3.21Å; N491-S495 WeakPolarHBondContact O-CB 3.5Å; N491-S495 PolarHBondContact O-N 3.18Å
492	N	95.4	Very high	93.1	Very high	50 Å²	50	69.5 Å²	69.5	27%	0.267	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-49.7	175.1	-67.9	-20.3	0	0	0	110.8	F481 E488 T489 L490 L494 S495 G496	F481-N492 HydrophobicContact CB-CB 4.07Å; F481-N492 HydrophobicContact CD1-CB 4.18Å; F481-N492 WeakPolarHBondContact O-CB 3.23Å; F481-N492 PolarHBondContact O-ND2 2.68Å; E488-N492 VanDerWaalsContact O-CG 3.22Å; E488-N492 PolarHBondContact O-N 3.17Å; E488-N492 PolarHBondContact O-ND2 2.87Å; T489-N492 PolarHBondContact O-N 3.31Å; L490-N492 VanDerWaalsContact C-N 3.34Å; N492-L494 VanDerWaalsContact C-N 3.34Å; N492-L494 PolarHBondContact O-N 3.37Å; N492-S495 PolarHBondContact O-N 3.38Å; N492-S495 PolarHBondContact O-OG 3.42Å; N492-G496 PolarHBondContact O-N 2.99Å; N492-G496 VanDerWaalsContact O-N 3.09Å
493	V	95.4	Very high	93.1	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-54.6	-47.9	172.3	168.5	0	0	0	0	111.4	L448 P450 V453 W465 F481 T489 L490 S495 G496	L448-V493 VanDerWaalsContact O-CG1 3.27Å; L448-V493 WeakPolarHBondContact O-CG1 3.43Å; P450-V493 HydrophobicContact CG-CG1 4.12Å; V453-V493 HydrophobicContact CG2-CG1 4.04Å; W465-V493 HydrophobicContact CZ2-CG1 4.15Å; F481-V493 HydrophobicContact CB-CG2 3.75Å; F481-V493 HydrophobicContact CD1-CG2 4.45Å; F481-V493 HydrophobicContact CD2-CG2 3.98Å; F481-V493 HydrophobicContact CG-CG2 3.8Å; T489-V493 WeakPolarHBondContact O-CG2 3.39Å; T489-V493 PolarHBondContact O-N 3.43Å; T489-V493 VanDerWaalsContact O-N 3.1Å; L490-V493 PolarHBondContact O-N 3.02Å; V493-S495 VanDerWaalsContact C-N 3.34Å; V493-S495 PolarHBondContact O-N 2.91Å; V493-G496 PolarHBondContact O-N 3.34Å
494	L	93.9	Very high	93.2	Very high	52 Å²	52	73.3 Å²	73.3	27%	0.272	37%	0.372	S	S	.	.	H	α-helix	trans	-67.2	-30.7	-179.9	-75.4	178.6	0	0	0	113.5	V453 N454 L490 N491 N492 K522	V453-L494 HydrophobicContact CB-CD2 3.82Å; V453-L494 HydrophobicContact CB-CG 4.22Å; V453-L494 HydrophobicContact CG1-CD1 3.8Å; V453-L494 HydrophobicContact CG1-CD2 3.75Å; V453-L494 HydrophobicContact CG1-CG 3.71Å; N454-L494 WeakPolarHBondContact OD1-CD2 3.46Å; L490-L494 WeakPolarHBondContact O-CB 3.42Å; L490-L494 VanDerWaalsContact O-CG 3.28Å; L490-L494 WeakPolarHBondContact O-CG 3.44Å; L490-L494 PolarHBondContact O-N 3.08Å; N491-L494 PolarHBondContact O-N 3.21Å; N492-L494 VanDerWaalsContact C-N 3.34Å; N492-L494 PolarHBondContact O-N 3.37Å; L494-K522 VanDerWaalsContact O-CE 3.22Å; L494-K522 WeakPolarHBondContact O-CE 3.28Å; L494-K522 PolarHBondContact O-NZ 2.75Å
495	S	94.4	Very high	93.5	Very high	42 Å²	42	67.9 Å²	67.9	29%	0.294	34%	0.343	S	S	.	.	H	α-helix	trans	-64.7	-46	171.7	79.1	0	0	0	0	110	N491 N492 V493 N497 K522	N491-S495 WeakPolarHBondContact O-CB 3.5Å; N491-S495 PolarHBondContact O-N 3.18Å; N492-S495 PolarHBondContact O-N 3.38Å; N492-S495 PolarHBondContact O-OG 3.42Å; V493-S495 VanDerWaalsContact C-N 3.34Å; V493-S495 PolarHBondContact O-N 2.91Å; S495-N497 VanDerWaalsContact C-N 3.27Å; S495-N497 WeakPolarHBondContact OG-CB 3.33Å; S495-N497 PolarHBondContact OG-N 3.34Å; S495-K522 PolarHBondContact O-NZ 3.46Å
496	G	92.1	Very high	93.7	Very high	18 Å²	18	69.7 Å²	69.7	19%	0.186	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	9.2	-168.4	0	0	0	0	0	113.4	N492 V493 W498	N492-G496 PolarHBondContact O-N 2.99Å; N492-G496 VanDerWaalsContact O-N 3.09Å; V493-G496 PolarHBondContact O-N 3.34Å; G496-W498 PolarHBondContact O-N 2.91Å
497	N	88.8	Confident	93.7	Very high	130 Å²	130	66.1 Å²	66.1	70%	0.695	33%	0.332	S	S	*	.			trans	-81.6	112.2	178.6	-63.5	-17.2	0	0	0	109.9	S495	S495-N497 VanDerWaalsContact C-N 3.27Å; S495-N497 WeakPolarHBondContact OG-CB 3.33Å; S495-N497 PolarHBondContact OG-N 3.34Å
498	W	95.3	Very high	93.8	Very high	55 Å²	55	62 Å²	62	21%	0.208	31%	0.307	C	S	.	.			trans	-144.1	164.9	171.4	65.2	-84.9	0	0	0	108.6	Y472 P480 F481 G496 F500 V516 I520	Y472-W498 HydrophobicContact CD2-CE3 4.36Å; Y472-W498 HydrophobicContact CD2-CZ3 4.41Å; Y472-W498 HydrophobicContact CE2-CE3 4.19Å; Y472-W498 HydrophobicContact CE2-CZ3 4.43Å; P480-W498 HydrophobicContact CB-CB 4.2Å; F481-W498 HydrophobicContact CE1-CB 3.88Å; F481-W498 HydrophobicContact CE1-CG 4.3Å; F481-W498 HydrophobicContact CZ-CB 4.13Å; F481-W498 AromaticContact CZ-CD1 3.81Å; F481-W498 HydrophobicContact CZ-CG 4.14Å; G496-W498 PolarHBondContact O-N 2.91Å; W498-F500 HydrophobicContact CH2-CE1 4.19Å; W498-F500 AromaticContact CH2-CE2 3.82Å; W498-F500 HydrophobicContact CH2-CE2 3.82Å; W498-F500 AromaticContact CH2-CZ 3.53Å; W498-F500 HydrophobicContact CH2-CZ 3.53Å; W498-F500 HydrophobicContact CZ3-CD1 4.15Å; W498-F500 HydrophobicContact CZ3-CD2 4.22Å; W498-F500 AromaticContact CZ3-CE1 3.68Å; W498-F500 HydrophobicContact CZ3-CE1 3.68Å; W498-F500 AromaticContact CZ3-CE2 3.74Å; W498-F500 HydrophobicContact CZ3-CE2 3.74Å; W498-F500 HydrophobicContact CZ3-CG 4.4Å; W498-F500 AromaticContact CZ3-CZ 3.43Å; W498-F500 HydrophobicContact CZ3-CZ 3.43Å; W498-F500 VanDerWaalsContact CZ3-CZ 3.43Å; W498-V516 HydrophobicContact CH2-CG1 4.1Å; W498-V516 HydrophobicContact CZ3-CG1 4.2Å; W498-I520 HydrophobicContact CD2-CB 4.41Å; W498-I520 HydrophobicContact CD2-CG2 4.26Å; W498-I520 HydrophobicContact CG-CG2 4.15Å; W498-I520 HydrophobicContact CZ2-CB 3.88Å; W498-I520 VanDerWaalsContact NE1-CG2 3.33Å; W498-I520 PolarHBondContact NE1-O 3.06Å
499	Y	96.2	Very high	93.9	Very high	168 Å²	168	59.7 Å²	59.7	66%	0.659	30%	0.3	S	S	*	.			trans	-148.8	165.6	-179.4	57.9	-84.8	0	0	0	110.4	Y472 D501	Y472-Y499 WeakPolarHBondContact CE2-O 3.16Å; Y472-Y499 PolarHBondContact OH-O 2.84Å; Y472-Y499 VanDerWaalsContact OH-O 3.12Å; Y499-D501 HydrophobicContact CE2-CB 4.35Å
500	F	97.4	Very high	94.1	Very high	54 Å²	54	65.2 Å²	65.2	24%	0.237	33%	0.33	C	S	.	.			trans	-83.7	111.8	167.4	-65.3	-67.2	0	0	0	108.9	Y472 W498 E502 F505 K513 V516 S517	Y472-F500 HydrophobicContact CD2-CE1 4.47Å; Y472-F500 HydrophobicContact CE2-CD1 4.27Å; W498-F500 HydrophobicContact CH2-CE1 4.19Å; W498-F500 AromaticContact CH2-CE2 3.82Å; W498-F500 HydrophobicContact CH2-CE2 3.82Å; W498-F500 AromaticContact CH2-CZ 3.53Å; W498-F500 HydrophobicContact CH2-CZ 3.53Å; W498-F500 HydrophobicContact CZ3-CD1 4.15Å; W498-F500 HydrophobicContact CZ3-CD2 4.22Å; W498-F500 AromaticContact CZ3-CE1 3.68Å; W498-F500 HydrophobicContact CZ3-CE1 3.68Å; W498-F500 AromaticContact CZ3-CE2 3.74Å; W498-F500 HydrophobicContact CZ3-CE2 3.74Å; W498-F500 HydrophobicContact CZ3-CG 4.4Å; W498-F500 AromaticContact CZ3-CZ 3.43Å; W498-F500 HydrophobicContact CZ3-CZ 3.43Å; W498-F500 VanDerWaalsContact CZ3-CZ 3.43Å; F500-E502 PolarHBondContact O-N 3Å; F500-F505 HydrophobicContact CB-CB 4.07Å; F500-F505 HydrophobicContact CB-CD2 3.96Å; F500-F505 HydrophobicContact CB-CG 3.93Å; F500-F505 AromaticContact CD1-CD1 3.52Å; F500-F505 HydrophobicContact CD1-CD1 3.52Å; F500-F505 AromaticContact CD1-CD2 3.87Å; F500-F505 HydrophobicContact CD1-CD2 3.87Å; F500-F505 AromaticContact CD1-CE1 3.48Å; F500-F505 HydrophobicContact CD1-CE1 3.48Å; F500-F505 VanDerWaalsContact CD1-CE1 3.48Å; F500-F505 AromaticContact CD1-CE2 3.79Å; F500-F505 HydrophobicContact CD1-CE2 3.79Å; F500-F505 AromaticContact CD1-CG 3.73Å; F500-F505 HydrophobicContact CD1-CG 3.73Å; F500-F505 AromaticContact CD1-CZ 3.61Å; F500-F505 HydrophobicContact CD1-CZ 3.61Å; F500-F505 HydrophobicContact CE1-CD1 4.14Å; F500-F505 AromaticContact CE1-CE1 3.77Å; F500-F505 HydrophobicContact CE1-CE1 3.77Å; F500-F505 HydrophobicContact CE1-CZ 4.03Å; F500-F505 HydrophobicContact CG-CD1 4.35Å; F500-F505 HydrophobicContact CG-CD2 4.43Å; F500-F505 HydrophobicContact CG-CG 4.25Å; F500-K513 HydrophobicContact CD1-CG 4.1Å; F500-K513 HydrophobicContact CD2-CB 4.3Å; F500-K513 HydrophobicContact CD2-CG 4.33Å; F500-K513 HydrophobicContact CE1-CB 4.06Å; F500-K513 HydrophobicContact CE1-CG 4Å; F500-K513 HydrophobicContact CE2-CB 3.79Å; F500-K513 HydrophobicContact CE2-CG 4.25Å; F500-K513 HydrophobicContact CG-CG 4.26Å; F500-K513 HydrophobicContact CZ-CB 3.66Å; F500-K513 HydrophobicContact CZ-CG 4.1Å; F500-K513 VanDerWaalsContact CZ-O 3.23Å; F500-K513 WeakPolarHBondContact CZ-O 3.32Å; F500-V516 HydrophobicContact CE1-CB 4.21Å; F500-V516 HydrophobicContact CE1-CG1 4.09Å; F500-V516 HydrophobicContact CZ-CB 4.24Å; F500-V516 HydrophobicContact CZ-CG1 4.26Å; F500-S517 WeakPolarHBondContact CE2-OG 3.37Å; F500-S517 WeakPolarHBondContact CZ-OG 3.15Å
501	D	95.7	Very high	94.3	Very high	39 Å²	39	67.3 Å²	67.3	21%	0.209	34%	0.339	C	S	.	.			trans	-60	126.5	173.8	164	-96.1	0	0	0	111	L478 Y499 E503 T504 F505	L478-D501 HydrophobicContact CD1-CB 3.81Å; Y499-D501 HydrophobicContact CE2-CB 4.35Å; D501-E503 PolarHBondContact O-N 3.39Å; D501-E503 PolarHBondContact OD1-N 2.71Å; D501-T504 WeakPolarHBondContact CB-OG1 3.44Å; D501-T504 PolarHBondContact O-N 2.71Å; D501-T504 PolarHBondContact O-OG1 3.47Å; D501-T504 VanDerWaalsContact OD1-CB 3.29Å; D501-T504 WeakPolarHBondContact OD1-CB 3.41Å; D501-T504 VanDerWaalsContact OD1-CG2 3.28Å; D501-T504 WeakPolarHBondContact OD1-CG2 3.47Å; D501-T504 PolarHBondContact OD1-N 2.85Å; D501-T504 PolarHBondContact OD1-OG1 2.58Å; D501-F505 WeakPolarHBondContact O-CB 3.46Å; D501-F505 PolarHBondContact O-N 3Å
502	E	93.9	Very high	94.4	Very high	175 Å²	175	62.8 Å²	62.8	82%	0.818	32%	0.315	S	S	*	.	H	α-helix	trans	-63	-39	-169.4	-64.3	-175.8	173.7	0	0	112.5	F500 E506	F500-E502 PolarHBondContact O-N 3Å; E502-E506 WeakPolarHBondContact O-CB 3.48Å; E502-E506 PolarHBondContact O-N 3.09Å; E502-E506 VanDerWaalsContact O-N 3.13Å
503	E	93.4	Very high	94.6	Very high	138 Å²	138	62.5 Å²	62.5	65%	0.645	31%	0.311	S	S	*	.	H	α-helix	trans	-69.5	-45.4	-178.7	-166.5	-169.4	154.4	0	0	111.3	D501 K554	D501-E503 PolarHBondContact O-N 3.39Å; D501-E503 PolarHBondContact OD1-N 2.71Å; E503-K554 WeakPolarHBondContact O-CD 3.15Å; E503-K554 WeakPolarHBondContact O-CE 3.33Å; E503-K554 PolarHBondContact O-NZ 2.77Å
504	T	92.7	Very high	94.7	Very high	4 Å²	4	66.3 Å²	66.3	3%	0.025	33%	0.331	C	S	.	.	H	α-helix	trans	-77.8	-37.5	-175.9	55.2	0	0	0	0	113.1	S476 L478 D501 L558	S476-T504 WeakPolarHBondContact O-CG2 3.35Å; L478-T504 HydrophobicContact CD1-CG2 4.04Å; L478-T504 HydrophobicContact CG-CG2 4.44Å; D501-T504 WeakPolarHBondContact CB-OG1 3.44Å; D501-T504 PolarHBondContact O-N 2.71Å; D501-T504 PolarHBondContact O-OG1 3.47Å; D501-T504 VanDerWaalsContact OD1-CB 3.29Å; D501-T504 WeakPolarHBondContact OD1-CB 3.41Å; D501-T504 VanDerWaalsContact OD1-CG2 3.28Å; D501-T504 WeakPolarHBondContact OD1-CG2 3.47Å; D501-T504 PolarHBondContact OD1-N 2.85Å; D501-T504 PolarHBondContact OD1-OG1 2.58Å; T504-L558 HydrophobicContact CG2-CD1 3.31Å
505	F	94.9	Very high	95	Very high	6 Å²	6	63.8 Å²	63.8	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-89.5	-3.5	-179.6	-74.4	-89.1	0	0	0	114.9	Y472 L475 F500 D501 A507 V508 K513	Y472-F505 HydrophobicContact CD2-CE2 4.03Å; Y472-F505 AromaticContact CD2-CZ 3.67Å; Y472-F505 HydrophobicContact CD2-CZ 3.67Å; Y472-F505 HydrophobicContact CE1-CE2 4.34Å; Y472-F505 AromaticContact CE2-CE2 3.46Å; Y472-F505 HydrophobicContact CE2-CE2 3.46Å; Y472-F505 VanDerWaalsContact CE2-CE2 3.46Å; Y472-F505 AromaticContact CE2-CZ 3.6Å; Y472-F505 HydrophobicContact CE2-CZ 3.6Å; Y472-F505 HydrophobicContact CG-CZ 4.21Å; Y472-F505 AromaticContact CZ-CE2 3.62Å; L475-F505 HydrophobicContact CB-CE1 3.96Å; L475-F505 HydrophobicContact CB-CZ 4.26Å; L475-F505 HydrophobicContact CD1-CE1 4.28Å; F500-F505 HydrophobicContact CB-CB 4.07Å; F500-F505 HydrophobicContact CB-CD2 3.96Å; F500-F505 HydrophobicContact CB-CG 3.93Å; F500-F505 AromaticContact CD1-CD1 3.52Å; F500-F505 HydrophobicContact CD1-CD1 3.52Å; F500-F505 AromaticContact CD1-CD2 3.87Å; F500-F505 HydrophobicContact CD1-CD2 3.87Å; F500-F505 AromaticContact CD1-CE1 3.48Å; F500-F505 HydrophobicContact CD1-CE1 3.48Å; F500-F505 VanDerWaalsContact CD1-CE1 3.48Å; F500-F505 AromaticContact CD1-CE2 3.79Å; F500-F505 HydrophobicContact CD1-CE2 3.79Å; F500-F505 AromaticContact CD1-CG 3.73Å; F500-F505 HydrophobicContact CD1-CG 3.73Å; F500-F505 AromaticContact CD1-CZ 3.61Å; F500-F505 HydrophobicContact CD1-CZ 3.61Å; F500-F505 HydrophobicContact CE1-CD1 4.14Å; F500-F505 AromaticContact CE1-CE1 3.77Å; F500-F505 HydrophobicContact CE1-CE1 3.77Å; F500-F505 HydrophobicContact CE1-CZ 4.03Å; F500-F505 HydrophobicContact CG-CD1 4.35Å; F500-F505 HydrophobicContact CG-CD2 4.43Å; F500-F505 HydrophobicContact CG-CG 4.25Å; D501-F505 WeakPolarHBondContact O-CB 3.46Å; D501-F505 PolarHBondContact O-N 3Å; F505-A507 PolarHBondContact O-N 2.88Å; F505-A507 VanDerWaalsContact O-N 3.1Å; F505-V508 HydrophobicContact CD1-CB 3.79Å; F505-V508 HydrophobicContact CD1-CG1 3.77Å; F505-V508 HydrophobicContact CD1-CG2 3.97Å; F505-V508 HydrophobicContact CE1-CG1 4.13Å; F505-V508 HydrophobicContact CE1-CG2 4.5Å; F505-V508 PolarHBondContact O-N 3.43Å; F505-V508 VanDerWaalsContact O-N 3.14Å; F505-K513 HydrophobicContact CD1-CG 4.16Å; F505-K513 WeakPolarHBondContact O-CE 3.45Å
506	E	92.8	Very high	95.2	Very high	124 Å²	124	61.8 Å²	61.8	58%	0.579	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.6	-42.1	167.3	179.2	-156.7	-138.1	0	0	112.5	E502 R551 K554	E502-E506 WeakPolarHBondContact O-CB 3.48Å; E502-E506 PolarHBondContact O-N 3.09Å; E502-E506 VanDerWaalsContact O-N 3.13Å; E506-R551 IonicContact OE2-NH2 3.83Å; E506-R551 PolarHBondContact OE2-NH2 3.07Å; E506-K554 WeakPolarHBondContact OE2-CE 3.42Å; E506-K554 IonicContact OE2-NZ 3.77Å; E506-K554 PolarHBondContact OE2-NZ 2.7Å
507	A	89.6	Confident	95.5	Very high	22 Å²	22	63.1 Å²	63.1	18%	0.182	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-7.5	-171	0	0	0	0	0	114.6	F505	F505-A507 PolarHBondContact O-N 2.88Å; F505-A507 VanDerWaalsContact O-N 3.1Å
508	V	94.4	Very high	95.9	Very high	6 Å²	6	59.6 Å²	59.6	4%	0.036	29%	0.292	C	S	.	.	S	Bend	trans	-96.4	140.1	-169.2	174.9	0	0	0	0	109.7	L475 F505 A512 K513 L553	L475-V508 HydrophobicContact CB-CG2 4.48Å; L475-V508 HydrophobicContact CD1-CG1 4.27Å; L475-V508 HydrophobicContact CD2-CG1 4.14Å; F505-V508 HydrophobicContact CD1-CB 3.79Å; F505-V508 HydrophobicContact CD1-CG1 3.77Å; F505-V508 HydrophobicContact CD1-CG2 3.97Å; F505-V508 HydrophobicContact CE1-CG1 4.13Å; F505-V508 HydrophobicContact CE1-CG2 4.5Å; F505-V508 PolarHBondContact O-N 3.43Å; F505-V508 VanDerWaalsContact O-N 3.14Å; V508-A512 HydrophobicContact CG1-CB 3.56Å; V508-K513 WeakPolarHBondContact O-CE 3.46Å; V508-K513 PolarHBondContact O-NZ 3.1Å; V508-L553 HydrophobicContact CG2-CD2 4.06Å
509	S	95.4	Very high	96.1	Very high	38 Å²	38	57 Å²	57	27%	0.266	28%	0.282	S	S	.	.			trans	-64.9	152.5	-178.3	79.9	0	0	0	0	112.9	E379 E511 A512 K513	E379-S509 VanDerWaalsContact OE1-CB 3.29Å; E379-S509 WeakPolarHBondContact OE1-CB 3.08Å; E379-S509 PolarHBondContact OE1-OG 3.36Å; E379-S509 PolarHBondContact OE2-N 3.21Å; S509-E511 PolarHBondContact O-N 2.82Å; S509-A512 WeakPolarHBondContact O-CB 3.48Å; S509-A512 PolarHBondContact O-N 3.13Å; S509-A512 PolarHBondContact OG-N 2.91Å; S509-A512 VanDerWaalsContact OG-N 3.12Å; S509-K513 WeakPolarHBondContact O-CG 3.47Å; S509-K513 PolarHBondContact O-N 3.38Å; S509-K513 VanDerWaalsContact O-N 3.16Å
510	D	96.7	Very high	96.2	Very high	117 Å²	117	49.3 Å²	49.3	63%	0.626	25%	0.252	S	S	*	.	H	α-helix	trans	-71.1	-23.2	175.9	-57.6	-43.7	0	0	0	112	K513 D514	D510-K513 PolarHBondContact O-N 3.34Å; D510-K513 WeakPolarHBondContact OD1-CD 3.46Å; D510-K513 IonicContact OD1-NZ 2.75Å; D510-K513 PolarHBondContact OD1-NZ 3.39Å; D510-D514 WeakPolarHBondContact O-CB 3.29Å; D510-D514 PolarHBondContact O-N 2.97Å
511	E	97.3	Very high	96.2	Very high	81 Å²	81	48.3 Å²	48.3	38%	0.379	25%	0.25	S	S	.	.	H	α-helix	trans	-63.9	-38.2	168.6	-69.4	-173.4	-149.5	0	0	112.1	S509 F515 P537 W538 K545	S509-E511 PolarHBondContact O-N 2.82Å; E511-F515 WeakPolarHBondContact O-CB 3.49Å; E511-F515 PolarHBondContact O-N 2.85Å; E511-P537 VanDerWaalsContact OE2-C 3.27Å; E511-W538 HydrophobicContact CB-CB 4Å; E511-W538 HydrophobicContact CB-CG 4.26Å; E511-W538 VanDerWaalsContact OE2-CA 3.29Å; E511-W538 WeakPolarHBondContact OE2-CA 3.23Å; E511-W538 PolarHBondContact OE2-N 3.12Å; E511-K545 WeakPolarHBondContact OE2-CE 3.31Å; E511-K545 IonicContact OE2-NZ 3.77Å; E511-K545 PolarHBondContact OE2-NZ 3.49Å
512	A	97.6	Very high	96.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.5	-41.8	174.5	0	0	0	0	0	111.6	L475 V508 S509 F515 V516 W538	L475-A512 HydrophobicContact CD1-CB 3.92Å; L475-A512 HydrophobicContact CD2-CB 4.43Å; V508-A512 HydrophobicContact CG1-CB 3.56Å; S509-A512 WeakPolarHBondContact O-CB 3.48Å; S509-A512 PolarHBondContact O-N 3.13Å; S509-A512 PolarHBondContact OG-N 2.91Å; S509-A512 VanDerWaalsContact OG-N 3.12Å; A512-F515 PolarHBondContact O-N 3.05Å; A512-V516 WeakPolarHBondContact O-CG2 3.36Å; A512-V516 PolarHBondContact O-N 2.87Å; A512-W538 HydrophobicContact CB-CD2 4.25Å; A512-W538 HydrophobicContact CB-CG 4.4Å; A512-W538 HydrophobicContact CB-CZ2 4.03Å
513	K	98.4	Very high	96.2	Very high	44 Å²	44	47.4 Å²	47.4	19%	0.191	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-44	175.6	-64.2	168.3	-152.8	157.7	0	110.7	F500 F505 V508 S509 D510 V516 S517	F500-K513 HydrophobicContact CD1-CG 4.1Å; F500-K513 HydrophobicContact CD2-CB 4.3Å; F500-K513 HydrophobicContact CD2-CG 4.33Å; F500-K513 HydrophobicContact CE1-CB 4.06Å; F500-K513 HydrophobicContact CE1-CG 4Å; F500-K513 HydrophobicContact CE2-CB 3.79Å; F500-K513 HydrophobicContact CE2-CG 4.25Å; F500-K513 HydrophobicContact CG-CG 4.26Å; F500-K513 HydrophobicContact CZ-CB 3.66Å; F500-K513 HydrophobicContact CZ-CG 4.1Å; F500-K513 VanDerWaalsContact CZ-O 3.23Å; F500-K513 WeakPolarHBondContact CZ-O 3.32Å; F505-K513 HydrophobicContact CD1-CG 4.16Å; F505-K513 WeakPolarHBondContact O-CE 3.45Å; V508-K513 WeakPolarHBondContact O-CE 3.46Å; V508-K513 PolarHBondContact O-NZ 3.1Å; S509-K513 WeakPolarHBondContact O-CG 3.47Å; S509-K513 PolarHBondContact O-N 3.38Å; S509-K513 VanDerWaalsContact O-N 3.16Å; D510-K513 PolarHBondContact O-N 3.34Å; D510-K513 WeakPolarHBondContact OD1-CD 3.46Å; D510-K513 IonicContact OD1-NZ 2.75Å; D510-K513 PolarHBondContact OD1-NZ 3.39Å; K513-V516 PolarHBondContact O-N 3.01Å; K513-S517 VanDerWaalsContact O-CB 3.31Å; K513-S517 WeakPolarHBondContact O-CB 3.49Å; K513-S517 PolarHBondContact O-N 3.16Å; K513-S517 PolarHBondContact O-OG 3.27Å
514	D	98.6	Very high	96.3	Very high	79 Å²	79	42.7 Å²	42.7	42%	0.422	22%	0.224	S	C	.	.	H	α-helix	trans	-61.7	-45.9	175.2	-173.6	41.8	0	0	0	111.6	D510 V516 S517 N518 H536	D510-D514 WeakPolarHBondContact O-CB 3.29Å; D510-D514 PolarHBondContact O-N 2.97Å; D514-V516 PolarHBondContact O-N 2.73Å; D514-S517 PolarHBondContact O-N 3.46Å; D514-N518 PolarHBondContact O-N 3.12Å; D514-N518 PolarHBondContact O-ND2 3.2Å; D514-N518 PolarHBondContact OD1-ND2 3.43Å; D514-H536 IonicContact OD2-CE1 2.65Å; D514-H536 IonicContact OD2-NE2 3.21Å; D514-H536 PolarHBondContact OD2-NE2 2.99Å
515	F	98.8	Very high	96.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.5	-46.6	176.7	-179.7	-91.8	0	0	0	112.6	V386 T471 E511 A512 L519 M528 C533 H536 W538 L539	V386-F515 HydrophobicContact CG1-CE1 3.74Å; V386-F515 HydrophobicContact CG1-CZ 3.64Å; T471-F515 HydrophobicContact CG2-CD1 4.01Å; T471-F515 HydrophobicContact CG2-CE1 4Å; E511-F515 WeakPolarHBondContact O-CB 3.49Å; E511-F515 PolarHBondContact O-N 2.85Å; A512-F515 PolarHBondContact O-N 3.05Å; F515-L519 HydrophobicContact CD1-CD1 3.93Å; F515-L519 HydrophobicContact CE1-CD1 3.35Å; F515-L519 HydrophobicContact CE1-CG 4.49Å; F515-L519 HydrophobicContact CZ-CD1 3.76Å; F515-L519 PolarHBondContact O-N 3.34Å; F515-M528 HydrophobicContact CD2-CE 3.94Å; F515-M528 HydrophobicContact CE2-CE 4.23Å; F515-M528 HydrophobicContact CG-CE 4.41Å; F515-M528 WeakPolarHBondContact O-CE 3.42Å; F515-C533 HydrophobicContact CE2-CB 3.63Å; F515-C533 HydrophobicContact CZ-CB 3.87Å; F515-H536 HydrophobicContact CD2-CB 3.82Å; F515-H536 AromaticContact CD2-CG 3.65Å; F515-H536 AromaticContact CD2-ND1 3.64Å; F515-H536 HydrophobicContact CE2-CB 4.2Å; F515-H536 PolarHBondContact N-CE1 2.84Å; F515-W538 HydrophobicContact CB-CB 4.05Å; F515-W538 HydrophobicContact CB-CD2 4.19Å; F515-W538 HydrophobicContact CB-CE3 3.78Å; F515-W538 HydrophobicContact CB-CG 4.31Å; F515-W538 AromaticContact CD1-CE3 3.47Å; F515-W538 HydrophobicContact CD1-CE3 3.47Å; F515-W538 VanDerWaalsContact CD1-CE3 3.47Å; F515-W538 AromaticContact CD1-CZ3 3.53Å; F515-W538 HydrophobicContact CD1-CZ3 3.53Å; F515-W538 HydrophobicContact CD2-CB 4.47Å; F515-W538 AromaticContact CD2-CE3 3.8Å; F515-W538 HydrophobicContact CD2-CE3 3.8Å; F515-W538 AromaticContact CE1-CE3 3.91Å; F515-W538 HydrophobicContact CE1-CE3 3.91Å; F515-W538 AromaticContact CE1-CZ3 3.69Å; F515-W538 HydrophobicContact CE1-CZ3 3.69Å; F515-W538 HydrophobicContact CE2-CE3 4.19Å; F515-W538 HydrophobicContact CG-CD2 4.28Å; F515-W538 AromaticContact CG-CE3 3.4Å; F515-W538 HydrophobicContact CG-CE3 3.4Å; F515-W538 VanDerWaalsContact CG-CE3 3.4Å; F515-W538 AromaticContact CG-CZ3 3.99Å; F515-W538 HydrophobicContact CG-CZ3 3.99Å; F515-W538 HydrophobicContact CZ-CE3 4.25Å; F515-W538 HydrophobicContact CZ-CZ3 4.26Å; F515-L539 HydrophobicContact CD2-CG 4.42Å; F515-L539 HydrophobicContact CE2-CD1 3.69Å; F515-L539 HydrophobicContact CE2-CG 3.83Å; F515-L539 HydrophobicContact CZ-CD1 3.86Å; F515-L539 HydrophobicContact CZ-CG 4.24Å
516	V	98.6	Very high	96.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.6	-41.2	176.9	172.8	0	0	0	0	111.1	T471 Y472 L475 W498 F500 A512 K513 D514 N518 L519 I520	T471-V516 HydrophobicContact CG2-CG2 3.66Å; Y472-V516 HydrophobicContact CD2-CG1 4.11Å; L475-V516 HydrophobicContact CD1-CG2 3.93Å; W498-V516 HydrophobicContact CH2-CG1 4.1Å; W498-V516 HydrophobicContact CZ3-CG1 4.2Å; F500-V516 HydrophobicContact CE1-CB 4.21Å; F500-V516 HydrophobicContact CE1-CG1 4.09Å; F500-V516 HydrophobicContact CZ-CB 4.24Å; F500-V516 HydrophobicContact CZ-CG1 4.26Å; A512-V516 WeakPolarHBondContact O-CG2 3.36Å; A512-V516 PolarHBondContact O-N 2.87Å; K513-V516 PolarHBondContact O-N 3.01Å; D514-V516 PolarHBondContact O-N 2.73Å; V516-N518 VanDerWaalsContact C-N 3.29Å; V516-N518 PolarHBondContact O-N 2.88Å; V516-L519 PolarHBondContact O-N 3.1Å; V516-I520 HydrophobicContact CG1-CD1 3.64Å; V516-I520 HydrophobicContact CG1-CG1 4.04Å; V516-I520 PolarHBondContact O-N 3.43Å
517	S	98.4	Very high	96.8	Very high	45 Å²	45	49.7 Å²	49.7	32%	0.315	26%	0.258	S	S	.	.	H	α-helix	trans	-60.1	-39.5	178.6	-58.8	0	0	0	0	112.3	F500 K513 D514 L519 V521	F500-S517 WeakPolarHBondContact CE2-OG 3.37Å; F500-S517 WeakPolarHBondContact CZ-OG 3.15Å; K513-S517 VanDerWaalsContact O-CB 3.31Å; K513-S517 WeakPolarHBondContact O-CB 3.49Å; K513-S517 PolarHBondContact O-N 3.16Å; K513-S517 PolarHBondContact O-OG 3.27Å; D514-S517 PolarHBondContact O-N 3.46Å; S517-L519 PolarHBondContact O-N 3.31Å; S517-V521 WeakPolarHBondContact O-CG2 3.29Å
518	N	98.5	Very high	97.2	Very high	57 Å²	57	49.3 Å²	49.3	31%	0.305	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-1.8	177.2	-72.8	-81.8	0	0	0	113.7	D514 V516 M528	D514-N518 PolarHBondContact O-N 3.12Å; D514-N518 PolarHBondContact O-ND2 3.2Å; D514-N518 PolarHBondContact OD1-ND2 3.43Å; V516-N518 VanDerWaalsContact C-N 3.29Å; V516-N518 PolarHBondContact O-N 2.88Å; N518-M528 HydrophobicContact CB-CE 3.57Å; N518-M528 HydrophobicContact CB-CG 3.96Å; N518-M528 HydrophobicContact CB-SD 3.97Å; N518-M528 PolarHBondContact O-N 3.44Å
519	L	98.5	Very high	97.4	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-39.8	173.7	-80.1	179.5	0	0	0	114.2	M464 M467 F515 V516 S517 V521 R527 M528	M464-L519 HydrophobicContact CB-CD2 3.9Å; M464-L519 HydrophobicContact CE-CD2 3.78Å; M467-L519 HydrophobicContact CG-CD1 4.32Å; F515-L519 HydrophobicContact CD1-CD1 3.93Å; F515-L519 HydrophobicContact CE1-CD1 3.35Å; F515-L519 HydrophobicContact CE1-CG 4.49Å; F515-L519 HydrophobicContact CZ-CD1 3.76Å; F515-L519 PolarHBondContact O-N 3.34Å; V516-L519 PolarHBondContact O-N 3.1Å; S517-L519 PolarHBondContact O-N 3.31Å; L519-V521 PolarHBondContact O-N 2.89Å; L519-R527 VanDerWaalsContact O-CD 3.27Å; L519-R527 WeakPolarHBondContact O-CD 3.48Å; L519-R527 WeakPolarHBondContact O-CG 3.37Å; L519-M528 HydrophobicContact CD2-CB 4.07Å; L519-M528 HydrophobicContact CD2-CE 4.43Å; L519-M528 HydrophobicContact CG-CE 3.98Å
520	I	98.1	Very high	97.5	Very high	6 Å²	6	48.2 Å²	48.2	3%	0.031	25%	0.245	C	C	.	.	S	Bend	trans	-88	53.4	179.5	-46.2	-177	0	0	0	109.9	W465 P480 F481 W498 V516	W465-I520 HydrophobicContact CE3-CG2 4.15Å; W465-I520 HydrophobicContact CH2-CG2 3.76Å; W465-I520 HydrophobicContact CZ2-CG2 4.19Å; W465-I520 HydrophobicContact CZ3-CG2 3.73Å; P480-I520 HydrophobicContact CG-CD1 4.32Å; F481-I520 HydrophobicContact CE2-CG2 3.7Å; F481-I520 HydrophobicContact CZ-CG2 3.48Å; F481-I520 VanDerWaalsContact CZ-CG2 3.48Å; W498-I520 HydrophobicContact CD2-CB 4.41Å; W498-I520 HydrophobicContact CD2-CG2 4.26Å; W498-I520 HydrophobicContact CG-CG2 4.15Å; W498-I520 HydrophobicContact CZ2-CB 3.88Å; W498-I520 VanDerWaalsContact NE1-CG2 3.33Å; W498-I520 PolarHBondContact NE1-O 3.06Å; V516-I520 HydrophobicContact CG1-CD1 3.64Å; V516-I520 HydrophobicContact CG1-CG1 4.04Å; V516-I520 PolarHBondContact O-N 3.43Å
521	V	97.4	Very high	97.6	Very high	34 Å²	34	45 Å²	45	21%	0.206	24%	0.235	C	C	.	.			trans	-101.1	127.4	-179.3	-172	0	0	0	0	109.9	S517 L519 A526 R527	S517-V521 WeakPolarHBondContact O-CG2 3.29Å; L519-V521 PolarHBondContact O-N 2.89Å; V521-A526 HydrophobicContact CG1-CB 3.89Å; V521-R527 HydrophobicContact CB-CB 4.16Å; V521-R527 HydrophobicContact CB-CG 4.24Å; V521-R527 VanDerWaalsContact O-CZ 3.31Å; V521-R527 PolarHBondContact O-NE 2.61Å; V521-R527 PolarHBondContact O-NH2 3.25Å
522	K	95.6	Very high	97.7	Very high	109 Å²	109	45.5 Å²	45.5	47%	0.474	24%	0.237	S	C	.	.	S	Bend	trans	-65.9	-41.4	-177.5	-174.1	171.7	-176.8	172.8	0	113.1	P450 L494 S495 Q524 R527	P450-K522 HydrophobicContact CB-CG 4.33Å; P450-K522 HydrophobicContact CG-CG 4.25Å; L494-K522 VanDerWaalsContact O-CE 3.22Å; L494-K522 WeakPolarHBondContact O-CE 3.28Å; L494-K522 PolarHBondContact O-NZ 2.75Å; S495-K522 PolarHBondContact O-NZ 3.46Å; K522-Q524 PolarHBondContact O-N 3.09Å; K522-R527 PolarHBondContact O-NH2 2.58Å
523	D	95.3	Very high	97.7	Very high	86 Å²	86	45.5 Å²	45.5	46%	0.46	24%	0.237	S	C	.	.	S	Bend	trans	-76	113.2	167.9	-179.4	7.5	0	0	0	110.3	R525 A526 R527	D523-R525 PolarHBondContact O-N 2.84Å; D523-R525 VanDerWaalsContact O-N 3.13Å; D523-R525 VanDerWaalsContact OD1-CB 3.32Å; D523-R525 WeakPolarHBondContact OD1-CB 3.5Å; D523-R525 WeakPolarHBondContact OD1-CG 3.4Å; D523-R525 PolarHBondContact OD1-N 2.82Å; D523-A526 HydrophobicContact CB-CB 4.49Å; D523-A526 PolarHBondContact O-N 3.04Å; D523-R527 PolarHBondContact O-N 3.23Å
524	Q	94.5	Very high	97.7	Very high	38 Å²	38	44.4 Å²	44.4	18%	0.178	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.3	175.8	72.3	-166.6	84	0	0	113.4	Q457 S459 K461 K522 R527	Q457-Q524 PolarHBondContact O-NE2 3.24Å; Q457-Q524 PolarHBondContact O-OE1 3.19Å; S459-Q524 PolarHBondContact OG-NE2 2.89Å; K461-Q524 HydrophobicContact CB-CB 4.07Å; K461-Q524 WeakPolarHBondContact CB-O 3.49Å; K461-Q524 VanDerWaalsContact CG-O 3.24Å; K461-Q524 WeakPolarHBondContact CG-O 3.46Å; K522-Q524 PolarHBondContact O-N 3.09Å; Q524-R527 WeakPolarHBondContact O-CB 3.34Å
525	R	94.9	Very high	97.6	Very high	218 Å²	218	44.3 Å²	44.3	82%	0.823	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-35.5	-179.2	-59	173.2	177.6	-169.6	-0.4	112.7	D523	D523-R525 PolarHBondContact O-N 2.84Å; D523-R525 VanDerWaalsContact O-N 3.13Å; D523-R525 VanDerWaalsContact OD1-CB 3.32Å; D523-R525 WeakPolarHBondContact OD1-CB 3.5Å; D523-R525 WeakPolarHBondContact OD1-CG 3.4Å; D523-R525 PolarHBondContact OD1-N 2.82Å
526	A	97.1	Very high	97.6	Very high	64 Å²	64	45 Å²	45	53%	0.529	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-24	176.9	0	0	0	0	0	112.7	V521 D523	V521-A526 HydrophobicContact CG1-CB 3.89Å; D523-A526 HydrophobicContact CB-CB 4.49Å; D523-A526 PolarHBondContact O-N 3.04Å
527	R	98.1	Very high	97.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-57.9	141.9	176	-153.2	-178.5	-62.3	151.4	0.6	112.1	E451 K461 L519 V521 K522 D523 Q524	E451-R527 IonicContact OE1-CZ 3.71Å; E451-R527 IonicContact OE1-NH1 3.18Å; E451-R527 PolarHBondContact OE1-NH1 2.81Å; E451-R527 IonicContact OE1-NH2 2.93Å; E451-R527 IonicContact OE2-CZ 2.74Å; E451-R527 IonicContact OE2-NH1 3.65Å; E451-R527 PolarHBondContact OE2-NH1 2.78Å; E451-R527 IonicContact OE2-NH2 2.63Å; E451-R527 PolarHBondContact OE2-NH2 2.91Å; K461-R527 WeakPolarHBondContact CD-O 3.2Å; K461-R527 PolarHBondContact NZ-O 3Å; K461-R527 VanDerWaalsContact O-CD 3.32Å; K461-R527 WeakPolarHBondContact O-CD 3.22Å; K461-R527 PolarHBondContact O-NH1 2.91Å; L519-R527 VanDerWaalsContact O-CD 3.27Å; L519-R527 WeakPolarHBondContact O-CD 3.48Å; L519-R527 WeakPolarHBondContact O-CG 3.37Å; V521-R527 HydrophobicContact CB-CB 4.16Å; V521-R527 HydrophobicContact CB-CG 4.24Å; V521-R527 VanDerWaalsContact O-CZ 3.31Å; V521-R527 PolarHBondContact O-NE 2.61Å; V521-R527 PolarHBondContact O-NH2 3.25Å; K522-R527 PolarHBondContact O-NH2 2.58Å; D523-R527 PolarHBondContact O-N 3.23Å; Q524-R527 WeakPolarHBondContact O-CB 3.34Å
528	M	98.4	Very high	97.4	Very high	13 Å²	13	46.6 Å²	46.6	6%	0.064	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-64.5	151.1	173.3	-77.2	-169.4	-58.8	0	0	113.1	K461 M464 F515 N518 L519 Q532	K461-M528 WeakPolarHBondContact CD-O 3.38Å; M464-M528 WeakPolarHBondContact CB-O 3.47Å; M464-M528 WeakPolarHBondContact CG-O 3.24Å; F515-M528 HydrophobicContact CD2-CE 3.94Å; F515-M528 HydrophobicContact CE2-CE 4.23Å; F515-M528 HydrophobicContact CG-CE 4.41Å; F515-M528 WeakPolarHBondContact O-CE 3.42Å; N518-M528 HydrophobicContact CB-CE 3.57Å; N518-M528 HydrophobicContact CB-CG 3.96Å; N518-M528 HydrophobicContact CB-SD 3.97Å; N518-M528 PolarHBondContact O-N 3.44Å; L519-M528 HydrophobicContact CD2-CB 4.07Å; L519-M528 HydrophobicContact CD2-CE 4.43Å; L519-M528 HydrophobicContact CG-CE 3.98Å; M528-Q532 HydrophobicContact CB-CB 3.99Å; M528-Q532 HydrophobicContact CG-CB 3.91Å; M528-Q532 HydrophobicContact SD-CB 4.13Å
529	S	98.6	Very high	97.3	Very high	21 Å²	21	44 Å²	44	15%	0.147	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-92.3	164.6	162.3	66.4	0	0	0	0	110.8	K461 A531 Q532 C533	K461-S529 VanDerWaalsContact NZ-N 3.17Å; S529-A531 PolarHBondContact O-N 3.28Å; S529-A531 VanDerWaalsContact O-N 3.14Å; S529-Q532 WeakPolarHBondContact O-CA 3.29Å; S529-Q532 WeakPolarHBondContact O-CB 3.47Å; S529-Q532 PolarHBondContact O-N 3.25Å; S529-Q532 PolarHBondContact OG-OE1 3.25Å; S529-C533 PolarHBondContact O-N 3.42Å; S529-C533 PolarHBondContact O-SG 2.86Å
530	A	98.4	Very high	97	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-54.7	-34	177	0	0	0	0	0	113.5	I393 L394 M464 C533 L534	I393-A530 HydrophobicContact CB-CB 4.31Å; I393-A530 HydrophobicContact CG2-CB 3.99Å; L394-A530 HydrophobicContact CB-CB 3.82Å; L394-A530 HydrophobicContact CD1-CB 4.48Å; M464-A530 HydrophobicContact CE-CB 4.13Å; M464-A530 HydrophobicContact SD-CB 3.8Å; M464-A530 PolarHBondContact SD-N 2.96Å; M464-A530 VanDerWaalsContact SD-N 3.44Å; A530-C533 WeakPolarHBondContact O-CB 3.44Å; A530-C533 PolarHBondContact O-N 2.71Å; A530-L534 WeakPolarHBondContact O-CD1 3.42Å; A530-L534 WeakPolarHBondContact O-CG 3.47Å; A530-L534 PolarHBondContact O-N 3.37Å
531	A	98.4	Very high	96.5	Very high	50 Å²	50	52 Å²	52	41%	0.413	29%	0.285	S	S	.	.	H	α-helix	trans	-66.5	-37.5	174.4	0	0	0	0	0	113	L394 S529 A535	L394-A531 HydrophobicContact CD1-CB 3.88Å; L394-A531 HydrophobicContact CD2-CB 4.47Å; S529-A531 PolarHBondContact O-N 3.28Å; S529-A531 VanDerWaalsContact O-N 3.14Å; A531-A535 PolarHBondContact O-N 2.83Å
532	Q	98.5	Very high	96	Very high	92 Å²	92	51.1 Å²	51.1	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-70.5	-38.7	175.3	-64.8	171.4	-85.9	0	0	110.8	M528 S529 A535 H536	M528-Q532 HydrophobicContact CB-CB 3.99Å; M528-Q532 HydrophobicContact CG-CB 3.91Å; M528-Q532 HydrophobicContact SD-CB 4.13Å; S529-Q532 WeakPolarHBondContact O-CA 3.29Å; S529-Q532 WeakPolarHBondContact O-CB 3.47Å; S529-Q532 PolarHBondContact O-N 3.25Å; S529-Q532 PolarHBondContact OG-OE1 3.25Å; Q532-A535 CarbonylContact O-C 3.57Å; Q532-A535 PolarHBondContact O-N 2.83Å; Q532-H536 PolarHBondContact O-N 3.07Å
533	C	98.4	Very high	95.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.5	-49.2	173.7	-66.7	0	0	0	0	112.5	M464 F515 S529 A530 A535 H536 L539	M464-C533 HydrophobicContact CE-CB 4.46Å; M464-C533 WeakPolarHBondContact CE-SG 3.27Å; F515-C533 HydrophobicContact CE2-CB 3.63Å; F515-C533 HydrophobicContact CZ-CB 3.87Å; S529-C533 PolarHBondContact O-N 3.42Å; S529-C533 PolarHBondContact O-SG 2.86Å; A530-C533 WeakPolarHBondContact O-CB 3.44Å; A530-C533 PolarHBondContact O-N 2.71Å; C533-A535 PolarHBondContact O-N 2.71Å; C533-H536 WeakPolarHBondContact O-CB 3.22Å; C533-H536 PolarHBondContact O-N 3.39Å; C533-L539 WeakPolarHBondContact O-CD1 3.45Å
534	L	97.6	Very high	95	Very high	21 Å²	21	48.5 Å²	48.5	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-23.7	179.8	-70	161.8	0	0	0	113.1	R387 C390 D391 L394 A530 N540	R387-L534 HydrophobicContact CG-CD2 3.94Å; C390-L534 HydrophobicContact CB-CD1 4.26Å; C390-L534 HydrophobicContact CB-CD2 3.89Å; C390-L534 HydrophobicContact CB-CG 3.85Å; D391-L534 VanDerWaalsContact OD1-CD1 3.29Å; D391-L534 WeakPolarHBondContact OD1-CD1 3.41Å; L394-L534 HydrophobicContact CB-CD1 4.17Å; L394-L534 HydrophobicContact CD2-CD1 3.61Å; A530-L534 WeakPolarHBondContact O-CD1 3.42Å; A530-L534 WeakPolarHBondContact O-CG 3.47Å; A530-L534 PolarHBondContact O-N 3.37Å; L534-N540 PolarHBondContact O-ND2 3.16Å
535	A	97.9	Very high	94.7	Very high	76 Å²	76	47.9 Å²	47.9	63%	0.628	27%	0.273	S	S	*	.	H	α-helix	trans	-88.3	-7.3	172.1	0	0	0	0	0	113.9	A531 Q532 C533	A531-A535 PolarHBondContact O-N 2.83Å; Q532-A535 CarbonylContact O-C 3.57Å; Q532-A535 PolarHBondContact O-N 2.83Å; C533-A535 PolarHBondContact O-N 2.71Å
536	H	98.4	Very high	94.1	Very high	16 Å²	16	38.8 Å²	38.8	7%	0.074	24%	0.244	C	C	.	.	S	Bend	trans	-67.5	140.7	-176.2	-163.1	-94.7	0	0	0	111	D514 F515 Q532 C533 W538 L539 N540	D514-H536 IonicContact OD2-CE1 2.65Å; D514-H536 IonicContact OD2-NE2 3.21Å; D514-H536 PolarHBondContact OD2-NE2 2.99Å; F515-H536 HydrophobicContact CD2-CB 3.82Å; F515-H536 AromaticContact CD2-CG 3.65Å; F515-H536 AromaticContact CD2-ND1 3.64Å; F515-H536 HydrophobicContact CE2-CB 4.2Å; F515-H536 PolarHBondContact N-CE1 2.84Å; Q532-H536 PolarHBondContact O-N 3.07Å; C533-H536 WeakPolarHBondContact O-CB 3.22Å; C533-H536 PolarHBondContact O-N 3.39Å; H536-W538 WeakPolarHBondContact ND1-CB 3.4Å; H536-W538 PolarHBondContact ND1-N 2.82Å; H536-W538 PolarHBondContact O-N 3.43Å; H536-W538 VanDerWaalsContact O-N 3.12Å; H536-L539 PolarHBondContact O-N 2.98Å; H536-L539 VanDerWaalsContact O-N 3.16Å; H536-N540 PolarHBondContact O-ND2 3.4Å
537	P	96.8	Very high	93.4	Very high	78 Å²	78	41.6 Å²	41.6	51%	0.506	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-50	-41.6	178.2	-29.6	36	0	0	0	112.7	E511 L539 N540 K545	E511-P537 VanDerWaalsContact OE2-C 3.27Å; P537-L539 PolarHBondContact O-N 2.91Å; P537-N540 PolarHBondContact O-N 2.81Å; P537-K545 PolarHBondContact O-NZ 2.77Å
538	W	96.9	Very high	92.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-53.1	-46.7	-179.9	-171.9	55.8	0	0	0	114.3	E379 T382 M383 V386 T471 L475 E511 A512 F515 H536 N540 K545	E379-W538 HydrophobicContact CG-CZ2 4.08Å; E379-W538 PolarHBondContact OE1-NE1 3.42Å; T382-W538 HydrophobicContact CG2-CH2 4.03Å; T382-W538 HydrophobicContact CG2-CZ2 4.42Å; M383-W538 WeakPolarHBondContact CE-O 3.27Å; M383-W538 HydrophobicContact CG-CD2 4.16Å; M383-W538 HydrophobicContact CG-CH2 4.33Å; M383-W538 HydrophobicContact CG-CZ2 3.69Å; V386-W538 HydrophobicContact CB-CZ3 4.28Å; V386-W538 HydrophobicContact CG1-CZ3 4.14Å; V386-W538 HydrophobicContact CG2-CH2 4.31Å; V386-W538 HydrophobicContact CG2-CZ3 4.32Å; T471-W538 HydrophobicContact CG2-CH2 3.77Å; T471-W538 HydrophobicContact CG2-CZ3 3.76Å; L475-W538 HydrophobicContact CD1-CH2 4.49Å; L475-W538 HydrophobicContact CD1-CZ2 4.5Å; L475-W538 HydrophobicContact CD2-CZ2 4.08Å; E511-W538 HydrophobicContact CB-CB 4Å; E511-W538 HydrophobicContact CB-CG 4.26Å; E511-W538 VanDerWaalsContact OE2-CA 3.29Å; E511-W538 WeakPolarHBondContact OE2-CA 3.23Å; E511-W538 PolarHBondContact OE2-N 3.12Å; A512-W538 HydrophobicContact CB-CD2 4.25Å; A512-W538 HydrophobicContact CB-CG 4.4Å; A512-W538 HydrophobicContact CB-CZ2 4.03Å; F515-W538 HydrophobicContact CB-CB 4.05Å; F515-W538 HydrophobicContact CB-CD2 4.19Å; F515-W538 HydrophobicContact CB-CE3 3.78Å; F515-W538 HydrophobicContact CB-CG 4.31Å; F515-W538 AromaticContact CD1-CE3 3.47Å; F515-W538 HydrophobicContact CD1-CE3 3.47Å; F515-W538 VanDerWaalsContact CD1-CE3 3.47Å; F515-W538 AromaticContact CD1-CZ3 3.53Å; F515-W538 HydrophobicContact CD1-CZ3 3.53Å; F515-W538 HydrophobicContact CD2-CB 4.47Å; F515-W538 AromaticContact CD2-CE3 3.8Å; F515-W538 HydrophobicContact CD2-CE3 3.8Å; F515-W538 AromaticContact CE1-CE3 3.91Å; F515-W538 HydrophobicContact CE1-CE3 3.91Å; F515-W538 AromaticContact CE1-CZ3 3.69Å; F515-W538 HydrophobicContact CE1-CZ3 3.69Å; F515-W538 HydrophobicContact CE2-CE3 4.19Å; F515-W538 HydrophobicContact CG-CD2 4.28Å; F515-W538 AromaticContact CG-CE3 3.4Å; F515-W538 HydrophobicContact CG-CE3 3.4Å; F515-W538 VanDerWaalsContact CG-CE3 3.4Å; F515-W538 AromaticContact CG-CZ3 3.99Å; F515-W538 HydrophobicContact CG-CZ3 3.99Å; F515-W538 HydrophobicContact CZ-CE3 4.25Å; F515-W538 HydrophobicContact CZ-CZ3 4.26Å; H536-W538 WeakPolarHBondContact ND1-CB 3.4Å; H536-W538 PolarHBondContact ND1-N 2.82Å; H536-W538 PolarHBondContact O-N 3.43Å; H536-W538 VanDerWaalsContact O-N 3.12Å; W538-N540 VanDerWaalsContact C-N 3.26Å; W538-N540 PolarHBondContact O-N 3.44Å; W538-K545 PolarHBondContact O-NZ 2.9Å
539	L	95.1	Very high	90.9	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-82.8	2.9	-179.2	-64	-172.7	0	0	0	114.2	M383 V386 R387 F515 C533 H536 P537	M383-L539 HydrophobicContact CB-CD2 4.16Å; M383-L539 HydrophobicContact CG-CD2 4.37Å; V386-L539 HydrophobicContact CB-CD2 4.15Å; V386-L539 HydrophobicContact CG1-CD1 4.08Å; V386-L539 HydrophobicContact CG1-CD2 4.06Å; R387-L539 HydrophobicContact CB-CD1 4.39Å; F515-L539 HydrophobicContact CD2-CG 4.42Å; F515-L539 HydrophobicContact CE2-CD1 3.69Å; F515-L539 HydrophobicContact CE2-CG 3.83Å; F515-L539 HydrophobicContact CZ-CD1 3.86Å; F515-L539 HydrophobicContact CZ-CG 4.24Å; C533-L539 WeakPolarHBondContact O-CD1 3.45Å; H536-L539 PolarHBondContact O-N 2.98Å; H536-L539 VanDerWaalsContact O-N 3.16Å; P537-L539 PolarHBondContact O-N 2.91Å
540	N	91.8	Very high	89.6	Confident	54 Å²	54	57 Å²	57	29%	0.289	32%	0.315	S	S	.	.	S	Bend	trans	-113.8	164.7	-176.8	-75.6	-82.2	0	0	0	112.2	L534 H536 P537 W538 L542 K545	L534-N540 PolarHBondContact O-ND2 3.16Å; H536-N540 PolarHBondContact O-ND2 3.4Å; P537-N540 PolarHBondContact O-N 2.81Å; W538-N540 VanDerWaalsContact C-N 3.26Å; W538-N540 PolarHBondContact O-N 3.44Å; N540-L542 VanDerWaalsContact C-N 3.28Å; N540-L542 PolarHBondContact O-N 3.42Å; N540-K545 WeakPolarHBondContact O-CE 3.24Å; N540-K545 PolarHBondContact O-NZ 3.3Å
541	N	88.2	Confident	88.9	Confident	122 Å²	122	63.5 Å²	63.5	65%	0.652	34%	0.34	S	S	*	.			trans	59.3	34.2	-175.3	-55.8	-47.4	0	0	0	114.1	A543 E544 K545	N541-A543 PolarHBondContact O-N 3.41Å; N541-E544 HydrophobicContact CB-CB 4.41Å; N541-E544 WeakPolarHBondContact O-CB 3.37Å; N541-E544 PolarHBondContact O-N 3.38Å; N541-K545 PolarHBondContact O-N 2.81Å
542	L	86.7	Confident	88.4	Confident	15 Å²	15	65.9 Å²	65.9	8%	0.079	34%	0.338	C	S	.	.	H	α-helix	trans	-49.4	-46.9	-174.4	-173.5	69.1	0	0	0	113.9	L256 D258 V380 M383 V384 N540 E544 K545 A546	L256-L542 HydrophobicContact CB-CD2 4.41Å; L256-L542 HydrophobicContact CD1-CD2 4.25Å; L256-L542 HydrophobicContact CD1-CG 3.86Å; L256-L542 HydrophobicContact CD2-CD1 4.13Å; L256-L542 HydrophobicContact CD2-CD2 4.06Å; L256-L542 HydrophobicContact CD2-CG 3.84Å; L256-L542 HydrophobicContact CG-CD2 4.49Å; L256-L542 HydrophobicContact CG-CG 4.38Å; D258-L542 HydrophobicContact CB-CD2 3.81Å; V380-L542 HydrophobicContact CG1-CD1 3.95Å; M383-L542 HydrophobicContact CB-CD1 3.9Å; M383-L542 HydrophobicContact CE-CB 4.41Å; M383-L542 HydrophobicContact CE-CD1 3.43Å; M383-L542 VanDerWaalsContact CE-CD1 3.43Å; M383-L542 HydrophobicContact SD-CD1 4.36Å; V384-L542 HydrophobicContact CG2-CD1 4.06Å; V384-L542 HydrophobicContact CG2-CD2 3.9Å; N540-L542 VanDerWaalsContact C-N 3.28Å; N540-L542 PolarHBondContact O-N 3.42Å; L542-E544 VanDerWaalsContact C-N 3.32Å; L542-E544 PolarHBondContact O-N 2.88Å; L542-K545 PolarHBondContact O-N 3.49Å; L542-A546 PolarHBondContact O-N 3.04Å
543	A	84.4	Confident	88	Confident	62 Å²	62	62 Å²	62	51%	0.512	32%	0.32	S	S	.	.	H	α-helix	trans	-67.8	-25.7	178.5	0	0	0	0	0	114.3	L256 N541 K547	L256-A543 HydrophobicContact CD1-CB 4.23Å; N541-A543 PolarHBondContact O-N 3.41Å; A543-K547 WeakPolarHBondContact O-CG 3.32Å
544	E	85.6	Confident	87.5	Confident	77 Å²	77	64.8 Å²	64.8	36%	0.36	33%	0.332	S	S	.	.	H	α-helix	trans	-82.4	-30.1	173.9	-82	-60	123.6	0	0	112.4	N541 L542 K547 R548	N541-E544 HydrophobicContact CB-CB 4.41Å; N541-E544 WeakPolarHBondContact O-CB 3.37Å; N541-E544 PolarHBondContact O-N 3.38Å; L542-E544 VanDerWaalsContact C-N 3.32Å; L542-E544 PolarHBondContact O-N 2.88Å; E544-K547 WeakPolarHBondContact OE1-CE 3.25Å; E544-K547 IonicContact OE1-NZ 3.16Å; E544-K547 PolarHBondContact OE1-NZ 2.96Å; E544-R548 WeakPolarHBondContact O-CG 3.47Å; E544-R548 PolarHBondContact O-NE 3Å; E544-R548 VanDerWaalsContact O-NE 3.09Å; E544-R548 IonicContact OE2-CZ 2.91Å; E544-R548 IonicContact OE2-NE 3.52Å; E544-R548 IonicContact OE2-NH2 2.81Å; E544-R548 PolarHBondContact OE2-NH2 3.5Å
545	K	87.8	Confident	87	Confident	26 Å²	26	63.8 Å²	63.8	11%	0.113	33%	0.327	C	S	.	.	H	α-helix	trans	-74.6	-39.1	174.3	-74.1	171.6	170.9	170.5	0	112.1	V380 M383 E511 P537 W538 N540 N541 L542 K547 R548 C549	V380-K545 HydrophobicContact CG2-CB 4.4Å; M383-K545 HydrophobicContact CE-CB 4.17Å; M383-K545 HydrophobicContact CE-CD 3.36Å; M383-K545 HydrophobicContact CE-CG 4.4Å; M383-K545 HydrophobicContact SD-CD 4.07Å; E511-K545 WeakPolarHBondContact OE2-CE 3.31Å; E511-K545 IonicContact OE2-NZ 3.77Å; E511-K545 PolarHBondContact OE2-NZ 3.49Å; P537-K545 PolarHBondContact O-NZ 2.77Å; W538-K545 PolarHBondContact O-NZ 2.9Å; N540-K545 WeakPolarHBondContact O-CE 3.24Å; N540-K545 PolarHBondContact O-NZ 3.3Å; N541-K545 PolarHBondContact O-N 2.81Å; L542-K545 PolarHBondContact O-N 3.49Å; K545-K547 PolarHBondContact O-N 3.28Å; K545-R548 PolarHBondContact O-N 3.15Å; K545-C549 WeakPolarHBondContact O-CB 3.41Å; K545-C549 PolarHBondContact O-N 3.25Å
546	A	84.1	Confident	86.5	Confident	26 Å²	26	60.6 Å²	60.6	22%	0.215	30%	0.299	C	S	.	.	H	α-helix	trans	-54.3	-36.2	173.6	0	0	0	0	0	113.3	L256 V380 L542 R548	L256-A546 HydrophobicContact CD1-CB 3.89Å; L256-A546 HydrophobicContact CD2-CB 4.43Å; L256-A546 HydrophobicContact CG-CB 4.39Å; V380-A546 HydrophobicContact CG1-CB 4.1Å; L542-A546 PolarHBondContact O-N 3.04Å; A546-R548 PolarHBondContact O-N 3.4Å
547	K	81.1	Confident	86	Confident	123 Å²	123	66.2 Å²	66.2	54%	0.535	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.8	175.3	-65.4	170.9	-172.7	177.6	0	114.5	F253 A543 E544 K545	F253-K547 HydrophobicContact CE1-CG 3.78Å; F253-K547 HydrophobicContact CZ-CG 4.07Å; A543-K547 WeakPolarHBondContact O-CG 3.32Å; E544-K547 WeakPolarHBondContact OE1-CE 3.25Å; E544-K547 IonicContact OE1-NZ 3.16Å; E544-K547 PolarHBondContact OE1-NZ 2.96Å; K545-K547 PolarHBondContact O-N 3.28Å
548	R	75.5	Confident	85.7	Confident	181 Å²	181	64.8 Å²	64.8	68%	0.683	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	-28.4	-171.1	-55.5	173.9	-153.6	-168.5	1.6	112.7	E544 K545 A546	E544-R548 WeakPolarHBondContact O-CG 3.47Å; E544-R548 PolarHBondContact O-NE 3Å; E544-R548 VanDerWaalsContact O-NE 3.09Å; E544-R548 IonicContact OE2-CZ 2.91Å; E544-R548 IonicContact OE2-NE 3.52Å; E544-R548 IonicContact OE2-NH2 2.81Å; E544-R548 PolarHBondContact OE2-NH2 3.5Å; K545-R548 PolarHBondContact O-N 3.15Å; A546-R548 PolarHBondContact O-N 3.4Å
549	C	69.3	Low	85.4	Confident	48 Å²	48	64.8 Å²	64.8	32%	0.324	32%	0.316	S	S	.	.			trans	-122.1	61.2	-164.2	-61.7	0	0	0	0	112.3	V380 K545	V380-C549 HydrophobicContact CG2-CB 3.78Å; K545-C549 WeakPolarHBondContact O-CB 3.41Å; K545-C549 PolarHBondContact O-N 3.25Å
550	N	71.6	Confident	85.1	Confident	129 Å²	129	67.1 Å²	67.1	69%	0.69	33%	0.326	S	S	*	.			trans	-96.3	32.8	173.5	-161.3	22.4	0	0	0	112.9
551	R	83.8	Confident	85	Confident	136 Å²	136	71.7 Å²	71.7	51%	0.513	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-88.7	123.4	179.2	-174.3	172.3	179	-173.8	-4.1	109.9	E506 L553	E506-R551 IonicContact OE2-NH2 3.83Å; E506-R551 PolarHBondContact OE2-NH2 3.07Å; R551-L553 PolarHBondContact O-N 3.41Å
552	R	88	Confident	85.1	Confident	100 Å²	100	66.9 Å²	66.9	38%	0.377	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-60.6	127.5	171	-170.9	175.4	-175.1	158.7	4.6	109.9	E373 Y375 H376 L377 Q556	E373-R552 PolarHBondContact O-NH2 3Å; Y375-R552 PolarHBondContact O-NH2 2.7Å; H376-R552 PolarHBondContact NE2-NH1 3.27Å; H376-R552 VanDerWaalsContact NE2-NH1 3.12Å; L377-R552 CarbonylContact O-C 3.59Å; L377-R552 WeakPolarHBondContact O-CA 3.24Å; R552-Q556 VanDerWaalsContact CZ-OE1 3.26Å
553	L	89.6	Confident	85.2	Confident	10 Å²	10	66.3 Å²	66.3	5%	0.052	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-74.8	144.1	178	-67.1	177.3	0	0	0	111.2	L377 E379 L475 V508 R551 S555	L377-L553 HydrophobicContact CD2-CD1 4.36Å; L377-L553 HydrophobicContact CG-CD1 4.28Å; L377-L553 PolarHBondContact O-N 2.77Å; E379-L553 HydrophobicContact CB-CD2 4.43Å; L475-L553 HydrophobicContact CD2-CD1 4.37Å; V508-L553 HydrophobicContact CG2-CD2 4.06Å; R551-L553 PolarHBondContact O-N 3.41Å; L553-S555 WeakPolarHBondContact CB-OG 3.3Å; L553-S555 PolarHBondContact O-N 3.11Å
554	K	86.8	Confident	85.3	Confident	60 Å²	60	69.1 Å²	69.1	26%	0.261	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-18	172.2	-62.3	-178.8	-171.5	172.2	0	112.3	E503 E506 Q556 I557	E503-K554 WeakPolarHBondContact O-CD 3.15Å; E503-K554 WeakPolarHBondContact O-CE 3.33Å; E503-K554 PolarHBondContact O-NZ 2.77Å; E506-K554 WeakPolarHBondContact OE2-CE 3.42Å; E506-K554 IonicContact OE2-NZ 3.77Å; E506-K554 PolarHBondContact OE2-NZ 2.7Å; K554-Q556 VanDerWaalsContact C-N 3.3Å; K554-Q556 PolarHBondContact O-N 2.85Å; K554-I557 PolarHBondContact O-N 3.18Å
555	S	87.6	Confident	85.2	Confident	0 Å²	0	70 Å²	70	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-56.4	-35.5	-171.5	55.3	0	0	0	0	114.9	L377 L474 L475 S476 G477 L553 I557 L558 L559	L377-S555 WeakPolarHBondContact CD2-OG 3.4Å; L474-S555 WeakPolarHBondContact O-CB 3.49Å; L474-S555 PolarHBondContact O-OG 3.15Å; L475-S555 WeakPolarHBondContact O-CB 3.35Å; S476-S555 WeakPolarHBondContact O-CA 3.41Å; G477-S555 WeakPolarHBondContact CA-O 3.09Å; L553-S555 WeakPolarHBondContact CB-OG 3.3Å; L553-S555 PolarHBondContact O-N 3.11Å; S555-I557 VanDerWaalsContact C-N 3.27Å; S555-I557 PolarHBondContact O-N 2.84Å; S555-L558 PolarHBondContact O-N 3.27Å; S555-L559 WeakPolarHBondContact O-CB 3.49Å; S555-L559 PolarHBondContact O-N 2.78Å
556	Q	87.6	Confident	85	Confident	9 Å²	9	70 Å²	70	4%	0.042	32%	0.319	C	S	.	.	H	α-helix	trans	-55	-41.7	-175.9	-58	-175.1	-77	0	0	112.7	I370 Y375 L377 R552 K554 K560	I370-Q556 WeakPolarHBondContact O-CG 3.31Å; I370-Q556 PolarHBondContact O-NE2 3.38Å; Y375-Q556 PolarHBondContact O-NE2 2.88Å; Y375-Q556 PolarHBondContact O-OE1 3.49Å; L377-Q556 HydrophobicContact CB-CG 3.69Å; L377-Q556 HydrophobicContact CD2-CG 4.07Å; R552-Q556 VanDerWaalsContact CZ-OE1 3.26Å; K554-Q556 VanDerWaalsContact C-N 3.3Å; K554-Q556 PolarHBondContact O-N 2.85Å; Q556-K560 VanDerWaalsContact O-CB 3.26Å; Q556-K560 WeakPolarHBondContact O-CB 3.35Å; Q556-K560 PolarHBondContact O-N 2.92Å
557	I	87	Confident	84.9	Confident	133 Å²	133	75 Å²	75	68%	0.682	33%	0.332	S	S	*	.	H	α-helix	trans	-67.3	-46.8	-177.4	-60.9	170.8	0	0	0	110.7	K554 S555 K560 K561	K554-I557 PolarHBondContact O-N 3.18Å; S555-I557 VanDerWaalsContact C-N 3.27Å; S555-I557 PolarHBondContact O-N 2.84Å; I557-K560 PolarHBondContact O-N 3.28Å; I557-K561 PolarHBondContact O-N 2.81Å; I557-K561 VanDerWaalsContact O-N 3.12Å
558	L	90.9	Very high	84.9	Confident	49 Å²	49	78.4 Å²	78.4	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-72.5	-36.4	-178.6	-64.7	172.1	0	0	0	111.4	G477 L478 T504 S555 K561 Y562	G477-L558 CarbonylContact O-C 3.32Å; G477-L558 VanDerWaalsContact O-C 3.32Å; L478-L558 HydrophobicContact CD2-CB 4.4Å; L478-L558 HydrophobicContact CD2-CD1 4.03Å; L478-L558 HydrophobicContact CG-CD1 4.11Å; T504-L558 HydrophobicContact CG2-CD1 3.31Å; S555-L558 PolarHBondContact O-N 3.27Å; L558-K561 WeakPolarHBondContact O-CB 3.32Å; L558-K561 PolarHBondContact O-N 3.05Å; L558-Y562 PolarHBondContact O-N 3.47Å
559	L	90.8	Very high	84.8	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-67.4	-38.2	174.7	-160.8	67.8	0	0	0	111.4	F367 I370 V371 M473 G477 S555 K561 Y562 L563	F367-L559 HydrophobicContact CB-CD2 4.36Å; F367-L559 HydrophobicContact CD1-CD1 3.65Å; F367-L559 HydrophobicContact CD1-CD2 3.74Å; F367-L559 HydrophobicContact CD1-CG 4.03Å; F367-L559 HydrophobicContact CE1-CD1 3.72Å; F367-L559 HydrophobicContact CE1-CD2 4.16Å; F367-L559 HydrophobicContact CE1-CG 4.48Å; F367-L559 HydrophobicContact CG-CD2 4.06Å; I370-L559 HydrophobicContact CD1-CD2 3.75Å; I370-L559 HydrophobicContact CG1-CD2 4.01Å; V371-L559 HydrophobicContact CG1-CB 3.78Å; V371-L559 HydrophobicContact CG1-CD2 3.93Å; V371-L559 HydrophobicContact CG1-CG 3.99Å; M473-L559 HydrophobicContact CB-CD1 4.34Å; M473-L559 HydrophobicContact CE-CD1 4.1Å; G477-L559 PolarHBondContact O-N 3.32Å; S555-L559 WeakPolarHBondContact O-CB 3.49Å; S555-L559 PolarHBondContact O-N 2.78Å; L559-K561 VanDerWaalsContact C-N 3.32Å; L559-K561 PolarHBondContact O-N 2.84Å; L559-Y562 HydrophobicContact CD1-CD1 4.41Å; L559-Y562 WeakPolarHBondContact O-CB 3.3Å; L559-Y562 PolarHBondContact O-N 3.39Å; L559-L563 HydrophobicContact CG-CD1 4.44Å; L559-L563 WeakPolarHBondContact O-CB 3.41Å; L559-L563 VanDerWaalsContact O-CG 3.27Å; L559-L563 WeakPolarHBondContact O-CG 3.42Å; L559-L563 PolarHBondContact O-N 2.84Å
560	K	90.1	Very high	85	Confident	50 Å²	50	76.5 Å²	76.5	22%	0.217	33%	0.334	C	S	.	.	H	α-helix	trans	-60.3	-43	172.3	-155.6	171.4	-166.9	145.7	0	111	V371 E373 Q556 I557 L563 M564	V371-K560 HydrophobicContact CB-CB 3.93Å; V371-K560 HydrophobicContact CB-CD 4.39Å; V371-K560 HydrophobicContact CB-CG 4.01Å; V371-K560 HydrophobicContact CG1-CB 4.18Å; V371-K560 HydrophobicContact CG2-CB 4.46Å; V371-K560 HydrophobicContact CG2-CG 4.15Å; V371-K560 WeakPolarHBondContact O-CD 3.37Å; V371-K560 WeakPolarHBondContact O-CE 3.47Å; V371-K560 PolarHBondContact O-NZ 3.13Å; E373-K560 IonicContact OE1-NZ 2.84Å; E373-K560 PolarHBondContact OE1-NZ 3.25Å; Q556-K560 VanDerWaalsContact O-CB 3.26Å; Q556-K560 WeakPolarHBondContact O-CB 3.35Å; Q556-K560 PolarHBondContact O-N 2.92Å; I557-K560 PolarHBondContact O-N 3.28Å; K560-L563 PolarHBondContact O-N 3.18Å; K560-M564 HydrophobicContact CD-CE 4.44Å; K560-M564 HydrophobicContact CG-CE 4Å; K560-M564 WeakPolarHBondContact O-CG 3.4Å; K560-M564 PolarHBondContact O-N 2.9Å
561	K	89.5	Confident	85.1	Confident	149 Å²	149	75.6 Å²	75.6	65%	0.648	33%	0.329	S	S	*	.	H	α-helix	trans	-63.2	-41.7	173.8	-178	-176.7	176.5	-173.8	0	112.2	I557 L558 L559 M564 K565	I557-K561 PolarHBondContact O-N 2.81Å; I557-K561 VanDerWaalsContact O-N 3.12Å; L558-K561 WeakPolarHBondContact O-CB 3.32Å; L558-K561 PolarHBondContact O-N 3.05Å; L559-K561 VanDerWaalsContact C-N 3.32Å; L559-K561 PolarHBondContact O-N 2.84Å; K561-M564 PolarHBondContact O-N 3.12Å; K561-K565 PolarHBondContact O-N 3.43Å
562	Y	89.3	Confident	84.5	Confident	22 Å²	22	75.1 Å²	75.1	9%	0.086	33%	0.331	C	S	.	.	H	α-helix	trans	-60.2	-50	172.9	169.7	-89.7	0	0	0	111.4	E446 M473 L482 L558 L559 M564 K565 R566	E446-Y562 VanDerWaalsContact CD-OH 3.27Å; E446-Y562 PolarHBondContact OE1-OH 2.82Å; E446-Y562 VanDerWaalsContact OE2-CE2 3.32Å; E446-Y562 WeakPolarHBondContact OE2-CE2 3.28Å; E446-Y562 PolarHBondContact OE2-OH 2.97Å; M473-Y562 HydrophobicContact CE-CD1 3.78Å; M473-Y562 HydrophobicContact CE-CD2 4.06Å; M473-Y562 HydrophobicContact CE-CE1 3.5Å; M473-Y562 HydrophobicContact CE-CE2 3.78Å; M473-Y562 HydrophobicContact CE-CG 4.08Å; L482-Y562 HydrophobicContact CD2-CD2 4.02Å; L482-Y562 HydrophobicContact CD2-CE2 3.94Å; L558-Y562 PolarHBondContact O-N 3.47Å; L559-Y562 HydrophobicContact CD1-CD1 4.41Å; L559-Y562 WeakPolarHBondContact O-CB 3.3Å; L559-Y562 PolarHBondContact O-N 3.39Å; Y562-M564 VanDerWaalsContact C-N 3.32Å; Y562-M564 PolarHBondContact O-N 2.78Å; Y562-K565 PolarHBondContact O-N 2.84Å; Y562-K565 VanDerWaalsContact O-N 3.09Å; Y562-R566 WeakPolarHBondContact O-CB 3.49Å; Y562-R566 PolarHBondContact O-N 2.94Å
563	L	88.6	Confident	83.4	Confident	3 Å²	3	76 Å²	76	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-37.4	179	-68	168.9	0	0	0	111.8	F367 V371 L559 K560 R566 R567	F367-L563 HydrophobicContact CB-CD1 4.21Å; F367-L563 HydrophobicContact CB-CD2 4.26Å; F367-L563 VanDerWaalsContact O-CD1 3.24Å; F367-L563 WeakPolarHBondContact O-CD1 3.36Å; V371-L563 HydrophobicContact CB-CD1 4.41Å; V371-L563 HydrophobicContact CG1-CD1 3.9Å; V371-L563 HydrophobicContact CG2-CD1 3.67Å; L559-L563 HydrophobicContact CG-CD1 4.44Å; L559-L563 WeakPolarHBondContact O-CB 3.41Å; L559-L563 VanDerWaalsContact O-CG 3.27Å; L559-L563 WeakPolarHBondContact O-CG 3.42Å; L559-L563 PolarHBondContact O-N 2.84Å; K560-L563 PolarHBondContact O-N 3.18Å; L563-R566 PolarHBondContact O-N 3.32Å; L563-R567 VanDerWaalsContact O-CB 3.31Å; L563-R567 WeakPolarHBondContact O-CB 3.01Å; L563-R567 VanDerWaalsContact O-CG 3.25Å; L563-R567 WeakPolarHBondContact O-CG 3.35Å; L563-R567 PolarHBondContact O-N 3.21Å
564	M	85.8	Confident	82.1	Confident	121 Å²	121	78.2 Å²	78.2	60%	0.596	36%	0.361	S	S	*	.	H	α-helix	trans	-63.4	-46.3	169.6	-70.7	-166.6	-149.4	0	0	112.5	K560 K561 Y562 R566 R567 W568	K560-M564 HydrophobicContact CD-CE 4.44Å; K560-M564 HydrophobicContact CG-CE 4Å; K560-M564 WeakPolarHBondContact O-CG 3.4Å; K560-M564 PolarHBondContact O-N 2.9Å; K561-M564 PolarHBondContact O-N 3.12Å; Y562-M564 VanDerWaalsContact C-N 3.32Å; Y562-M564 PolarHBondContact O-N 2.78Å; M564-R566 VanDerWaalsContact C-N 3.3Å; M564-R566 PolarHBondContact O-N 3.33Å; M564-R567 PolarHBondContact O-N 3.29Å; M564-W568 VanDerWaalsContact O-CB 3.28Å; M564-W568 WeakPolarHBondContact O-CB 3.33Å; M564-W568 PolarHBondContact O-N 2.89Å
565	K	84.8	Confident	81.1	Confident	96 Å²	96	79.2 Å²	79.2	42%	0.417	37%	0.372	S	S	.	.	H	α-helix	trans	-58.8	-41.3	175.3	-166.3	179.9	-176.2	-176.4	0	110.5	D484 K561 Y562 K569	D484-K565 IonicContact OD1-NZ 2.67Å; D484-K565 PolarHBondContact OD1-NZ 3.42Å; K561-K565 PolarHBondContact O-N 3.43Å; Y562-K565 PolarHBondContact O-N 2.84Å; Y562-K565 VanDerWaalsContact O-N 3.09Å; K565-K569 PolarHBondContact O-N 3.2Å
566	R	84.1	Confident	79.9	Confident	24 Å²	24	80.4 Å²	80.4	9%	0.091	38%	0.381	C	S	.	.	H	α-helix	trans	-67	-48.3	177.7	178.2	176.8	154.8	-104.4	-13.5	112.6	E365 E409 Y562 L563 M564 W568 K569 K570	E365-R566 IonicContact OE1-NH2 2.66Å; E365-R566 IonicContact OE2-CZ 2.77Å; E365-R566 IonicContact OE2-NH1 3.62Å; E365-R566 PolarHBondContact OE2-NH1 2.79Å; E365-R566 IonicContact OE2-NH2 3.03Å; E365-R566 PolarHBondContact OE2-NH2 3.16Å; E409-R566 IonicContact OE1-CZ 3.55Å; E409-R566 IonicContact OE1-NE 3.4Å; E409-R566 PolarHBondContact OE1-NE 2.78Å; E409-R566 IonicContact OE1-NH2 3.32Å; E409-R566 PolarHBondContact OE1-NH2 3.07Å; E409-R566 IonicContact OE2-NE 2.77Å; E409-R566 IonicContact OE2-NH2 3.74Å; Y562-R566 WeakPolarHBondContact O-CB 3.49Å; Y562-R566 PolarHBondContact O-N 2.94Å; L563-R566 PolarHBondContact O-N 3.32Å; M564-R566 VanDerWaalsContact C-N 3.3Å; M564-R566 PolarHBondContact O-N 3.33Å; R566-W568 VanDerWaalsContact C-N 3.34Å; R566-W568 PolarHBondContact O-N 2.78Å; R566-K569 PolarHBondContact O-N 3.24Å; R566-K570 VanDerWaalsContact NH2-NZ 3.16Å; R566-K570 PolarHBondContact O-N 2.94Å
567	R	81.9	Confident	78.6	Confident	131 Å²	131	81.9 Å²	81.9	49%	0.494	39%	0.394	S	S	.	.	H	α-helix	trans	-60.7	-41.4	173.2	-74.6	171.8	172.7	-149.2	-7.1	111.5	E368 L563 M564 K570 N571	E368-R567 IonicContact OE1-CZ 2.79Å; E368-R567 IonicContact OE1-NE 2.67Å; E368-R567 PolarHBondContact OE1-NE 3.5Å; E368-R567 IonicContact OE1-NH2 3.62Å; E368-R567 PolarHBondContact OE1-NH2 2.92Å; E368-R567 IonicContact OE2-CZ 2.71Å; E368-R567 VanDerWaalsContact OE2-CZ 3.32Å; E368-R567 IonicContact OE2-NE 2.88Å; E368-R567 IonicContact OE2-NH2 3.39Å; E368-R567 PolarHBondContact OE2-NH2 3.14Å; L563-R567 VanDerWaalsContact O-CB 3.31Å; L563-R567 WeakPolarHBondContact O-CB 3.01Å; L563-R567 VanDerWaalsContact O-CG 3.25Å; L563-R567 WeakPolarHBondContact O-CG 3.35Å; L563-R567 PolarHBondContact O-N 3.21Å; M564-R567 PolarHBondContact O-N 3.29Å; R567-K570 PolarHBondContact O-N 2.64Å; R567-N571 WeakPolarHBondContact O-CB 3.48Å; R567-N571 PolarHBondContact O-N 3.45Å
568	W	79.6	Confident	77.5	Confident	196 Å²	196	78.2 Å²	78.2	74%	0.742	38%	0.384	S	S	*	.	H	α-helix	trans	-65.3	-46.3	175.6	-169.8	-75.3	0	0	0	112	M564 R566 K570 N571 F572	M564-W568 VanDerWaalsContact O-CB 3.28Å; M564-W568 WeakPolarHBondContact O-CB 3.33Å; M564-W568 PolarHBondContact O-N 2.89Å; R566-W568 VanDerWaalsContact C-N 3.34Å; R566-W568 PolarHBondContact O-N 2.78Å; W568-K570 VanDerWaalsContact C-N 3.35Å; W568-K570 PolarHBondContact O-N 3.45Å; W568-N571 PolarHBondContact O-N 2.8Å; W568-F572 VanDerWaalsContact O-CB 3.22Å; W568-F572 WeakPolarHBondContact O-CB 3.41Å; W568-F572 PolarHBondContact O-N 3.24Å
569	K	75.1	Confident	76.1	Confident	84 Å²	84	80.3 Å²	80.3	37%	0.365	40%	0.395	S	S	.	.	H	α-helix	trans	-54	-48.8	173.1	-81.6	-168.7	173.2	-170.3	0	110.7	D484 K565 R566 F572 I573	D484-K569 PolarHBondContact O-NZ 3.17Å; K565-K569 PolarHBondContact O-N 3.2Å; R566-K569 PolarHBondContact O-N 3.24Å; K569-F572 PolarHBondContact O-N 2.91Å; K569-I573 WeakPolarHBondContact O-CD1 3.29Å; K569-I573 VanDerWaalsContact O-CG1 3.3Å; K569-I573 WeakPolarHBondContact O-CG1 3.46Å; K569-I573 PolarHBondContact O-N 2.76Å; K569-I573 VanDerWaalsContact O-N 3.11Å
570	K	72.9	Confident	75	Confident	105 Å²	105	88.8 Å²	88.8	46%	0.457	43%	0.427	S	S	.	.	H	α-helix	trans	-56.6	-52.2	175.9	-73.3	178.5	177.9	178.1	0	112.3	E409 R566 R567 W568 I573 A574	E409-K570 IonicContact OE1-NZ 3.87Å; E409-K570 PolarHBondContact OE1-NZ 3.17Å; R566-K570 VanDerWaalsContact NH2-NZ 3.16Å; R566-K570 PolarHBondContact O-N 2.94Å; R567-K570 PolarHBondContact O-N 2.64Å; W568-K570 VanDerWaalsContact C-N 3.35Å; W568-K570 PolarHBondContact O-N 3.45Å; K570-I573 PolarHBondContact O-N 3.22Å; K570-A574 PolarHBondContact O-N 3.19Å; K570-A574 VanDerWaalsContact O-N 3.15Å
571	N	73.8	Confident	73.7	Confident	110 Å²	110	93.1 Å²	93.1	59%	0.588	45%	0.446	S	S	*	.	H	α-helix	trans	-67.9	-38.1	-177.6	-71.6	-16.3	0	0	0	113	R567 W568 I573 A574 V575	R567-N571 WeakPolarHBondContact O-CB 3.48Å; R567-N571 PolarHBondContact O-N 3.45Å; W568-N571 PolarHBondContact O-N 2.8Å; N571-I573 VanDerWaalsContact C-N 3.35Å; N571-I573 PolarHBondContact O-N 3.34Å; N571-A574 PolarHBondContact O-N 3.45Å; N571-V575 WeakPolarHBondContact O-CG2 3.44Å; N571-V575 PolarHBondContact O-N 3.12Å
572	F	70	Confident	72.4	Confident	126 Å²	126	93.2 Å²	93.2	55%	0.553	45%	0.447	S	S	*	.	H	α-helix	trans	-64	-39.1	176.8	178.6	-97.3	0	0	0	111.9	W568 K569 S576	W568-F572 VanDerWaalsContact O-CB 3.22Å; W568-F572 WeakPolarHBondContact O-CB 3.41Å; W568-F572 PolarHBondContact O-N 3.24Å; K569-F572 PolarHBondContact O-N 2.91Å; F572-S576 WeakPolarHBondContact O-CB 3.28Å; F572-S576 PolarHBondContact O-N 3.45Å; F572-S576 PolarHBondContact O-OG 3.21Å
573	I	65.3	Low	71.2	Confident	117 Å²	117	99 Å²	99	60%	0.6	47%	0.472	S	S	*	.	H	α-helix	trans	-63.3	-45.7	173.3	-68.6	165.4	0	0	0	110.2	K569 K570 N571 S576 A577	K569-I573 WeakPolarHBondContact O-CD1 3.29Å; K569-I573 VanDerWaalsContact O-CG1 3.3Å; K569-I573 WeakPolarHBondContact O-CG1 3.46Å; K569-I573 PolarHBondContact O-N 2.76Å; K569-I573 VanDerWaalsContact O-N 3.11Å; K570-I573 PolarHBondContact O-N 3.22Å; N571-I573 VanDerWaalsContact C-N 3.35Å; N571-I573 PolarHBondContact O-N 3.34Å; I573-S576 PolarHBondContact O-N 2.84Å; I573-A577 WeakPolarHBondContact O-CB 3.41Å; I573-A577 PolarHBondContact O-N 3.39Å
574	A	62.3	Low	70	Confident	57 Å²	57	103.1 Å²	103.1	47%	0.471	49%	0.494	S	S	.	.	H	α-helix	trans	-61	-46	177.7	0	0	0	0	0	112.7	K570 N571 A577 A578	K570-A574 PolarHBondContact O-N 3.19Å; K570-A574 VanDerWaalsContact O-N 3.15Å; N571-A574 PolarHBondContact O-N 3.45Å; A574-A577 PolarHBondContact O-N 3.37Å; A574-A578 WeakPolarHBondContact O-CB 3.47Å; A574-A578 PolarHBondContact O-N 3.39Å
575	V	66.9	Low	68.5	Low	82 Å²	82	101.2 Å²	101.2	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-65.3	-38.9	175.3	172	0	0	0	0	111.5	N571 A577 A578 N579	N571-V575 WeakPolarHBondContact O-CG2 3.44Å; N571-V575 PolarHBondContact O-N 3.12Å; V575-A577 VanDerWaalsContact C-N 3.34Å; V575-A577 PolarHBondContact O-N 3.39Å; V575-A578 PolarHBondContact O-N 3.44Å; V575-N579 WeakPolarHBondContact O-CB 3.4Å; V575-N579 PolarHBondContact O-N 2.9Å; V575-N579 PolarHBondContact O-ND2 3.4Å
576	S	62.6	Low	67	Low	25 Å²	25	101 Å²	101	18%	0.175	50%	0.503	C	S	.	.	H	α-helix	trans	-68.6	-30.6	176.4	-65.6	0	0	0	0	113.2	F572 I573 R580	F572-S576 WeakPolarHBondContact O-CB 3.28Å; F572-S576 PolarHBondContact O-N 3.45Å; F572-S576 PolarHBondContact O-OG 3.21Å; I573-S576 PolarHBondContact O-N 2.84Å; S576-R580 WeakPolarHBondContact O-CB 3.28Å; S576-R580 WeakPolarHBondContact O-CG 3.21Å; S576-R580 PolarHBondContact O-N 2.83Å; S576-R580 PolarHBondContact O-NE 2.85Å
577	A	59.4	Low	65.4	Low	39 Å²	39	103.9 Å²	103.9	32%	0.322	53%	0.526	S	S	.	.	H	α-helix	trans	-72.1	-48.8	170.6	0	0	0	0	0	110.5	I573 A574 V575 N579 R580 F581	I573-A577 WeakPolarHBondContact O-CB 3.41Å; I573-A577 PolarHBondContact O-N 3.39Å; A574-A577 PolarHBondContact O-N 3.37Å; V575-A577 VanDerWaalsContact C-N 3.34Å; V575-A577 PolarHBondContact O-N 3.39Å; A577-N579 VanDerWaalsContact C-N 3.31Å; A577-N579 PolarHBondContact O-N 2.85Å; A577-R580 WeakPolarHBondContact O-CA 3.45Å; A577-R580 WeakPolarHBondContact O-CB 3.26Å; A577-R580 PolarHBondContact O-N 3.09Å; A577-F581 VanDerWaalsContact O-CD2 3.23Å; A577-F581 WeakPolarHBondContact O-CD2 3.33Å; A577-F581 PolarHBondContact O-N 2.94Å
578	A	63.4	Low	63.8	Low	57 Å²	57	99.4 Å²	99.4	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-58.2	-40.2	176.8	0	0	0	0	0	112.5	A574 V575 F581 K582	A574-A578 WeakPolarHBondContact O-CB 3.47Å; A574-A578 PolarHBondContact O-N 3.39Å; V575-A578 PolarHBondContact O-N 3.44Å; A578-F581 PolarHBondContact O-N 3.39Å; A578-K582 VanDerWaalsContact O-CB 3.31Å; A578-K582 WeakPolarHBondContact O-CB 3.22Å; A578-K582 PolarHBondContact O-N 3.43Å
579	N	62.9	Low	62.3	Low	93 Å²	93	92.7 Å²	92.7	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-69.8	-33.3	174.6	-76.9	-27.5	0	0	0	112.8	V575 A577 K583	V575-N579 WeakPolarHBondContact O-CB 3.4Å; V575-N579 PolarHBondContact O-N 2.9Å; V575-N579 PolarHBondContact O-ND2 3.4Å; A577-N579 VanDerWaalsContact C-N 3.31Å; A577-N579 PolarHBondContact O-N 2.85Å; N579-K583 WeakPolarHBondContact O-CB 3.38Å; N579-K583 PolarHBondContact O-N 3.22Å
580	R	67.7	Low	60.8	Low	177 Å²	177	95.4 Å²	95.4	67%	0.668	53%	0.525	S	S	*	.	H	α-helix	trans	-65.8	-46.1	170.5	-81.8	-178.9	-109.9	-150.3	-2.2	111.6	S576 A577 K583 I584	S576-R580 WeakPolarHBondContact O-CB 3.28Å; S576-R580 WeakPolarHBondContact O-CG 3.21Å; S576-R580 PolarHBondContact O-N 2.83Å; S576-R580 PolarHBondContact O-NE 2.85Å; A577-R580 WeakPolarHBondContact O-CA 3.45Å; A577-R580 WeakPolarHBondContact O-CB 3.26Å; A577-R580 PolarHBondContact O-N 3.09Å; R580-K583 PolarHBondContact O-N 3.1Å; R580-I584 VanDerWaalsContact O-CG1 3.32Å; R580-I584 WeakPolarHBondContact O-CG1 3.42Å; R580-I584 PolarHBondContact O-N 2.66Å
581	F	61.1	Low	59.5	Low	141 Å²	141	98.8 Å²	98.8	62%	0.618	55%	0.545	S	S	*	.	H	α-helix	trans	-60.5	-47.7	173.5	-77.4	-66.3	0	0	0	111.9	A577 A578 K583 I584 S585	A577-F581 VanDerWaalsContact O-CD2 3.23Å; A577-F581 WeakPolarHBondContact O-CD2 3.33Å; A577-F581 PolarHBondContact O-N 2.94Å; A578-F581 PolarHBondContact O-N 3.39Å; F581-K583 VanDerWaalsContact C-N 3.27Å; F581-K583 PolarHBondContact O-N 3.03Å; F581-I584 PolarHBondContact O-N 2.83Å; F581-I584 VanDerWaalsContact O-N 3.12Å; F581-S585 PolarHBondContact O-N 3.45Å; F581-S585 PolarHBondContact O-OG 2.66Å
582	K	63.6	Low	58.2	Low	151 Å²	151	97.4 Å²	97.4	66%	0.657	55%	0.549	S	S	*	.	H	α-helix	trans	-57	-41.1	175.2	-172.2	177.5	-178.9	-179.6	0	111.6	A578 S585 S586	A578-K582 VanDerWaalsContact O-CB 3.31Å; A578-K582 WeakPolarHBondContact O-CB 3.22Å; A578-K582 PolarHBondContact O-N 3.43Å; K582-S585 PolarHBondContact O-N 3.18Å; K582-S586 VanDerWaalsContact O-CB 3.3Å; K582-S586 WeakPolarHBondContact O-CB 3.36Å; K582-S586 PolarHBondContact O-N 3.12Å; K582-S586 PolarHBondContact O-OG 3.17Å; K582-S586 VanDerWaalsContact O-OG 3.05Å
583	K	63.3	Low	56.8	Low	143 Å²	143	99.3 Å²	99.3	62%	0.622	56%	0.564	S	S	*	*	H	α-helix	trans	-62.3	-48.4	174.8	-171.1	172.8	-178.9	178.3	0	111.5	N579 R580 F581 S585 S586 S587	N579-K583 WeakPolarHBondContact O-CB 3.38Å; N579-K583 PolarHBondContact O-N 3.22Å; R580-K583 PolarHBondContact O-N 3.1Å; F581-K583 VanDerWaalsContact C-N 3.27Å; F581-K583 PolarHBondContact O-N 3.03Å; K583-S585 VanDerWaalsContact C-N 3.35Å; K583-S585 PolarHBondContact O-N 3.13Å; K583-S586 WeakPolarHBondContact CA-OG 3.36Å; K583-S586 PolarHBondContact O-N 2.73Å; K583-S586 PolarHBondContact O-OG 3.41Å; K583-S587 VanDerWaalsContact O-CB 3.28Å; K583-S587 WeakPolarHBondContact O-CB 3.47Å; K583-S587 PolarHBondContact O-N 3.4Å; K583-S587 PolarHBondContact O-OG 2.75Å; K583-S587 VanDerWaalsContact O-OG 3.12Å
584	I	63.8	Low	55.8	Low	91 Å²	91	97.1 Å²	97.1	47%	0.467	57%	0.57	S	S	.	*	H	α-helix	trans	-58.3	-45.4	177.2	-67.6	161.8	0	0	0	111.1	R580 F581	R580-I584 VanDerWaalsContact O-CG1 3.32Å; R580-I584 WeakPolarHBondContact O-CG1 3.42Å; R580-I584 PolarHBondContact O-N 2.66Å; F581-I584 PolarHBondContact O-N 2.83Å; F581-I584 VanDerWaalsContact O-N 3.12Å
585	S	54.1	Low	54.8	Low	81 Å²	81	104.7 Å²	104.7	57%	0.566	61%	0.61	S	S	*	*	H	α-helix	trans	-66	-39.9	175.7	-57.7	0	0	0	0	112.9	F581 K582 K583	F581-S585 PolarHBondContact O-N 3.45Å; F581-S585 PolarHBondContact O-OG 2.66Å; K582-S585 PolarHBondContact O-N 3.18Å; K583-S585 VanDerWaalsContact C-N 3.35Å; K583-S585 PolarHBondContact O-N 3.13Å
586	S	52.4	Low	54.2	Low	91 Å²	91	105.8 Å²	105.8	64%	0.636	62%	0.616	S	S	*	*	H	α-helix	trans	-75.4	-25.8	179	65.8	0	0	0	0	114	K582 K583 G588	K582-S586 VanDerWaalsContact O-CB 3.3Å; K582-S586 WeakPolarHBondContact O-CB 3.36Å; K582-S586 PolarHBondContact O-N 3.12Å; K582-S586 PolarHBondContact O-OG 3.17Å; K582-S586 VanDerWaalsContact O-OG 3.05Å; K583-S586 WeakPolarHBondContact CA-OG 3.36Å; K583-S586 PolarHBondContact O-N 2.73Å; K583-S586 PolarHBondContact O-OG 3.41Å; S586-G588 PolarHBondContact O-N 2.83Å
587	S	50.9	Low	53.7	Low	84 Å²	84	110.1 Å²	110.1	59%	0.587	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	10.7	178.4	-68.9	0	0	0	0	113.3	K583 A589	K583-S587 VanDerWaalsContact O-CB 3.28Å; K583-S587 WeakPolarHBondContact O-CB 3.47Å; K583-S587 PolarHBondContact O-N 3.4Å; K583-S587 PolarHBondContact O-OG 2.75Å; K583-S587 VanDerWaalsContact O-OG 3.12Å; S587-A589 PolarHBondContact O-N 3.44Å
588	G	49.7	Very low	53.4	Low	38 Å²	38	114 Å²	114	39%	0.392	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	69	5.8	169.9	0	0	0	0	0	115.9	S586 L590 M591	S586-G588 PolarHBondContact O-N 2.83Å; G588-L590 PolarHBondContact O-N 2.87Å; G588-L590 VanDerWaalsContact O-N 3.1Å; G588-M591 WeakPolarHBondContact O-CB 3.22Å; G588-M591 PolarHBondContact O-N 3.28Å
589	A	46.8	Very low	52.8	Low	55 Å²	55	117.4 Å²	117.4	46%	0.455	67%	0.667	S	S	.	*	G	3₁₀ helix	trans	-59.2	-27.1	-176.5	0	0	0	0	0	113.3	S587 M591 A592	S587-A589 PolarHBondContact O-N 3.44Å; A589-M591 PolarHBondContact O-N 3.05Å; A589-A592 WeakPolarHBondContact O-CB 3.38Å; A589-A592 PolarHBondContact O-N 2.99Å; A589-A592 VanDerWaalsContact O-N 3.11Å
590	L	44.4	Very low	52.2	Low	140 Å²	140	118.9 Å²	118.9	73%	0.733	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-75.2	-6.7	175.7	-116.3	146.2	0	0	0	114.2	G588	G588-L590 PolarHBondContact O-N 2.87Å; G588-L590 VanDerWaalsContact O-N 3.1Å
591	M	45.7	Very low	51.2	Low	176 Å²	176	115 Å²	115	87%	0.867	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-98.2	0.4	167.1	-69.9	-70.7	-175.3	0	0	112.6	G588 A589	G588-M591 WeakPolarHBondContact O-CB 3.22Å; G588-M591 PolarHBondContact O-N 3.28Å; A589-M591 PolarHBondContact O-N 3.05Å
592	A	45.3	Very low	50.5	Low	82 Å²	82	113.1 Å²	113.1	68%	0.678	68%	0.683	S	S	*	*	S	Bend	trans	-91.4	-12.9	178.7	0	0	0	0	0	113.7	A589	A589-A592 WeakPolarHBondContact O-CB 3.38Å; A589-A592 PolarHBondContact O-N 2.99Å; A589-A592 VanDerWaalsContact O-N 3.11Å
593	L	40.8	Very low	49.5	Very low	166 Å²	166	110.2 Å²	110.2	87%	0.869	69%	0.685	S	S	*	*			trans	-100.6	69.4	169.3	-71.7	173	0	0	0	109.6
594	G	44	Very low	48.3	Very low	70 Å²	70	107.5 Å²	107.5	72%	0.722	69%	0.69	S	S	*	*			trans	-108.2	70.1	176.6	0	0	0	0	0	112.3
595	V	41.8	Very low	46.9	Very low	216 Å²	216	109 Å²	109	100%	1.309	71%	0.71	S	S	*	*			trans	-135.7	0	162.9	-179.2	0	0	0	0	107.3

Retrieved 595 of 595 residues in 1011.3 ms (Link to these results)

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