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AMP deaminase

AMP deaminase plays a critical role in energy metabolism. Catalyzes the deamination of AMP to IMP and plays an important role in the purine nucleotide cycle.

AlphaFold DB , UniProt , Accession X2JEY5, Species DROME (Drosophila melanogaster, Fruit fly), Gene AMPdeam, Length 798 aa.

Structure Viewer

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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	29.7	Very low	28.6	Very low	252 Å²	252	160.9 Å²	160.9	100%	1.241	87%	0.871	S	S	*	*				0	146.4	0	-77.8	167.4	170.8	0	0	108.2
2	S	30.5	Very low	28.8	Very low	99 Å²	99	153.8 Å²	153.8	69%	0.692	86%	0.863	S	S	*	*			trans	-87.4	142.2	-163.7	177.7	0	0	0	0	112.9
3	Y	29.4	Very low	28.8	Very low	237 Å²	237	150.6 Å²	150.6	93%	0.929	86%	0.857	S	S	*	*				-155.2	119.4	118.5	-105.2	-73.3	0	0	0	110.5
4	R	25.7	Very low	29	Very low	242 Å²	242	148.6 Å²	148.6	91%	0.913	85%	0.853	S	S	*	*			trans	-136.7	118.9	171.6	-164.1	-177.2	-165.9	-173.1	5.5	106
5	G	32.3	Very low	29	Very low	77 Å²	77	147 Å²	147	79%	0.794	85%	0.846	S	S	*	*			trans	-137.5	135.5	-176.5	0	0	0	0	0	110.4
6	M	28.2	Very low	28.9	Very low	176 Å²	176	148.9 Å²	148.9	87%	0.867	85%	0.845	S	S	*	*			trans	-96	145.5	-172.5	-67.5	176.4	173.1	0	0	112.7
7	L	26.3	Very low	28.7	Very low	160 Å²	160	149.4 Å²	149.4	84%	0.838	84%	0.844	S	S	*	*			trans	31.3	119.8	135.8	-60.1	166	0	0	0	119.5
8	S	30	Very low	28.5	Very low	127 Å²	127	153.3 Å²	153.3	89%	0.888	84%	0.843	S	S	*	*			trans	-144.2	157.5	130	69.4	0	0	0	0	110.5
9	T	26	Very low	28.4	Very low	126 Å²	126	152.2 Å²	152.2	77%	0.773	84%	0.841	S	S	*	*			trans	-122.4	136.4	-167.9	49.3	0	0	0	0	111.6
10	S	28.7	Very low	28.3	Very low	106 Å²	106	152 Å²	152	74%	0.741	83%	0.833	S	S	*	*			trans	-178.7	144.2	143.2	50.8	0	0	0	0	112.3
11	D	27.5	Very low	28.1	Very low	168 Å²	168	150.7 Å²	150.7	90%	0.898	83%	0.825	S	S	*	*			trans	62.8	82	153	-55.7	-12.1	0	0	0	119.1
12	G	31.1	Very low	28	Very low	76 Å²	76	144.9 Å²	144.9	78%	0.784	80%	0.804	S	S	*	*			trans	-135.6	109.2	154.1	0	0	0	0	0	109.5
13	S	29.5	Very low	27.7	Very low	112 Å²	112	147.4 Å²	147.4	78%	0.783	81%	0.81	S	S	*	*			trans	-67.3	132.1	-179.9	41.1	0	0	0	0	111.5	V15	S13-V15 PolarHBondContact O-N 3.21Å
14	P	31.5	Very low	27.5	Very low	123 Å²	123	140.1 Å²	140.1	80%	0.799	79%	0.794	S	S	*	*			trans	-68.4	126.4	170.7	29	-32.2	0	0	0	109	E16	P14-E16 PolarHBondContact O-N 3.08Å
15	V	29.1	Very low	27.6	Very low	124 Å²	124	136.3 Å²	136.3	75%	0.752	78%	0.784	S	S	*	*			trans	-68.8	115.6	169.1	173.1	0	0	0	0	107.6	S13 L17	S13-V15 PolarHBondContact O-N 3.21Å; V15-L17 VanDerWaalsContact C-N 3.34Å; V15-L17 PolarHBondContact O-N 2.79Å
16	E	27	Very low	27.4	Very low	177 Å²	177	139.6 Å²	139.6	83%	0.827	78%	0.783	S	S	*	*			trans	-62.5	95.4	168.5	-75.2	-172.8	140.4	0	0	109.6	P14 R18	P14-E16 PolarHBondContact O-N 3.08Å; E16-R18 VanDerWaalsContact C-N 3.27Å; E16-R18 PolarHBondContact O-N 2.68Å
17	L	25.7	Very low	27.3	Very low	158 Å²	158	134.6 Å²	134.6	83%	0.827	78%	0.776	S	S	*	*			trans	-69	90.9	160.9	-82.3	165.1	0	0	0	108	V15 V19	V15-L17 VanDerWaalsContact C-N 3.34Å; V15-L17 PolarHBondContact O-N 2.79Å; L17-V19 PolarHBondContact O-N 3.06Å
18	R	25.6	Very low	27.3	Very low	219 Å²	219	130.9 Å²	130.9	83%	0.826	76%	0.764	S	S	*	*			trans	-56.2	105.8	163.7	-90.1	-176.9	170.5	-178.8	-4	108.8	E16 Q20	E16-R18 VanDerWaalsContact C-N 3.27Å; E16-R18 PolarHBondContact O-N 2.68Å; R18-Q20 PolarHBondContact O-N 2.63Å; R18-Q20 VanDerWaalsContact O-N 3.09Å
19	V	26	Very low	27.3	Very low	132 Å²	132	133.7 Å²	133.7	80%	0.8	77%	0.765	S	S	*	*			trans	-63.9	106.3	160.9	178.4	0	0	0	0	106.6	L17	L17-V19 PolarHBondContact O-N 3.06Å
20	Q	25.9	Very low	27.3	Very low	149 Å²	149	134.4 Å²	134.4	70%	0.696	76%	0.761	S	S	*	*			trans	-90.1	120.3	170.3	-68.4	-167.5	-89.1	0	0	109.1	R18	R18-Q20 PolarHBondContact O-N 2.63Å; R18-Q20 VanDerWaalsContact O-N 3.09Å
21	D	25	Very low	27.3	Very low	124 Å²	124	135.1 Å²	135.1	66%	0.663	77%	0.766	S	S	*	*			trans	58.4	85.5	144.3	-44.7	-30.9	0	0	0	117	D23	D21-D23 VanDerWaalsContact C-N 3.31Å; D21-D23 PolarHBondContact O-N 2.78Å
22	V	26.6	Very low	27.3	Very low	131 Å²	131	135.5 Å²	135.5	79%	0.794	76%	0.762	S	S	*	*			trans	-92.9	65.5	156.6	-170.2	0	0	0	0	109.1	S24	V22-S24 PolarHBondContact O-N 3.28Å
23	D	23.9	Very low	27.3	Very low	151 Å²	151	136.5 Å²	136.5	81%	0.807	76%	0.764	S	S	*	*			trans	-79.6	100.9	172	-90.4	-22.7	0	0	0	110.1	D21	D21-D23 VanDerWaalsContact C-N 3.31Å; D21-D23 PolarHBondContact O-N 2.78Å
24	S	26.5	Very low	27.3	Very low	85 Å²	85	135.5 Å²	135.5	59%	0.594	76%	0.762	S	S	*	*			trans	-171	49.2	159.3	45.4	0	0	0	0	115.3	V22	V22-S24 PolarHBondContact O-N 3.28Å
25	F	28	Very low	27.4	Very low	161 Å²	161	136.1 Å²	136.1	71%	0.706	76%	0.764	S	S	*	*			trans	-143.7	89.5	160.7	-96.8	-75.6	0	0	0	111.4	G27	F25-G27 PolarHBondContact O-N 3.32Å
26	D	26.8	Very low	27.5	Very low	147 Å²	147	138 Å²	138	79%	0.786	77%	0.77	S	S	*	*			trans	-86.5	104.2	172.7	-165	1.8	0	0	0	110.5	S28	D26-S28 PolarHBondContact O-N 3.38Å
27	G	27.4	Very low	27.8	Very low	70 Å²	70	134.8 Å²	134.8	72%	0.722	77%	0.773	S	S	*	*			trans	-90.1	84.6	-179.3	0	0	0	0	0	112	F25 M29	F25-G27 PolarHBondContact O-N 3.32Å; G27-M29 PolarHBondContact O-N 2.86Å
28	S	24.8	Very low	28.1	Very low	82 Å²	82	132.5 Å²	132.5	57%	0.573	78%	0.777	S	S	*	*			trans	-65.9	94.8	174	157.1	0	0	0	0	112.2	D26	D26-S28 PolarHBondContact O-N 3.38Å
29	M	30	Very low	28.4	Very low	187 Å²	187	125.6 Å²	125.6	92%	0.921	77%	0.774	S	S	*	*			trans	-134.6	119.1	153.1	-91.5	-157.2	167.9	0	0	112.2	G27	G27-M29 PolarHBondContact O-N 2.86Å
30	M	26.6	Very low	29	Very low	140 Å²	140	124.6 Å²	124.6	69%	0.69	77%	0.77	S	S	*	*			trans	-73.9	138.9	174.4	-67.2	-179.2	170.2	0	0	111.5
31	S	29.4	Very low	29.1	Very low	121 Å²	121	126.1 Å²	126.1	85%	0.846	78%	0.782	S	S	*	*			trans	-123.3	116	150.8	62.7	0	0	0	0	109.6
32	H	28.1	Very low	29.5	Very low	176 Å²	176	124.2 Å²	124.2	82%	0.815	79%	0.791	S	S	*	*			trans	-82.1	129.3	176.2	-85.2	-75.4	0	0	0	111.1
33	A	30.5	Very low	29.6	Very low	98 Å²	98	123 Å²	123	81%	0.81	79%	0.789	S	S	*	*			trans	-148.6	119.1	144.7	0	0	0	0	0	109.5
34	A	28.8	Very low	30.1	Very low	90 Å²	90	125.4 Å²	125.4	74%	0.744	79%	0.792	S	S	*	*			trans	-72.3	159.7	168.9	0	0	0	0	0	109.4
35	T	33.8	Very low	30.5	Very low	137 Å²	137	126.1 Å²	126.1	84%	0.84	80%	0.804	S	S	*	*				-153.3	150.1	71.7	43.4	0	0	0	0	115.1
36	N	30.4	Very low	30.8	Very low	164 Å²	164	124.5 Å²	124.5	88%	0.877	81%	0.812	S	S	*	*			trans	-68.3	152.2	175.9	-59.6	-49.9	0	0	0	114.7
37	A	34.3	Very low	31.1	Very low	108 Å²	108	120.5 Å²	120.5	89%	0.893	81%	0.806	S	S	*	*			trans	-156.5	135.9	131.1	0	0	0	0	0	110.3
38	A	32.7	Very low	31.4	Very low	110 Å²	110	127.6 Å²	127.6	91%	0.909	82%	0.817	S	S	*	*			trans	-110	159.2	-177.1	0	0	0	0	0	112.3
39	G	31	Very low	31.7	Very low	74 Å²	74	128.3 Å²	128.3	76%	0.763	82%	0.822	S	S	*	*			trans	-167.4	116.8	171.6	0	0	0	0	0	112.8
40	P	37.8	Very low	31.9	Very low	112 Å²	112	126.4 Å²	126.4	73%	0.727	81%	0.814	S	S	*	*			trans	-113.6	155.3	-178	38.8	-31	0	0	0	115.4
41	L	29.8	Very low	32.3	Very low	181 Å²	181	126.4 Å²	126.4	95%	0.948	82%	0.817	S	S	*	*			trans	64.6	122.8	150.5	-69.1	160.6	0	0	0	121
42	G	31.5	Very low	32.5	Very low	83 Å²	83	125 Å²	125	86%	0.856	81%	0.813	S	S	*	*			trans	176.3	118.8	162	0	0	0	0	0	113.6
43	S	29.5	Very low	32.6	Very low	106 Å²	106	122.6 Å²	122.6	74%	0.741	82%	0.815	S	S	*	*			trans	-126	145.3	-169.7	62.4	0	0	0	0	114.4
44	K	33.8	Very low	32.5	Very low	201 Å²	201	124 Å²	124	87%	0.874	81%	0.813	S	S	*	*				166.1	141.1	127.6	-95.1	170.8	179.5	178.7	0	116.5
45	A	34.9	Very low	32.6	Very low	101 Å²	101	125.6 Å²	125.6	84%	0.835	82%	0.819	S	S	*	*			trans	65	142.8	147.8	0	0	0	0	0	119.8
46	S	35.6	Very low	32.3	Very low	126 Å²	126	127.9 Å²	127.9	88%	0.881	82%	0.822	S	S	*	*			cis	-163.3	174.8	-3.5	61.6	0	0	0	0	109.3
47	G	31.6	Very low	32.4	Very low	64 Å²	64	126 Å²	126	66%	0.66	82%	0.822	S	S	*	*			cis	157.2	164.4	-3.3	0	0	0	0	0	113.1
48	K	34.1	Very low	32.1	Very low	219 Å²	219	129.5 Å²	129.5	95%	0.952	82%	0.822	S	S	*	*			trans	77.5	140.5	-175	-53.9	-179.2	178.8	179.4	0	114.5
49	S	32.6	Very low	32.5	Very low	96 Å²	96	129.3 Å²	129.3	67%	0.671	81%	0.812	S	S	*	*			cis	-156.9	136.8	27.6	171.9	0	0	0	0	114.4
50	L	33.8	Very low	32.5	Very low	147 Å²	147	135 Å²	135	77%	0.77	82%	0.819	S	S	*	*			trans	35.6	139.3	139.1	-55.5	161.4	0	0	0	120.3
51	N	34.3	Very low	32.2	Very low	140 Å²	140	139.2 Å²	139.2	75%	0.749	83%	0.826	S	S	*	*			cis	-155.7	150.9	22.3	-102.6	-28.4	0	0	0	114
52	A	33.1	Very low	32.7	Very low	92 Å²	92	135.8 Å²	135.8	76%	0.76	81%	0.814	S	S	*	*			trans	6	158.7	142.8	0	0	0	0	0	122.5
53	C	30.3	Very low	32.8	Very low	126 Å²	126	137 Å²	137	85%	0.851	81%	0.809	S	S	*	*			cis	-156.1	169.3	9.9	-150.7	0	0	0	0	112.7
54	T	29.3	Very low	33	Very low	126 Å²	126	136.4 Å²	136.4	77%	0.773	81%	0.805	S	S	*	*			trans	-107.6	156.3	-177.8	33.8	0	0	0	0	114.9
55	S	31.4	Very low	32.9	Very low	125 Å²	125	133.4 Å²	133.4	87%	0.874	80%	0.798	S	S	*	*			trans	140.6	156.5	132.2	66.3	0	0	0	0	115.4
56	M	27.5	Very low	32.7	Very low	184 Å²	184	139.8 Å²	139.8	91%	0.906	80%	0.8	S	S	*	*			trans	-102.6	150	-168.8	-62.1	174.8	167.6	0	0	113.4
57	S	31	Very low	32.6	Very low	125 Å²	125	137.4 Å²	137.4	87%	0.874	79%	0.788	S	S	*	*				166.2	157.2	122.8	48	0	0	0	0	113.1
58	M	28.8	Very low	32.5	Very low	181 Å²	181	140.6 Å²	140.6	89%	0.892	80%	0.795	S	S	*	*			trans	-105.7	-173.2	-173.7	-80.5	-154.6	-170.1	0	0	111.9
59	P	40.3	Very low	32.4	Very low	106 Å²	106	135 Å²	135	69%	0.688	78%	0.782	S	S	*	*			cis	-133.4	174.5	-35.3	28.2	-8.2	0	0	0	114.1
60	Q	30.8	Very low	32.3	Very low	194 Å²	194	137.2 Å²	137.2	91%	0.907	79%	0.787	S	S	*	*				163.2	158.6	125.3	-86	-174.8	4.5	0	0	114.9
61	K	31.8	Very low	32.4	Very low	201 Å²	201	138.7 Å²	138.7	87%	0.874	80%	0.795	S	S	*	*			trans	-78.9	176.5	-175.1	-97.7	176.6	-179.9	177.7	0	112.9
62	P	39.8	Very low	32.4	Very low	109 Å²	109	136 Å²	136	71%	0.708	79%	0.792	S	S	*	*			cis	-159	178.4	43	43.2	-19.5	0	0	0	121.7
63	S	34.3	Very low	32.4	Very low	107 Å²	107	138.8 Å²	138.8	75%	0.748	79%	0.794	S	S	*	*			trans	44.8	151	143.9	58.5	0	0	0	0	123.2
64	S	33.4	Very low	32.6	Very low	94 Å²	94	138 Å²	138	66%	0.657	79%	0.79	S	S	*	*			cis	-178	153.3	-4.1	47.6	0	0	0	0	109
65	L	32.3	Very low	32.9	Very low	138 Å²	138	137.6 Å²	137.6	72%	0.723	79%	0.789	S	S	*	*				165.4	139.2	100	-95.9	153	0	0	0	113.1
66	R	31.4	Very low	33.1	Very low	235 Å²	235	137.5 Å²	137.5	89%	0.887	78%	0.783	S	S	*	*			trans	49	149.2	141.8	-76.5	-178.2	179.1	168.9	-1.6	122.3
67	A	32	Very low	33.4	Very low	76 Å²	76	136 Å²	136	63%	0.628	78%	0.779	S	S	*	*			cis	-168.9	167.9	-3.4	0	0	0	0	0	114.4
68	T	30	Very low	33.2	Very low	132 Å²	132	139.1 Å²	139.1	81%	0.81	78%	0.779	S	S	*	*			trans	76.9	129.1	145.1	36.9	0	0	0	0	125.4
69	C	31.4	Very low	33.4	Very low	101 Å²	101	140.4 Å²	140.4	68%	0.682	78%	0.78	S	S	*	*			trans	89.5	104.3	141	-70.3	0	0	0	0	123.6
70	D	30.7	Very low	33	Very low	143 Å²	143	140.2 Å²	140.2	77%	0.765	79%	0.788	S	S	*	*				55.7	125.2	118.6	-46.8	-36.5	0	0	0	123.1
71	L	35.5	Very low	32.8	Very low	178 Å²	178	140.7 Å²	140.7	93%	0.932	79%	0.79	S	S	*	*				-167	158.9	111.8	-100.8	166	0	0	0	112.8
72	A	34.5	Very low	33	Very low	83 Å²	83	135.3 Å²	135.3	69%	0.686	78%	0.783	S	S	*	*			trans	-81.4	-178.1	-172	0	0	0	0	0	113
73	D	34.7	Very low	32.7	Very low	151 Å²	151	137.4 Å²	137.4	81%	0.807	79%	0.788	S	S	*	*			cis	-167	172.6	28.6	-154.1	-4.5	0	0	0	114.3
74	S	33.6	Very low	32.6	Very low	109 Å²	109	139 Å²	139	76%	0.762	79%	0.793	S	S	*	*			trans	94	142.4	159.8	74.1	0	0	0	0	121
75	P	36	Very low	32.6	Very low	118 Å²	118	142.8 Å²	142.8	77%	0.766	80%	0.8	S	S	*	*			trans	-129.4	-174.3	-155.6	38.6	-18.1	0	0	0	114.9
76	V	34.8	Very low	32.6	Very low	123 Å²	123	141.8 Å²	141.8	75%	0.745	80%	0.8	S	S	*	*			trans	169.6	126.2	130.1	155.1	0	0	0	0	111.9
77	D	33.8	Very low	32.7	Very low	152 Å²	152	136.2 Å²	136.2	81%	0.813	79%	0.792	S	S	*	*			trans	49.7	96.5	157.7	-60	-18.7	0	0	0	123.1
78	E	27.8	Very low	32.6	Very low	190 Å²	190	140 Å²	140	89%	0.888	80%	0.801	S	S	*	*			trans	-85.2	135.4	139.7	-68.8	178.5	141.3	0	0	110.7
79	K	32	Very low	32.9	Very low	209 Å²	209	142.5 Å²	142.5	91%	0.909	80%	0.804	S	S	*	*			trans	177.3	107.9	138.1	-103.9	165.8	-175.9	174.2	0	112.8
80	A	32.8	Very low	32.9	Very low	102 Å²	102	145.9 Å²	145.9	84%	0.843	81%	0.813	S	S	*	*			trans	161.8	61.5	132.9	0	0	0	0	0	111.8
81	E	26.8	Very low	33.2	Very low	203 Å²	203	144.4 Å²	144.4	95%	0.949	81%	0.814	S	S	*	*			trans	-92.8	131.5	152.8	-72.2	-169.9	148.1	0	0	108.2
82	A	35.3	Very low	32.8	Very low	88 Å²	88	140.2 Å²	140.2	73%	0.727	81%	0.805	S	S	*	*			trans	-147.2	112.8	171.7	0	0	0	0	0	109.9
83	D	33.7	Very low	33.2	Very low	154 Å²	154	141.7 Å²	141.7	82%	0.824	81%	0.808	S	S	*	*			trans	58	90.2	148.3	-51.2	-29.1	0	0	0	119.3	E85	D83-E85 PolarHBondContact O-N 3.37Å
84	V	31.8	Very low	33.2	Very low	140 Å²	140	145.2 Å²	145.2	85%	0.848	81%	0.811	S	S	*	*			trans	-85	91.8	151.9	179.2	0	0	0	0	108.4	V86	V84-V86 HydrophobicContact CG1-CG2 3.96Å
85	E	34.3	Very low	33.5	Very low	174 Å²	174	148.5 Å²	148.5	81%	0.813	82%	0.815	S	S	*	*			trans	-95.1	112	171.7	-163.3	170.3	-140.8	0	0	110.3	D83	D83-E85 PolarHBondContact O-N 3.37Å
86	V	31.3	Very low	33.7	Very low	117 Å²	117	148.9 Å²	148.9	71%	0.709	82%	0.815	S	S	*	*			trans	-94.4	102.6	-176.9	-172.9	0	0	0	0	109.8	V84	V84-V86 HydrophobicContact CG1-CG2 3.96Å
87	T	34.1	Very low	34.2	Very low	118 Å²	118	146.7 Å²	146.7	72%	0.724	80%	0.803	S	S	*	*			trans	-103.6	117.2	171.9	45.6	0	0	0	0	111.4	E89	T87-E89 PolarHBondContact O-N 3.06Å
88	N	30	Very low	35.2	Very low	155 Å²	155	148 Å²	148	83%	0.829	80%	0.804	S	S	*	*			trans	-80.7	108.5	170.8	-77.6	-46.3	0	0	0	109.6
89	E	35.5	Very low	36.2	Very low	184 Å²	184	144.8 Å²	144.8	86%	0.86	79%	0.788	S	S	*	*			trans	-128.2	116.6	158.5	-71.9	-158.5	160.6	0	0	111.6	T87	T87-E89 PolarHBondContact O-N 3.06Å
90	I	32.7	Very low	37.7	Very low	172 Å²	172	138.5 Å²	138.5	88%	0.882	77%	0.768	S	S	*	*			trans	-92.3	104.5	173.3	-58.4	169	0	0	0	107
91	S	35.4	Very low	39.3	Very low	112 Å²	112	139.6 Å²	139.6	78%	0.783	76%	0.759	S	S	*	*			trans	-151.3	131.6	162.8	-87.3	0	0	0	0	110.8
92	A	29.1	Very low	41.3	Very low	90 Å²	90	136.4 Å²	136.4	74%	0.744	74%	0.744	S	S	*	*			trans	-67.9	135.5	-178.6	0	0	0	0	0	110.7	Y94	A92-Y94 PolarHBondContact O-N 3.49Å
93	P	41.1	Very low	42.8	Very low	114 Å²	114	137.2 Å²	137.2	74%	0.74	73%	0.732	S	S	*	*			trans	-75.1	111.2	175.7	30.2	-32	0	0	0	109.5	E95	P93-E95 PolarHBondContact O-N 2.98Å; P93-E95 VanDerWaalsContact O-N 3.17Å
94	Y	34.5	Very low	44.4	Very low	225 Å²	225	133.4 Å²	133.4	88%	0.882	71%	0.711	S	S	*	*			trans	-64.4	105.7	142.6	-78.8	-89.8	0	0	0	106.2	A92 V96	A92-Y94 PolarHBondContact O-N 3.49Å; Y94-V96 PolarHBondContact O-N 2.89Å
95	E	41.4	Very low	46.3	Very low	179 Å²	179	132.1 Å²	132.1	84%	0.836	70%	0.696	S	S	*	*			trans	-60.8	102.8	172.8	-77.4	-167.4	140.3	0	0	109.3	P93 P97	P93-E95 PolarHBondContact O-N 2.98Å; P93-E95 VanDerWaalsContact O-N 3.17Å; E95-P97 WeakPolarHBondContact O-CD 3.45Å
96	V	40.4	Very low	48.3	Very low	125 Å²	125	129.9 Å²	129.9	76%	0.758	68%	0.684	S	S	*	*			trans	-63.9	122.4	162.6	-178.4	0	0	0	0	106.3	Y94 Q98	Y94-V96 PolarHBondContact O-N 2.89Å; V96-Q98 PolarHBondContact O-N 2.99Å
97	P	45	Very low	49.9	Very low	77 Å²	77	130.2 Å²	130.2	50%	0.5	68%	0.675	S	S	.	*			trans	-58.4	128.4	-176.2	-24.3	33.3	0	0	0	110.9	E95 F99 I104	E95-P97 WeakPolarHBondContact O-CD 3.45Å; P97-F99 PolarHBondContact O-N 3.49Å; P97-I104 HydrophobicContact CB-CD1 3.91Å; P97-I104 HydrophobicContact CG-CD1 4.43Å
98	Q	54.3	Low	51.7	Low	180 Å²	180	128.5 Å²	128.5	84%	0.841	66%	0.661	S	S	*	*	S	Bend	trans	-65.6	4.2	179.3	-72.4	-174.5	-18.3	0	0	114.2	V96	V96-Q98 PolarHBondContact O-N 2.99Å
99	F	48.7	Very low	53.7	Low	123 Å²	123	127.2 Å²	127.2	54%	0.539	65%	0.65	S	S	.	*	S	Bend	trans	-138.9	142.8	-178.8	-57.4	-74.5	0	0	0	110.1	P97 Q103	P97-F99 PolarHBondContact O-N 3.49Å; F99-Q103 HydrophobicContact CB-CB 4.3Å; F99-Q103 VanDerWaalsContact CD1-OE1 3.31Å
100	P	64.3	Low	55.5	Low	77 Å²	77	123.1 Å²	123.1	50%	0.5	63%	0.633	S	S	.	*			trans	-54	145.7	173.7	-25.2	33.8	0	0	0	112.1	E102 Q103 I104	P100-E102 PolarHBondContact O-N 3.06Å; P100-E102 VanDerWaalsContact O-N 3.09Å; P100-Q103 WeakPolarHBondContact O-CB 3.42Å; P100-Q103 PolarHBondContact O-N 2.85Å; P100-I104 PolarHBondContact O-N 3.28Å
101	I	65.9	Low	57	Low	125 Å²	125	116.2 Å²	116.2	64%	0.641	60%	0.597	S	S	*	*	H	α-helix	trans	-51.6	-38.7	-178.7	-65.2	170.5	0	0	0	111.4	Q103 I104 E105	I101-Q103 VanDerWaalsContact C-N 3.25Å; I101-Q103 PolarHBondContact O-N 3.12Å; I101-I104 WeakPolarHBondContact O-CB 3.49Å; I101-I104 PolarHBondContact O-N 3.45Å; I101-E105 HydrophobicContact CG2-CG 4.29Å; I101-E105 PolarHBondContact O-N 3.26Å
102	E	69.1	Low	58.7	Low	136 Å²	136	119 Å²	119	64%	0.636	59%	0.59	S	S	*	*	H	α-helix	trans	-57.1	-31.4	175.8	-59.1	179.7	178.3	0	0	114.3	P100 K106	P100-E102 PolarHBondContact O-N 3.06Å; P100-E102 VanDerWaalsContact O-N 3.09Å; E102-K106 WeakPolarHBondContact O-CB 3.35Å; E102-K106 WeakPolarHBondContact O-CG 3.39Å; E102-K106 PolarHBondContact O-N 2.86Å
103	Q	66.6	Low	60.8	Low	105 Å²	105	119.4 Å²	119.4	49%	0.491	58%	0.577	S	S	.	*	H	α-helix	trans	-75.8	-35.9	176.2	-64.5	-170.1	-2.1	0	0	111.4	F99 P100 I101 K106 K107	F99-Q103 HydrophobicContact CB-CB 4.3Å; F99-Q103 VanDerWaalsContact CD1-OE1 3.31Å; P100-Q103 WeakPolarHBondContact O-CB 3.42Å; P100-Q103 PolarHBondContact O-N 2.85Å; I101-Q103 VanDerWaalsContact C-N 3.25Å; I101-Q103 PolarHBondContact O-N 3.12Å; Q103-K106 PolarHBondContact O-N 3.45Å; Q103-K107 WeakPolarHBondContact O-CB 3.36Å; Q103-K107 PolarHBondContact O-N 3.21Å
104	I	67	Low	62.1	Low	73 Å²	73	116.1 Å²	116.1	37%	0.374	55%	0.553	S	S	.	*	H	α-helix	trans	-66.3	-45	173	-58	176.1	0	0	0	109.4	P97 P100 I101 K106 K107 L108	P97-I104 HydrophobicContact CB-CD1 3.91Å; P97-I104 HydrophobicContact CG-CD1 4.43Å; P100-I104 PolarHBondContact O-N 3.28Å; I101-I104 WeakPolarHBondContact O-CB 3.49Å; I101-I104 PolarHBondContact O-N 3.45Å; I104-K106 PolarHBondContact O-N 3.25Å; I104-K107 PolarHBondContact O-N 2.92Å; I104-L108 HydrophobicContact CG2-CD1 4Å; I104-L108 HydrophobicContact CG2-CG 4.47Å; I104-L108 WeakPolarHBondContact O-CB 3.41Å; I104-L108 VanDerWaalsContact O-CG 3.31Å; I104-L108 WeakPolarHBondContact O-CG 3.46Å; I104-L108 PolarHBondContact O-N 2.97Å
105	E	72	Confident	63.7	Low	113 Å²	113	107.9 Å²	107.9	53%	0.528	52%	0.524	S	S	.	.	H	α-helix	trans	-61.4	-42.5	174.6	-71.9	-166.1	150.3	0	0	112.6	I101 L108 Q109	I101-E105 HydrophobicContact CG2-CG 4.29Å; I101-E105 PolarHBondContact O-N 3.26Å; E105-L108 CarbonylContact O-C 3.55Å; E105-L108 PolarHBondContact O-N 3.14Å; E105-Q109 WeakPolarHBondContact O-CB 3.43Å; E105-Q109 WeakPolarHBondContact O-CG 3.32Å; E105-Q109 PolarHBondContact O-N 3.44Å
106	K	75.1	Confident	64.8	Low	128 Å²	128	104.7 Å²	104.7	56%	0.557	51%	0.509	S	S	*	.	H	α-helix	trans	-62.4	-43.1	173.3	-81	174.5	179.1	169	0	112.4	E102 Q103 I104 L108 Q109 I110	E102-K106 WeakPolarHBondContact O-CB 3.35Å; E102-K106 WeakPolarHBondContact O-CG 3.39Å; E102-K106 PolarHBondContact O-N 2.86Å; Q103-K106 PolarHBondContact O-N 3.45Å; I104-K106 PolarHBondContact O-N 3.25Å; K106-L108 VanDerWaalsContact C-N 3.33Å; K106-L108 PolarHBondContact O-N 2.87Å; K106-Q109 PolarHBondContact O-N 3.47Å; K106-I110 WeakPolarHBondContact O-CG1 3.23Å; K106-I110 PolarHBondContact O-N 2.59Å
107	K	65.9	Low	65.9	Low	124 Å²	124	105 Å²	105	54%	0.539	50%	0.5	S	S	.	.	H	α-helix	trans	-63.6	-39.3	176.2	-162.9	175.1	-177.2	-179.2	0	111.2	Q103 I104 Q111	Q103-K107 WeakPolarHBondContact O-CB 3.36Å; Q103-K107 PolarHBondContact O-N 3.21Å; I104-K107 PolarHBondContact O-N 2.92Å; K107-Q111 WeakPolarHBondContact O-CB 3.2Å; K107-Q111 PolarHBondContact O-N 2.89Å
108	L	71.4	Confident	66.5	Low	81 Å²	81	104.5 Å²	104.5	42%	0.424	49%	0.492	S	S	.	.	H	α-helix	trans	-67.9	-38.6	173.6	-73.6	169.7	0	0	0	113	I104 E105 K106 Q111 R112	I104-L108 HydrophobicContact CG2-CD1 4Å; I104-L108 HydrophobicContact CG2-CG 4.47Å; I104-L108 WeakPolarHBondContact O-CB 3.41Å; I104-L108 VanDerWaalsContact O-CG 3.31Å; I104-L108 WeakPolarHBondContact O-CG 3.46Å; I104-L108 PolarHBondContact O-N 2.97Å; E105-L108 CarbonylContact O-C 3.55Å; E105-L108 PolarHBondContact O-N 3.14Å; K106-L108 VanDerWaalsContact C-N 3.33Å; K106-L108 PolarHBondContact O-N 2.87Å; L108-Q111 PolarHBondContact O-N 3.25Å; L108-R112 WeakPolarHBondContact O-CG 3.32Å; L108-R112 PolarHBondContact O-N 3.11Å
109	Q	71.8	Confident	66.6	Low	128 Å²	128	99.7 Å²	99.7	60%	0.598	48%	0.483	S	S	*	.	H	α-helix	trans	-64.1	-46.5	174.4	-81	-176.6	-7.3	0	0	111.3	E105 K106 Q111 R112 H113	E105-Q109 WeakPolarHBondContact O-CB 3.43Å; E105-Q109 WeakPolarHBondContact O-CG 3.32Å; E105-Q109 PolarHBondContact O-N 3.44Å; K106-Q109 PolarHBondContact O-N 3.47Å; Q109-Q111 VanDerWaalsContact C-N 3.29Å; Q109-Q111 PolarHBondContact O-N 3.4Å; Q109-R112 PolarHBondContact O-N 3.21Å; Q109-H113 WeakPolarHBondContact O-CB 3.37Å; Q109-H113 PolarHBondContact O-N 3.27Å
110	I	73.7	Confident	66.8	Low	99 Å²	99	99.6 Å²	99.6	51%	0.508	49%	0.492	S	S	.	.	H	α-helix	trans	-59.6	-42.7	174.5	-67.3	166	0	0	0	110.2	K106 H113 L114	K106-I110 WeakPolarHBondContact O-CG1 3.23Å; K106-I110 PolarHBondContact O-N 2.59Å; I110-H113 PolarHBondContact O-N 2.95Å; I110-L114 HydrophobicContact CG2-CD1 4.09Å; I110-L114 WeakPolarHBondContact O-CB 3.47Å; I110-L114 WeakPolarHBondContact O-CG 3.45Å; I110-L114 PolarHBondContact O-N 2.85Å
111	Q	65	Low	65.9	Low	27 Å²	27	97.4 Å²	97.4	13%	0.126	48%	0.483	C	S	.	.	H	α-helix	trans	-64.6	-41.4	176.2	-171.2	172.1	45.5	0	0	112.7	K107 L108 Q109 L114 N115 L327 K331	K107-Q111 WeakPolarHBondContact O-CB 3.2Å; K107-Q111 PolarHBondContact O-N 2.89Å; L108-Q111 PolarHBondContact O-N 3.25Å; Q109-Q111 VanDerWaalsContact C-N 3.29Å; Q109-Q111 PolarHBondContact O-N 3.4Å; Q111-L114 PolarHBondContact O-N 3.29Å; Q111-N115 WeakPolarHBondContact O-CB 3.49Å; Q111-N115 PolarHBondContact O-N 2.96Å; Q111-N115 PolarHBondContact O-OD1 2.98Å; Q111-L327 VanDerWaalsContact NE2-CD2 3.34Å; Q111-K331 VanDerWaalsContact NE2-NZ 3.16Å
112	R	71.1	Confident	64.9	Low	169 Å²	169	96.8 Å²	96.8	64%	0.638	49%	0.487	S	S	*	.	H	α-helix	trans	-60.1	-46.2	173.3	-75.8	178.9	-175.1	-180	3.5	111.2	L108 Q109 L114 N115 E116	L108-R112 WeakPolarHBondContact O-CG 3.32Å; L108-R112 PolarHBondContact O-N 3.11Å; Q109-R112 PolarHBondContact O-N 3.21Å; R112-L114 VanDerWaalsContact C-N 3.32Å; R112-L114 PolarHBondContact O-N 3.1Å; R112-N115 WeakPolarHBondContact O-CB 3.47Å; R112-N115 PolarHBondContact O-N 2.9Å; R112-E116 WeakPolarHBondContact O-CB 3.29Å; R112-E116 WeakPolarHBondContact O-CG 3.24Å; R112-E116 PolarHBondContact O-N 3.43Å
113	H	72	Confident	63.6	Low	100 Å²	100	100.6 Å²	100.6	46%	0.463	50%	0.496	S	S	.	.	H	α-helix	trans	-67.8	-30.9	-178.8	-154.7	71.5	0	0	0	113	Q109 I110 E116 K117	Q109-H113 WeakPolarHBondContact O-CB 3.37Å; Q109-H113 PolarHBondContact O-N 3.27Å; I110-H113 PolarHBondContact O-N 2.95Å; H113-E116 IonicContact ND1-OE2 3.46Å; H113-K117 WeakPolarHBondContact NE2-CE 3.32Å; H113-K117 WeakPolarHBondContact O-CG 3.21Å; H113-K117 PolarHBondContact O-N 3.21Å
114	L	68.9	Low	62.5	Low	45 Å²	45	98.3 Å²	98.3	24%	0.236	49%	0.49	C	S	.	.	H	α-helix	trans	-69.2	-45.6	169.3	-75.9	169.5	0	0	0	111.9	I110 Q111 R112 E116 K117 Q118 L324 R325	I110-L114 HydrophobicContact CG2-CD1 4.09Å; I110-L114 WeakPolarHBondContact O-CB 3.47Å; I110-L114 WeakPolarHBondContact O-CG 3.45Å; I110-L114 PolarHBondContact O-N 2.85Å; Q111-L114 PolarHBondContact O-N 3.29Å; R112-L114 VanDerWaalsContact C-N 3.32Å; R112-L114 PolarHBondContact O-N 3.1Å; L114-E116 PolarHBondContact O-N 3.18Å; L114-K117 PolarHBondContact O-N 3.13Å; L114-Q118 PolarHBondContact O-N 3.29Å; L114-L324 HydrophobicContact CD1-CB 4.05Å; L114-R325 HydrophobicContact CD2-CG 4.41Å
115	N	68.1	Low	61.2	Low	52 Å²	52	100.3 Å²	100.3	28%	0.278	51%	0.505	S	S	.	.	H	α-helix	trans	-60.7	-43.5	176.7	-69.4	-1.9	0	0	0	111.5	Q111 R112 Q118 A119 A328	Q111-N115 WeakPolarHBondContact O-CB 3.49Å; Q111-N115 PolarHBondContact O-N 2.96Å; Q111-N115 PolarHBondContact O-OD1 2.98Å; R112-N115 WeakPolarHBondContact O-CB 3.47Å; R112-N115 PolarHBondContact O-N 2.9Å; N115-Q118 PolarHBondContact O-N 2.83Å; N115-A119 VanDerWaalsContact O-CB 3.27Å; N115-A119 WeakPolarHBondContact O-CB 3.38Å; N115-A119 PolarHBondContact O-N 3.19Å; N115-A328 WeakPolarHBondContact OD1-CB 3.23Å
116	E	65.1	Low	59.7	Low	111 Å²	111	97 Å²	97	52%	0.519	50%	0.497	S	S	.	.	H	α-helix	trans	-59.8	-46.9	176.1	-75.9	165.7	-174.6	0	0	111.2	R112 H113 L114 Q118 A119 T120	R112-E116 WeakPolarHBondContact O-CB 3.29Å; R112-E116 WeakPolarHBondContact O-CG 3.24Å; R112-E116 PolarHBondContact O-N 3.43Å; H113-E116 IonicContact ND1-OE2 3.46Å; L114-E116 PolarHBondContact O-N 3.18Å; E116-Q118 VanDerWaalsContact C-N 3.35Å; E116-Q118 PolarHBondContact O-N 2.73Å; E116-A119 PolarHBondContact O-N 2.82Å; E116-T120 PolarHBondContact O-N 3.3Å; E116-T120 PolarHBondContact O-OG1 3.36Å; E116-T120 VanDerWaalsContact O-OG1 3.06Å
117	K	61.9	Low	58	Low	132 Å²	132	93.3 Å²	93.3	57%	0.574	49%	0.486	S	S	*	.	H	α-helix	trans	-62.8	-36.6	177.3	-77.3	-179	178.6	-178.7	0	113.5	H113 L114 T120 G121	H113-K117 WeakPolarHBondContact NE2-CE 3.32Å; H113-K117 WeakPolarHBondContact O-CG 3.21Å; H113-K117 PolarHBondContact O-N 3.21Å; L114-K117 PolarHBondContact O-N 3.13Å; K117-T120 PolarHBondContact O-OG1 3.19Å; K117-T120 VanDerWaalsContact O-OG1 3.04Å; K117-G121 PolarHBondContact O-N 3.16Å
118	Q	59.4	Low	56.6	Low	67 Å²	67	90.3 Å²	90.3	31%	0.313	48%	0.484	S	S	.	.	H	α-helix	trans	-74.3	-37	173.8	-81.3	-179.1	-15.3	0	0	112.5	L114 N115 E116 T120 G121 R325 A328	L114-Q118 PolarHBondContact O-N 3.29Å; N115-Q118 PolarHBondContact O-N 2.83Å; E116-Q118 VanDerWaalsContact C-N 3.35Å; E116-Q118 PolarHBondContact O-N 2.73Å; Q118-T120 VanDerWaalsContact C-N 3.27Å; Q118-T120 PolarHBondContact O-N 3.25Å; Q118-G121 PolarHBondContact O-N 2.92Å; Q118-G121 VanDerWaalsContact O-N 3.12Å; Q118-R325 PolarHBondContact NE2-O 3.35Å; Q118-A328 PolarHBondContact OE1-O 3.5Å
119	A	56.3	Low	54.8	Low	79 Å²	79	89.3 Å²	89.3	65%	0.653	49%	0.487	S	S	*	.	H	α-helix	trans	-67	-26.1	177.3	0	0	0	0	0	113.4	N115 E116	N115-A119 VanDerWaalsContact O-CB 3.27Å; N115-A119 WeakPolarHBondContact O-CB 3.38Å; N115-A119 PolarHBondContact O-N 3.19Å; E116-A119 PolarHBondContact O-N 2.82Å
120	T	51.8	Low	53.2	Low	121 Å²	121	87.8 Å²	87.8	74%	0.742	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.6	172.5	51.9	0	0	0	0	114.4	E116 K117 Q118	E116-T120 PolarHBondContact O-N 3.3Å; E116-T120 PolarHBondContact O-OG1 3.36Å; E116-T120 VanDerWaalsContact O-OG1 3.06Å; K117-T120 PolarHBondContact O-OG1 3.19Å; K117-T120 VanDerWaalsContact O-OG1 3.04Å; Q118-T120 VanDerWaalsContact C-N 3.27Å; Q118-T120 PolarHBondContact O-N 3.25Å
121	G	46.1	Very low	51.2	Low	30 Å²	30	89.9 Å²	89.9	31%	0.309	50%	0.498	S	S	.	.	S	Bend	trans	-73.1	168.2	171	0	0	0	0	0	112	K117 Q118 R123	K117-G121 PolarHBondContact O-N 3.16Å; Q118-G121 PolarHBondContact O-N 2.92Å; Q118-G121 VanDerWaalsContact O-N 3.12Å; G121-R123 PolarHBondContact O-N 3.06Å; G121-R123 VanDerWaalsContact O-N 3.09Å
122	P	44.2	Very low	49.7	Very low	112 Å²	112	92.4 Å²	92.4	73%	0.727	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-57.6	120.2	169.7	-15.3	27.5	0	0	0	108.6
123	R	41.6	Very low	47.8	Very low	217 Å²	217	89.7 Å²	89.7	82%	0.819	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-46.4	143.7	172.7	-83.5	-176.8	169.4	178.8	-3.5	109.4	G121 V125	G121-R123 PolarHBondContact O-N 3.06Å; G121-R123 VanDerWaalsContact O-N 3.09Å; R123-V125 WeakPolarHBondContact O-CG2 3.42Å; R123-V125 PolarHBondContact O-N 3.44Å
124	P	44.1	Very low	45.8	Very low	57 Å²	57	92.5 Å²	92.5	37%	0.37	54%	0.544	S	S	.	.			trans	-56.7	100.2	174	-22.3	32.9	0	0	0	109.8	I759	P124-I759 HydrophobicContact CB-CG2 4.46Å
125	V	39.9	Very low	43.8	Very low	114 Å²	114	101.1 Å²	101.1	69%	0.691	57%	0.574	S	S	*	*			trans	-77.1	123.4	172.2	-176.3	0	0	0	0	105.3	R123 T127	R123-V125 WeakPolarHBondContact O-CG2 3.42Å; R123-V125 PolarHBondContact O-N 3.44Å; V125-T127 PolarHBondContact O-N 3.16Å
126	A	39.5	Very low	42	Very low	44 Å²	44	108.1 Å²	108.1	36%	0.364	61%	0.605	S	S	.	*			trans	-53.8	133	177.4	0	0	0	0	0	110	A128 A129	A126-A128 HydrophobicContact CB-CB 4.3Å; A126-A128 PolarHBondContact O-N 3.18Å; A126-A129 PolarHBondContact O-N 3.32Å
127	T	40.1	Very low	40.2	Very low	50 Å²	50	108.5 Å²	108.5	31%	0.307	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-58.1	-8.7	177.6	38.7	0	0	0	0	113.8	V125 A129 V130	V125-T127 PolarHBondContact O-N 3.16Å; T127-A129 PolarHBondContact O-N 3.14Å; T127-A129 VanDerWaalsContact O-N 3.07Å; T127-V130 PolarHBondContact O-N 3.07Å
128	A	36.2	Very low	38.7	Very low	61 Å²	61	107.5 Å²	107.5	50%	0.504	63%	0.629	S	S	.	*	G	3₁₀ helix	trans	-54.2	-18.3	170.6	0	0	0	0	0	115.6	A126 V130	A126-A128 HydrophobicContact CB-CB 4.3Å; A126-A128 PolarHBondContact O-N 3.18Å; A128-V130 VanDerWaalsContact C-N 3.28Å; A128-V130 PolarHBondContact O-N 2.86Å
129	A	33.5	Very low	37.3	Very low	60 Å²	60	109.8 Å²	109.8	50%	0.496	65%	0.652	S	S	.	*	G	3₁₀ helix	trans	-68.2	-20.9	179.5	0	0	0	0	0	114.5	A126 T127 L131	A126-A129 PolarHBondContact O-N 3.32Å; T127-A129 PolarHBondContact O-N 3.14Å; T127-A129 VanDerWaalsContact O-N 3.07Å; A129-L131 PolarHBondContact O-N 3.21Å
130	V	37.7	Very low	36.1	Very low	96 Å²	96	111.8 Å²	111.8	58%	0.582	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-74.4	-23	-171	-178.6	0	0	0	0	113.4	T127 A128	T127-V130 PolarHBondContact O-N 3.07Å; A128-V130 VanDerWaalsContact C-N 3.28Å; A128-V130 PolarHBondContact O-N 2.86Å
131	L	32.8	Very low	35.1	Very low	144 Å²	144	112.8 Å²	112.8	75%	0.754	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-96.8	-3.6	-175.4	-78.9	162.3	0	0	0	114.9	A129	A129-L131 PolarHBondContact O-N 3.21Å
132	A	32.2	Very low	34.3	Very low	79 Å²	79	120.5 Å²	120.5	65%	0.653	70%	0.696	S	S	*	*	S	Bend	trans	-88.6	-7.5	-174.2	0	0	0	0	0	114.9
133	T	32.1	Very low	33.5	Very low	112 Å²	112	119.2 Å²	119.2	69%	0.687	70%	0.703	S	S	*	*	S	Bend	trans	-94.5	-5.5	-165.9	42.7	0	0	0	0	116
134	N	29.7	Very low	32.8	Very low	159 Å²	159	120.3 Å²	120.3	85%	0.85	71%	0.707	S	S	*	*	S	Bend	trans	-103.6	17.7	-175.8	-82.8	-15.6	0	0	0	115.4
135	R	27.6	Very low	31.9	Very low	227 Å²	227	126.6 Å²	126.6	86%	0.857	73%	0.731	S	S	*	*			trans	-139.2	88.4	169.8	-77.5	-172.7	173.8	165.5	1.3	111.8
136	E	29.9	Very low	31.3	Very low	199 Å²	199	126.4 Å²	126.4	93%	0.93	74%	0.735	S	S	*	*				-179.5	134.3	122.7	-100.3	168	-159.7	0	0	111.5
137	S	28.5	Very low	31	Very low	118 Å²	118	128.5 Å²	128.5	83%	0.825	75%	0.753	S	S	*	*			trans	-112.2	103.9	175.6	42.9	0	0	0	0	110.3
138	S	30.2	Very low	30.6	Very low	112 Å²	112	131.8 Å²	131.8	78%	0.783	77%	0.772	S	S	*	*			trans	-178.7	128.8	141.6	34.7	0	0	0	0	113.5
139	S	29	Very low	30.6	Very low	114 Å²	114	134.3 Å²	134.3	80%	0.797	78%	0.782	S	S	*	*			trans	24.5	106.4	154	60	0	0	0	0	120.5
140	S	30.3	Very low	30.8	Very low	121 Å²	121	138.4 Å²	138.4	85%	0.846	79%	0.792	S	S	*	*				-159.6	136.3	115.7	48.2	0	0	0	0	111
141	T	31.2	Very low	31.3	Very low	143 Å²	143	141.5 Å²	141.5	88%	0.877	80%	0.8	S	S	*	*			trans	-86.1	107.7	-179.1	-24.5	0	0	0	0	109.3
142	E	29.1	Very low	32.4	Very low	191 Å²	191	139.5 Å²	139.5	89%	0.893	78%	0.783	S	S	*	*			trans	-163	156.2	153.8	-113.7	162.9	-143.3	0	0	110.5	R144	E142-R144 PolarHBondContact O-N 3.45Å
143	G	28.2	Very low	33.8	Very low	85 Å²	85	140.8 Å²	140.8	88%	0.876	78%	0.779	S	S	*	*			trans	-61	125.6	-155.6	0	0	0	0	0	115.3
144	R	26.3	Very low	35.3	Very low	241 Å²	241	136.6 Å²	136.6	91%	0.909	75%	0.752	S	S	*	*			trans	-120.8	113.8	164.3	-120.3	175.6	180	166.2	-0	109.2	E142 S146	E142-R144 PolarHBondContact O-N 3.45Å; R144-S146 PolarHBondContact O-N 2.96Å
145	E	26	Very low	37	Very low	188 Å²	188	132.4 Å²	132.4	88%	0.879	74%	0.739	S	S	*	*			trans	-57.9	125.2	161.1	-65.4	178.8	142.2	0	0	107.7	A147	E145-A147 VanDerWaalsContact C-N 3.28Å; E145-A147 PolarHBondContact O-N 2.92Å
146	S	28	Very low	39.2	Very low	110 Å²	110	126.1 Å²	126.1	77%	0.769	72%	0.723	S	S	*	*			trans	-67.1	92.3	173.5	-71	0	0	0	0	109	R144 V148	R144-S146 PolarHBondContact O-N 2.96Å; S146-V148 PolarHBondContact O-N 3.45Å
147	A	32.2	Very low	41.7	Very low	89 Å²	89	117.4 Å²	117.4	74%	0.736	68%	0.683	S	S	*	*			trans	-63.8	84.5	161.2	0	0	0	0	0	108	E145 T149	E145-A147 VanDerWaalsContact C-N 3.28Å; E145-A147 PolarHBondContact O-N 2.92Å; A147-T149 VanDerWaalsContact C-N 3.29Å; A147-T149 PolarHBondContact O-N 2.98Å
148	V	31.9	Very low	44.5	Very low	118 Å²	118	118 Å²	118	72%	0.715	68%	0.676	S	S	*	*			trans	-61.3	98.5	165.8	178.2	0	0	0	0	105.8	S146 M150	S146-V148 PolarHBondContact O-N 3.45Å; V148-M150 PolarHBondContact O-N 2.88Å
149	T	37.1	Very low	47.4	Very low	114 Å²	114	113.3 Å²	113.3	70%	0.699	64%	0.642	S	S	*	*			trans	-64.6	91.9	165.7	43.4	0	0	0	0	106.8	A147 E151	A147-T149 VanDerWaalsContact C-N 3.29Å; A147-T149 PolarHBondContact O-N 2.98Å; T149-E151 PolarHBondContact O-N 3.05Å; T149-E151 VanDerWaalsContact O-N 3.14Å
150	M	37.2	Very low	50.4	Low	146 Å²	146	111.9 Å²	111.9	72%	0.719	62%	0.623	S	S	*	*			trans	-51	121.2	167.7	-75.3	175.8	61.9	0	0	107.6	V148 R152	V148-M150 PolarHBondContact O-N 2.88Å; M150-R152 PolarHBondContact O-N 3.44Å; M150-R152 VanDerWaalsContact O-N 3.1Å
151	E	48.6	Very low	53.3	Low	161 Å²	161	110.9 Å²	110.9	75%	0.752	60%	0.601	S	S	*	*			trans	-56.9	116.3	166	-65.4	-178.5	143.9	0	0	106.9	T149 N153	T149-E151 PolarHBondContact O-N 3.05Å; T149-E151 VanDerWaalsContact O-N 3.14Å; E151-N153 PolarHBondContact O-N 2.97Å; E151-N153 VanDerWaalsContact O-N 3.13Å
152	R	54.6	Low	55.9	Low	102 Å²	102	107 Å²	107	39%	0.385	58%	0.576	S	S	.	*			trans	-65.1	115	176.9	-77.7	-175.2	174.2	-170.7	-1.9	107.6	M150 I754 E766	M150-R152 PolarHBondContact O-N 3.44Å; M150-R152 VanDerWaalsContact O-N 3.1Å; R152-I754 HydrophobicContact CB-CD1 4.25Å; R152-E766 IonicContact NH1-OE1 2.74Å; R152-E766 PolarHBondContact NH1-OE1 3.48Å; R152-E766 IonicContact NH1-OE2 2.62Å; R152-E766 PolarHBondContact NH1-OE2 3.42Å
153	N	61.8	Low	58.4	Low	106 Å²	106	103 Å²	103	57%	0.567	57%	0.569	S	S	*	*			trans	-88.9	153.2	177.3	-137.1	-24.9	0	0	0	109.4	E151 A155 D156	E151-N153 PolarHBondContact O-N 2.97Å; E151-N153 VanDerWaalsContact O-N 3.13Å; N153-A155 PolarHBondContact O-N 3.3Å; N153-A155 VanDerWaalsContact O-N 3.11Å; N153-D156 WeakPolarHBondContact CB-OD2 2.91Å; N153-D156 PolarHBondContact N-OD2 3.36Å; N153-D156 WeakPolarHBondContact O-CB 3.43Å; N153-D156 PolarHBondContact O-N 2.69Å
154	D	64.6	Low	60.8	Low	25 Å²	25	104 Å²	104	13%	0.134	55%	0.554	C	S	.	*	G	3₁₀ helix	trans	-54.1	-37.5	-180	-65.3	-73.3	0	0	0	111.5	D156 I157 R161 I754 Y773	D154-D156 PolarHBondContact O-N 2.71Å; D154-I157 PolarHBondContact O-N 3.14Å; D154-R161 PolarHBondContact O-NH2 2.93Å; D154-I754 WeakPolarHBondContact OD1-CG1 3.46Å; D154-I754 WeakPolarHBondContact OD1-CG2 3.23Å; D154-I754 PolarHBondContact OD1-N 3.48Å; D154-Y773 WeakPolarHBondContact OD2-CD1 3.43Å; D154-Y773 WeakPolarHBondContact OD2-CE1 3.44Å
155	A	64.3	Low	63.1	Low	70 Å²	70	97.9 Å²	97.9	58%	0.579	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-57.5	-29	176.6	0	0	0	0	0	114.4	N153 I157	N153-A155 PolarHBondContact O-N 3.3Å; N153-A155 VanDerWaalsContact O-N 3.11Å; A155-I157 VanDerWaalsContact C-N 3.28Å; A155-I157 PolarHBondContact O-N 3.18Å
156	D	73.7	Confident	65.2	Low	96 Å²	96	91.7 Å²	91.7	51%	0.513	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-76.8	-14.1	-177	-59.2	-40.7	0	0	0	112.8	N153 D154 N158	N153-D156 WeakPolarHBondContact CB-OD2 2.91Å; N153-D156 PolarHBondContact N-OD2 3.36Å; N153-D156 WeakPolarHBondContact O-CB 3.43Å; N153-D156 PolarHBondContact O-N 2.69Å; D154-D156 PolarHBondContact O-N 2.71Å; D156-N158 PolarHBondContact O-N 2.99Å
157	I	83.5	Confident	66.6	Low	16 Å²	16	96 Å²	96	8%	0.082	54%	0.542	C	S	.	.	S	Bend	trans	-71.1	120	178.3	-54.3	-57.8	0	0	0	110.3	D154 A155 F159 R161 I754 E766 I767	D154-I157 PolarHBondContact O-N 3.14Å; A155-I157 VanDerWaalsContact C-N 3.28Å; A155-I157 PolarHBondContact O-N 3.18Å; I157-F159 HydrophobicContact CB-CD1 4.3Å; I157-F159 HydrophobicContact CG2-CD1 3.97Å; I157-F159 WeakPolarHBondContact O-CD1 2.92Å; I157-F159 PolarHBondContact O-N 3.05Å; I157-R161 PolarHBondContact O-NH1 2.88Å; I157-R161 PolarHBondContact O-NH2 2.9Å; I157-I754 HydrophobicContact CD1-CD1 3.8Å; I157-I754 HydrophobicContact CG1-CD1 3.8Å; I157-I754 HydrophobicContact CG1-CG2 4.19Å; I157-E766 HydrophobicContact CD1-CB 4.04Å; I157-E766 WeakPolarHBondContact CD1-OE2 3.04Å; I157-E766 HydrophobicContact CG1-CB 4.42Å; I157-E766 HydrophobicContact CG2-CB 4.46Å; I157-I767 HydrophobicContact CG2-CG1 3.83Å
158	N	86	Confident	68.1	Low	130 Å²	130	98 Å²	98	70%	0.695	54%	0.541	S	S	*	.			trans	-81.6	83.3	-177.6	-174.2	-12.7	0	0	0	112.5	D156 R325	D156-N158 PolarHBondContact O-N 2.99Å; N158-R325 PolarHBondContact O-NH1 3.43Å; N158-R325 PolarHBondContact OD1-NH1 3.47Å
159	F	92	Very high	69.6	Low	13 Å²	13	96 Å²	96	6%	0.057	53%	0.529	C	S	.	.			trans	-127.5	163.4	166.4	75.4	-82.1	0	0	0	111.6	I157 R161 I767 A770	I157-F159 HydrophobicContact CB-CD1 4.3Å; I157-F159 HydrophobicContact CG2-CD1 3.97Å; I157-F159 WeakPolarHBondContact O-CD1 2.92Å; I157-F159 PolarHBondContact O-N 3.05Å; F159-R161 HydrophobicContact CD2-CG 4.14Å; F159-R161 HydrophobicContact CE1-CG 4.21Å; F159-R161 VanDerWaalsContact CE1-NH2 3.29Å; F159-R161 HydrophobicContact CE2-CG 3.61Å; F159-R161 HydrophobicContact CZ-CG 3.65Å; F159-R161 PolarHBondContact O-N 3.4Å; F159-I767 HydrophobicContact CB-CB 4.33Å; F159-I767 HydrophobicContact CB-CD1 4.25Å; F159-I767 HydrophobicContact CB-CG1 4.05Å; F159-I767 HydrophobicContact CB-CG2 3.58Å; F159-I767 HydrophobicContact CD1-CG2 4.4Å; F159-I767 HydrophobicContact CD2-CG2 4.2Å; F159-I767 HydrophobicContact CG-CG2 3.84Å; F159-A770 HydrophobicContact CE1-CB 3.69Å; F159-A770 HydrophobicContact CZ-CB 4.25Å
160	Q	92.2	Very high	70.9	Confident	85 Å²	85	91.1 Å²	91.1	40%	0.397	50%	0.499	S	S	.	.			trans	-78	111.6	178	-59.5	-166.1	86.2	0	0	109.4	L321 N322	Q160-L321 HydrophobicContact CB-CB 3.97Å; Q160-L321 HydrophobicContact CB-CD1 4.37Å; Q160-L321 PolarHBondContact NE2-O 3.43Å; Q160-N322 WeakPolarHBondContact CB-OD1 3.27Å; Q160-N322 PolarHBondContact N-OD1 2.68Å; Q160-N322 PolarHBondContact O-ND2 3.24Å
161	R	91.1	Very high	72.4	Confident	100 Å²	100	85.3 Å²	85.3	38%	0.377	48%	0.477	S	S	.	.			trans	-91.6	148.9	175.2	-68.1	173.9	175.4	89.5	-9.4	110.3	D154 I157 F159 E774	D154-R161 PolarHBondContact O-NH2 2.93Å; I157-R161 PolarHBondContact O-NH1 2.88Å; I157-R161 PolarHBondContact O-NH2 2.9Å; F159-R161 HydrophobicContact CD2-CG 4.14Å; F159-R161 HydrophobicContact CE1-CG 4.21Å; F159-R161 VanDerWaalsContact CE1-NH2 3.29Å; F159-R161 HydrophobicContact CE2-CG 3.61Å; F159-R161 HydrophobicContact CZ-CG 3.65Å; F159-R161 PolarHBondContact O-N 3.4Å; R161-E774 WeakPolarHBondContact CD-OE2 3.4Å; R161-E774 IonicContact CZ-OE1 2.73Å; R161-E774 VanDerWaalsContact CZ-OE1 3.25Å; R161-E774 IonicContact CZ-OE2 3.99Å; R161-E774 VanDerWaalsContact NE-CD 3.32Å; R161-E774 IonicContact NE-OE1 2.74Å; R161-E774 PolarHBondContact NE-OE1 3.22Å; R161-E774 IonicContact NE-OE2 2.7Å; R161-E774 PolarHBondContact NE-OE2 3.43Å; R161-E774 IonicContact NH2-OE1 3.08Å; R161-E774 PolarHBondContact NH2-OE1 2.96Å; R161-E774 IonicContact NH2-OE2 2.79Å
162	V	86	Confident	73.6	Confident	60 Å²	60	78.9 Å²	78.9	36%	0.364	45%	0.448	S	S	.	.			trans	-115.2	106.5	175.5	-179.1	0	0	0	0	108.3	M317 L321	V162-M317 HydrophobicContact CG2-CG 3.77Å; V162-L321 HydrophobicContact CG2-CD1 3.54Å
163	S	81.4	Confident	74.7	Confident	107 Å²	107	77.8 Å²	77.8	75%	0.748	45%	0.454	S	S	*	.			trans	-97	134.2	173.8	55.6	0	0	0	0	110.5
164	I	77.5	Confident	75.6	Confident	108 Å²	108	78 Å²	78	55%	0.554	46%	0.455	S	S	*	.			trans	-101.3	125.2	169.1	-59.2	-175.4	0	0	0	108.2	T169 Y310	I164-T169 HydrophobicContact CG2-CG2 4.41Å; I164-Y310 HydrophobicContact CD1-CD2 4.3Å; I164-Y310 HydrophobicContact CD1-CE2 3.57Å
165	S	76.6	Confident	76.4	Confident	112 Å²	112	84.3 Å²	84.3	78%	0.783	48%	0.483	S	S	*	.			trans	-123.2	139.6	-180	57.9	0	0	0	0	110.9
166	G	69.1	Low	77.3	Confident	57 Å²	57	84 Å²	84	59%	0.588	47%	0.472	S	S	*	.	S	Bend	trans	155.6	174.6	-179.5	0	0	0	0	0	110	T169	G166-T169 WeakPolarHBondContact O-CG2 3.34Å
167	E	58.2	Low	77.8	Confident	200 Å²	200	80 Å²	80	94%	0.935	45%	0.451	S	S	*	.	S	Bend	trans	-75.1	-38.3	179.9	-66.2	175.8	158	0	0	111.2	T169	E167-T169 PolarHBondContact O-N 2.98Å
168	D	63	Low	78	Confident	133 Å²	133	82.2 Å²	82.2	71%	0.711	46%	0.461	S	S	*	.			trans	-96.1	49.5	-178.7	-72.8	-38.1	0	0	0	114.9	S170 G171	D168-S170 VanDerWaalsContact C-N 3.25Å; D168-S170 PolarHBondContact O-N 3.24Å; D168-G171 PolarHBondContact O-N 3.47Å; D168-G171 VanDerWaalsContact O-N 3.07Å
169	T	63.1	Low	78.2	Confident	75 Å²	75	82.4 Å²	82.4	46%	0.46	45%	0.452	S	S	.	.	S	Bend	trans	-64.8	-24	179.8	54.3	0	0	0	0	114.7	I164 G166 E167	I164-T169 HydrophobicContact CG2-CG2 4.41Å; G166-T169 WeakPolarHBondContact O-CG2 3.34Å; E167-T169 PolarHBondContact O-N 2.98Å
170	S	65.4	Low	78.3	Confident	12 Å²	12	81.9 Å²	81.9	8%	0.084	45%	0.45	C	S	.	.	S	Bend	trans	-71.6	-33.8	172.2	64.5	0	0	0	0	111.9	D168 V172	D168-S170 VanDerWaalsContact C-N 3.25Å; D168-S170 PolarHBondContact O-N 3.24Å; S170-V172 PolarHBondContact O-N 3.15Å; S170-V172 PolarHBondContact OG-N 2.63Å; S170-V172 PolarHBondContact OG-O 2.82Å
171	G	67.9	Low	78.3	Confident	24 Å²	24	77.9 Å²	77.9	25%	0.247	43%	0.431	C	S	.	.	S	Bend	trans	67.9	14.3	-171	0	0	0	0	0	114.9	D168 R306	D168-G171 PolarHBondContact O-N 3.47Å; D168-G171 VanDerWaalsContact O-N 3.07Å; G171-R306 PolarHBondContact O-NH1 2.8Å; G171-R306 PolarHBondContact O-NH2 2.88Å
172	V	73.7	Confident	78.4	Confident	25 Å²	25	76.1 Å²	76.1	15%	0.152	43%	0.431	C	S	.	.	S	Bend	trans	-132.3	153.1	176.1	-70.3	0	0	0	0	109.5	S170 D176 L177 F303	S170-V172 PolarHBondContact O-N 3.15Å; S170-V172 PolarHBondContact OG-N 2.63Å; S170-V172 PolarHBondContact OG-O 2.82Å; V172-D176 HydrophobicContact CB-CB 4.49Å; V172-L177 HydrophobicContact CG2-CB 4.06Å; V172-L177 HydrophobicContact CG2-CD1 4.36Å; V172-F303 HydrophobicContact CG1-CD2 4.43Å; V172-F303 HydrophobicContact CG2-CD2 3.83Å; V172-F303 HydrophobicContact CG2-CE2 4.13Å
173	P	78.6	Confident	78.9	Confident	79 Å²	79	75 Å²	75	51%	0.513	42%	0.423	S	S	.	.			trans	-51.6	148.9	173.6	-25.7	34.8	0	0	0	112.3	E175 D176 L177	P173-E175 VanDerWaalsContact C-N 3.29Å; P173-E175 PolarHBondContact O-N 3.23Å; P173-D176 HydrophobicContact CB-CB 4.43Å; P173-D176 PolarHBondContact O-N 3.33Å; P173-L177 PolarHBondContact O-N 3.15Å
174	L	79.7	Confident	79.6	Confident	110 Å²	110	69.9 Å²	69.9	58%	0.576	39%	0.388	S	S	*	.	H	α-helix	trans	-58.8	-40.9	-178.6	-175.1	63	0	0	0	112	D176 L177 E178	L174-D176 PolarHBondContact O-N 3.33Å; L174-L177 HydrophobicContact CD1-CD2 4.46Å; L174-L177 WeakPolarHBondContact O-CB 3.29Å; L174-L177 PolarHBondContact O-N 2.87Å; L174-E178 WeakPolarHBondContact O-CG 3.03Å; L174-E178 PolarHBondContact O-N 2.73Å
175	E	80.8	Confident	80.5	Confident	158 Å²	158	64.9 Å²	64.9	74%	0.738	36%	0.362	S	S	*	.	H	α-helix	trans	-61.4	-43.3	177.1	-61.6	175.3	-167.5	0	0	112.7	P173 L177 E178 R179	P173-E175 VanDerWaalsContact C-N 3.29Å; P173-E175 PolarHBondContact O-N 3.23Å; E175-L177 VanDerWaalsContact C-N 3.31Å; E175-L177 PolarHBondContact O-N 3.5Å; E175-E178 PolarHBondContact O-N 2.77Å; E175-R179 WeakPolarHBondContact O-CB 3.23Å; E175-R179 PolarHBondContact O-N 3.15Å
176	D	83.2	Confident	81.4	Confident	65 Å²	65	63.3 Å²	63.3	35%	0.348	34%	0.342	S	S	.	.	H	α-helix	trans	-65.2	-37.3	175.4	-80.2	-31.3	0	0	0	111.1	V172 P173 L174 A180	V172-D176 HydrophobicContact CB-CB 4.49Å; P173-D176 HydrophobicContact CB-CB 4.43Å; P173-D176 PolarHBondContact O-N 3.33Å; L174-D176 PolarHBondContact O-N 3.33Å; D176-A180 WeakPolarHBondContact O-CB 3.4Å; D176-A180 PolarHBondContact O-N 2.59Å
177	L	86.1	Confident	82.8	Confident	11 Å²	11	60.6 Å²	60.6	6%	0.058	31%	0.314	C	S	.	.	H	α-helix	trans	-67.8	-42.5	176.4	-178	66.4	0	0	0	111.9	V172 P173 L174 E175 S181 F303 V786	V172-L177 HydrophobicContact CG2-CB 4.06Å; V172-L177 HydrophobicContact CG2-CD1 4.36Å; P173-L177 PolarHBondContact O-N 3.15Å; L174-L177 HydrophobicContact CD1-CD2 4.46Å; L174-L177 WeakPolarHBondContact O-CB 3.29Å; L174-L177 PolarHBondContact O-N 2.87Å; E175-L177 VanDerWaalsContact C-N 3.31Å; E175-L177 PolarHBondContact O-N 3.5Å; L177-S181 WeakPolarHBondContact O-CB 3.4Å; L177-S181 PolarHBondContact O-N 2.77Å; L177-S181 PolarHBondContact O-OG 3.33Å; L177-F303 HydrophobicContact CD1-CD2 4.34Å; L177-F303 HydrophobicContact CD1-CE2 3.42Å; L177-F303 VanDerWaalsContact CD1-CE2 3.42Å; L177-F303 HydrophobicContact CD1-CZ 3.7Å; L177-V786 HydrophobicContact CD2-CG2 3.58Å; L177-V786 HydrophobicContact CG-CG1 4.5Å; L177-V786 HydrophobicContact CG-CG2 3.84Å
178	E	86.8	Confident	84.7	Confident	63 Å²	63	51.1 Å²	51.1	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-60.8	-49	175.4	-77.4	173.3	-174.1	0	0	111.4	L174 E175 S181 T182 V786 C790	L174-E178 WeakPolarHBondContact O-CG 3.03Å; L174-E178 PolarHBondContact O-N 2.73Å; E175-E178 PolarHBondContact O-N 2.77Å; E178-S181 PolarHBondContact O-N 2.83Å; E178-T182 WeakPolarHBondContact O-CB 3.37Å; E178-T182 PolarHBondContact O-N 3.06Å; E178-T182 PolarHBondContact O-OG1 2.83Å; E178-V786 HydrophobicContact CB-CG1 4.09Å; E178-V786 HydrophobicContact CG-CG1 3.33Å; E178-C790 PolarHBondContact OE1-SG 3.11Å
179	R	90.1	Very high	86.3	Confident	134 Å²	134	50.2 Å²	50.2	51%	0.506	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-50.7	176.2	178.3	178.8	173.7	145.9	-0.7	111.6	E175 S181 T182 L183 D297	E175-R179 WeakPolarHBondContact O-CB 3.23Å; E175-R179 PolarHBondContact O-N 3.15Å; R179-S181 VanDerWaalsContact C-N 3.32Å; R179-S181 PolarHBondContact O-N 3.24Å; R179-T182 PolarHBondContact O-N 2.93Å; R179-L183 HydrophobicContact CG-CD1 4.23Å; R179-L183 WeakPolarHBondContact O-CG 3.41Å; R179-L183 PolarHBondContact O-N 3.12Å; R179-L183 VanDerWaalsContact O-N 3.1Å; R179-D297 IonicContact CZ-OD2 3.48Å; R179-D297 IonicContact NE-OD2 3.52Å; R179-D297 IonicContact NH2-OD2 2.69Å; R179-D297 PolarHBondContact NH2-OD2 3.06Å
180	A	93.3	Very high	87.9	Confident	2 Å²	2	47.8 Å²	47.8	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-41.5	179.7	0	0	0	0	0	111.6	D176 L183 L184 L300 F303	D176-A180 WeakPolarHBondContact O-CB 3.4Å; D176-A180 PolarHBondContact O-N 2.59Å; A180-L183 PolarHBondContact O-N 3.09Å; A180-L184 WeakPolarHBondContact O-CB 3.4Å; A180-L184 VanDerWaalsContact O-CG 3.22Å; A180-L184 WeakPolarHBondContact O-CG 3.46Å; A180-L184 PolarHBondContact O-N 3.03Å; A180-L300 HydrophobicContact CB-CD1 3.85Å; A180-F303 HydrophobicContact CB-CB 4.14Å; A180-F303 HydrophobicContact CB-CD1 3.7Å; A180-F303 HydrophobicContact CB-CE1 4.24Å; A180-F303 HydrophobicContact CB-CG 3.87Å
181	S	92.8	Very high	89.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-41.3	177.7	-62	0	0	0	0	112.1	L177 E178 R179 L184 I185 I783	L177-S181 WeakPolarHBondContact O-CB 3.4Å; L177-S181 PolarHBondContact O-N 2.77Å; L177-S181 PolarHBondContact O-OG 3.33Å; E178-S181 PolarHBondContact O-N 2.83Å; R179-S181 VanDerWaalsContact C-N 3.32Å; R179-S181 PolarHBondContact O-N 3.24Å; S181-L184 PolarHBondContact O-N 3.07Å; S181-I185 WeakPolarHBondContact O-CB 3.42Å; S181-I185 WeakPolarHBondContact O-CG1 3.48Å; S181-I185 PolarHBondContact O-N 3.36Å; S181-I783 WeakPolarHBondContact CB-O 3.15Å; S181-I783 PolarHBondContact OG-O 3.02Å
182	T	93.6	Very high	90.8	Very high	63 Å²	63	47.9 Å²	47.9	39%	0.387	24%	0.237	S	C	.	.	H	α-helix	trans	-62.3	-49.3	177.6	-64.1	0	0	0	0	111.7	E178 R179 L184 I185 E186 N787	E178-T182 WeakPolarHBondContact O-CB 3.37Å; E178-T182 PolarHBondContact O-N 3.06Å; E178-T182 PolarHBondContact O-OG1 2.83Å; R179-T182 PolarHBondContact O-N 2.93Å; T182-L184 PolarHBondContact O-N 3.41Å; T182-I185 PolarHBondContact O-N 2.68Å; T182-E186 PolarHBondContact O-N 3.48Å; T182-N787 PolarHBondContact OG1-ND2 2.69Å; T182-N787 PolarHBondContact OG1-OD1 3.49Å
183	L	96	Very high	91.9	Very high	36 Å²	36	50.6 Å²	50.6	19%	0.188	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-40.9	177.9	-66.1	172.1	0	0	0	112.2	R179 A180 E186 A187 M294 L300	R179-L183 HydrophobicContact CG-CD1 4.23Å; R179-L183 WeakPolarHBondContact O-CG 3.41Å; R179-L183 PolarHBondContact O-N 3.12Å; R179-L183 VanDerWaalsContact O-N 3.1Å; A180-L183 PolarHBondContact O-N 3.09Å; L183-E186 PolarHBondContact O-N 3.02Å; L183-A187 PolarHBondContact O-N 2.86Å; L183-M294 HydrophobicContact CB-CE 4.26Å; L183-M294 HydrophobicContact CB-CG 4.35Å; L183-M294 HydrophobicContact CD2-CE 3.99Å; L183-M294 HydrophobicContact CD2-CG 4.23Å; L183-M294 WeakPolarHBondContact O-CE 3.3Å; L183-L300 HydrophobicContact CB-CD2 3.86Å; L183-L300 HydrophobicContact CD1-CB 4.45Å; L183-L300 HydrophobicContact CD1-CD2 3.92Å
184	L	96.9	Very high	92.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-64.3	-44.2	175.5	-71.5	170.2	0	0	0	111.6	A180 S181 T182 E186 A187 L188 L300 F303 Y650 L651 I783	A180-L184 WeakPolarHBondContact O-CB 3.4Å; A180-L184 VanDerWaalsContact O-CG 3.22Å; A180-L184 WeakPolarHBondContact O-CG 3.46Å; A180-L184 PolarHBondContact O-N 3.03Å; S181-L184 PolarHBondContact O-N 3.07Å; T182-L184 PolarHBondContact O-N 3.41Å; L184-E186 VanDerWaalsContact C-N 3.27Å; L184-E186 PolarHBondContact O-N 3.12Å; L184-A187 PolarHBondContact O-N 3.25Å; L184-L188 WeakPolarHBondContact O-CB 3.28Å; L184-L188 WeakPolarHBondContact O-CG 3.42Å; L184-L188 PolarHBondContact O-N 3.44Å; L184-L300 HydrophobicContact CD1-CD1 4.13Å; L184-L300 HydrophobicContact CD2-CD1 4.07Å; L184-L300 HydrophobicContact CG-CD1 3.8Å; L184-F303 HydrophobicContact CD1-CD1 4.13Å; L184-F303 HydrophobicContact CD1-CE1 3.74Å; L184-Y650 HydrophobicContact CD1-CD1 4.04Å; L184-Y650 HydrophobicContact CD1-CE1 3.8Å; L184-Y650 HydrophobicContact CD2-CD1 4.24Å; L184-L651 HydrophobicContact CD2-CD1 4.46Å; L184-L651 HydrophobicContact CD2-CD2 3.61Å; L184-L651 HydrophobicContact CD2-CG 3.85Å; L184-I783 HydrophobicContact CB-CG2 4.36Å; L184-I783 HydrophobicContact CD1-CD1 4.03Å; L184-I783 HydrophobicContact CD1-CG1 4.21Å
185	I	95.8	Very high	93.7	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-34.7	178	-69.1	169.7	0	0	0	111.3	S181 T182 R189 L210 I783 F784 N787	S181-I185 WeakPolarHBondContact O-CB 3.42Å; S181-I185 WeakPolarHBondContact O-CG1 3.48Å; S181-I185 PolarHBondContact O-N 3.36Å; T182-I185 PolarHBondContact O-N 2.68Å; I185-R189 VanDerWaalsContact O-CG 3.26Å; I185-R189 WeakPolarHBondContact O-CG 3.5Å; I185-R189 PolarHBondContact O-N 2.99Å; I185-L210 HydrophobicContact CG2-CD2 4.45Å; I185-I783 HydrophobicContact CD1-CG2 3.99Å; I185-I783 HydrophobicContact CG1-CG2 3.66Å; I185-F784 HydrophobicContact CD1-CD1 3.84Å; I185-F784 HydrophobicContact CD1-CE1 3.98Å; I185-F784 HydrophobicContact CD1-CG 4.17Å; I185-F784 HydrophobicContact CD1-CZ 4.42Å; I185-F784 HydrophobicContact CG1-CD1 4.16Å; I185-F784 HydrophobicContact CG1-CD2 4.44Å; I185-F784 HydrophobicContact CG1-CE1 3.82Å; I185-F784 HydrophobicContact CG1-CE2 4.14Å; I185-F784 HydrophobicContact CG1-CG 4.47Å; I185-F784 HydrophobicContact CG1-CZ 3.82Å; I185-F784 HydrophobicContact CG2-CE1 4.16Å; I185-F784 HydrophobicContact CG2-CZ 4.48Å; I185-N787 HydrophobicContact CD1-CB 4.41Å
186	E	95.9	Very high	94.3	Very high	80 Å²	80	37.2 Å²	37.2	37%	0.374	19%	0.187	S	C	.	.	H	α-helix	trans	-64.1	-50.9	172.6	-175.1	174.7	-160.8	0	0	111.8	T182 L183 L184 L188 R189 L190 M294	T182-E186 PolarHBondContact O-N 3.48Å; L183-E186 PolarHBondContact O-N 3.02Å; L184-E186 VanDerWaalsContact C-N 3.27Å; L184-E186 PolarHBondContact O-N 3.12Å; E186-L188 VanDerWaalsContact C-N 3.3Å; E186-L188 PolarHBondContact O-N 3.31Å; E186-R189 WeakPolarHBondContact O-CA 3.36Å; E186-R189 WeakPolarHBondContact O-CB 2.91Å; E186-R189 PolarHBondContact O-N 3.13Å; E186-L190 PolarHBondContact O-N 3.46Å; E186-M294 HydrophobicContact CB-CE 3.78Å; E186-M294 HydrophobicContact CG-CE 3.76Å; E186-M294 VanDerWaalsContact OE2-CE 3.23Å; E186-M294 WeakPolarHBondContact OE2-CE 3.34Å
187	A	98	Very high	94.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.8	-40.1	174.4	0	0	0	0	0	113	L183 L184 R189 L190 R191 M291 M294 F630 L651	L183-A187 PolarHBondContact O-N 2.86Å; L184-A187 PolarHBondContact O-N 3.25Å; A187-R189 VanDerWaalsContact C-N 3.32Å; A187-R189 PolarHBondContact O-N 3.49Å; A187-L190 PolarHBondContact O-N 2.95Å; A187-R191 PolarHBondContact O-N 3.01Å; A187-R191 VanDerWaalsContact O-N 3.1Å; A187-M291 HydrophobicContact CB-CE 4.19Å; A187-M291 HydrophobicContact CB-SD 3.65Å; A187-M294 HydrophobicContact CB-SD 3.88Å; A187-F630 HydrophobicContact CB-CE1 4.22Å; A187-F630 HydrophobicContact CB-CZ 4.46Å; A187-F630 WeakPolarHBondContact O-CE1 3.39Å; A187-L651 HydrophobicContact CB-CD1 3.7Å; A187-L651 HydrophobicContact CB-CD2 3.77Å; A187-L651 HydrophobicContact CB-CG 4.42Å
188	L	97.8	Very high	95.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-36.4	174.6	-68.8	178.1	0	0	0	112.2	L184 E186 S192 T206 L210 L651 L654 T655 F784	L184-L188 WeakPolarHBondContact O-CB 3.28Å; L184-L188 WeakPolarHBondContact O-CG 3.42Å; L184-L188 PolarHBondContact O-N 3.44Å; E186-L188 VanDerWaalsContact C-N 3.3Å; E186-L188 PolarHBondContact O-N 3.31Å; L188-S192 VanDerWaalsContact O-CB 3.26Å; L188-S192 WeakPolarHBondContact O-CB 3.48Å; L188-S192 PolarHBondContact O-N 3.02Å; L188-T206 HydrophobicContact CD1-CG2 4.25Å; L188-T206 HydrophobicContact CD2-CG2 4.09Å; L188-L210 HydrophobicContact CB-CD1 4.33Å; L188-L210 HydrophobicContact CB-CD2 3.96Å; L188-L651 HydrophobicContact CD2-CD2 4.11Å; L188-L651 HydrophobicContact CG-CD2 4.28Å; L188-L654 HydrophobicContact CD2-CB 4.07Å; L188-T655 HydrophobicContact CD2-CG2 3.2Å; L188-F784 HydrophobicContact CD1-CE2 3.7Å; L188-F784 HydrophobicContact CD1-CZ 3.87Å
189	R	96.3	Very high	95.6	Very high	115 Å²	115	33.2 Å²	33.2	43%	0.434	17%	0.168	S	C	.	.	H	α-helix	trans	-68.1	-43.4	174.2	-74	168.2	179	167.1	0.1	111.7	I185 E186 A187 S192 H193 L210	I185-R189 VanDerWaalsContact O-CG 3.26Å; I185-R189 WeakPolarHBondContact O-CG 3.5Å; I185-R189 PolarHBondContact O-N 2.99Å; E186-R189 WeakPolarHBondContact O-CA 3.36Å; E186-R189 WeakPolarHBondContact O-CB 2.91Å; E186-R189 PolarHBondContact O-N 3.13Å; A187-R189 VanDerWaalsContact C-N 3.32Å; A187-R189 PolarHBondContact O-N 3.49Å; R189-S192 PolarHBondContact O-N 3.23Å; R189-H193 WeakPolarHBondContact O-CB 3.33Å; R189-H193 PolarHBondContact O-N 3.33Å; R189-L210 HydrophobicContact CG-CD2 3.72Å
190	L	97.4	Very high	95.9	Very high	23 Å²	23	27.4 Å²	27.4	12%	0.12	15%	0.146	C	C	.	.	H	α-helix	trans	-56.6	-56.6	176.6	-69.7	177.5	0	0	0	110.7	E186 A187 S192 H193 Y194 D287 V290 M291 L631	E186-L190 PolarHBondContact O-N 3.46Å; A187-L190 PolarHBondContact O-N 2.95Å; L190-S192 VanDerWaalsContact C-N 3.32Å; L190-S192 PolarHBondContact O-N 3.28Å; L190-H193 WeakPolarHBondContact O-CB 3.2Å; L190-H193 PolarHBondContact O-N 2.95Å; L190-Y194 WeakPolarHBondContact O-CD2 3.49Å; L190-Y194 PolarHBondContact O-N 3.07Å; L190-Y194 VanDerWaalsContact O-N 3.14Å; L190-D287 HydrophobicContact CD1-CB 4.44Å; L190-D287 HydrophobicContact CD2-CB 4.27Å; L190-D287 WeakPolarHBondContact CD2-OD1 3.33Å; L190-V290 HydrophobicContact CD1-CG1 4.08Å; L190-M291 HydrophobicContact CD1-CG 4.25Å; L190-M291 HydrophobicContact CD1-SD 4.22Å; L190-L631 HydrophobicContact CB-CD2 3.86Å
191	R	97.8	Very high	95.9	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.011	17%	0.169	C	C	.	.	H	α-helix	trans	-58.1	-43.5	176.6	-179.3	176.4	174.3	77	2.1	112.2	A187 H193 Y194 M195 F202 F630 A633 E634 I657	A187-R191 PolarHBondContact O-N 3.01Å; A187-R191 VanDerWaalsContact O-N 3.1Å; R191-H193 PolarHBondContact O-N 3.35Å; R191-Y194 PolarHBondContact O-N 3.11Å; R191-M195 HydrophobicContact CG-CG 4Å; R191-M195 WeakPolarHBondContact O-CG 3.46Å; R191-M195 PolarHBondContact O-N 2.96Å; R191-F202 HydrophobicContact CB-CE2 4.24Å; R191-F202 HydrophobicContact CG-CD2 4.11Å; R191-F202 HydrophobicContact CG-CE2 3.96Å; R191-F630 HydrophobicContact CB-CD1 4.43Å; R191-F630 HydrophobicContact CB-CE1 3.82Å; R191-F630 HydrophobicContact CB-CE2 4.22Å; R191-F630 HydrophobicContact CB-CZ 3.69Å; R191-F630 VanDerWaalsContact CD-O 3.23Å; R191-F630 WeakPolarHBondContact CD-O 3.38Å; R191-F630 HydrophobicContact CG-CZ 4.47Å; R191-F630 VanDerWaalsContact CG-O 3.26Å; R191-F630 WeakPolarHBondContact CG-O 3.41Å; R191-F630 PolarHBondContact NH1-O 2.81Å; R191-A633 VanDerWaalsContact CZ-O 3.28Å; R191-A633 PolarHBondContact NH1-O 2.89Å; R191-A633 PolarHBondContact NH2-O 3.04Å; R191-E634 PolarHBondContact NH2-O 3.44Å; R191-I657 VanDerWaalsContact CZ-CD1 3.4Å
192	S	97	Very high	96	Very high	36 Å²	36	32.5 Å²	32.5	25%	0.252	18%	0.177	S	C	.	.	H	α-helix	trans	-61.3	-30.2	178.7	-177.8	0	0	0	0	113.2	L188 R189 L190 A196	L188-S192 VanDerWaalsContact O-CB 3.26Å; L188-S192 WeakPolarHBondContact O-CB 3.48Å; L188-S192 PolarHBondContact O-N 3.02Å; R189-S192 PolarHBondContact O-N 3.23Å; L190-S192 VanDerWaalsContact C-N 3.32Å; L190-S192 PolarHBondContact O-N 3.28Å; S192-A196 WeakPolarHBondContact O-CB 3.45Å; S192-A196 PolarHBondContact O-N 2.9Å
193	H	96.4	Very high	96	Very high	81 Å²	81	30.8 Å²	30.8	38%	0.375	17%	0.167	S	C	.	.	H	α-helix	trans	-73.6	-45.9	176.5	179.4	38.1	0	0	0	111.4	R189 L190 R191 A196 M197 Q283	R189-H193 WeakPolarHBondContact O-CB 3.33Å; R189-H193 PolarHBondContact O-N 3.33Å; L190-H193 WeakPolarHBondContact O-CB 3.2Å; L190-H193 PolarHBondContact O-N 2.95Å; R191-H193 PolarHBondContact O-N 3.35Å; H193-A196 PolarHBondContact O-N 3.1Å; H193-M197 VanDerWaalsContact CE1-SD 3.53Å; H193-M197 WeakPolarHBondContact NE2-CE 3.34Å; H193-M197 WeakPolarHBondContact O-CG 3.49Å; H193-M197 PolarHBondContact O-N 3.11Å; H193-Q283 PolarHBondContact NE2-NE2 3.41Å
194	Y	98	Very high	95.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-47.4	177.2	-81.1	-114.6	0	0	0	112	L190 R191 A196 M197 S198 P279 F284 D287 Y593 L631 M632	L190-Y194 WeakPolarHBondContact O-CD2 3.49Å; L190-Y194 PolarHBondContact O-N 3.07Å; L190-Y194 VanDerWaalsContact O-N 3.14Å; R191-Y194 PolarHBondContact O-N 3.11Å; Y194-A196 VanDerWaalsContact C-N 3.26Å; Y194-A196 PolarHBondContact O-N 2.9Å; Y194-M197 HydrophobicContact CD2-CE 4.04Å; Y194-M197 HydrophobicContact CE2-CE 4.37Å; Y194-M197 HydrophobicContact CG-CE 4.16Å; Y194-M197 PolarHBondContact O-N 2.91Å; Y194-M197 VanDerWaalsContact O-N 3.17Å; Y194-S198 PolarHBondContact O-N 3.22Å; Y194-S198 PolarHBondContact O-OG 3.13Å; Y194-P279 HydrophobicContact CD1-CG 4.15Å; Y194-P279 HydrophobicContact CE1-CB 4.23Å; Y194-P279 HydrophobicContact CE1-CG 3.61Å; Y194-F284 HydrophobicContact CE1-CD2 4.32Å; Y194-F284 WeakPolarHBondContact OH-CA 3.18Å; Y194-D287 VanDerWaalsContact CE2-OD2 3.25Å; Y194-D287 WeakPolarHBondContact CE2-OD2 3.3Å; Y194-D287 PolarHBondContact OH-OD2 2.99Å; Y194-Y593 WeakPolarHBondContact CA-OH 3.28Å; Y194-Y593 WeakPolarHBondContact CB-OH 3.41Å; Y194-Y593 AromaticContact CD1-CE1 3.81Å; Y194-Y593 HydrophobicContact CD1-CE1 3.81Å; Y194-Y593 HydrophobicContact CD1-CE2 4.3Å; Y194-Y593 AromaticContact CD1-CZ 3.65Å; Y194-Y593 HydrophobicContact CE1-CE1 4.25Å; Y194-Y593 PolarHBondContact O-OH 2.69Å; Y194-L631 WeakPolarHBondContact CB-O 3.39Å; Y194-L631 HydrophobicContact CD1-CB 4.34Å; Y194-L631 HydrophobicContact CE1-CB 4.41Å; Y194-M632 HydrophobicContact CD1-CG 3.73Å; Y194-M632 HydrophobicContact CE1-CG 3.91Å
195	M	97.1	Very high	95.7	Very high	1 Å²	1	32 Å²	32	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-59.4	-39.1	177.8	-62.5	-60.3	94.8	0	0	111.6	R191 S198 D199 Q200 S201 F202 L631	R191-M195 HydrophobicContact CG-CG 4Å; R191-M195 WeakPolarHBondContact O-CG 3.46Å; R191-M195 PolarHBondContact O-N 2.96Å; M195-S198 PolarHBondContact O-N 3.17Å; M195-S198 PolarHBondContact O-OG 3Å; M195-D199 PolarHBondContact O-N 2.75Å; M195-Q200 HydrophobicContact CB-CB 4.41Å; M195-Q200 HydrophobicContact CE-CB 4.3Å; M195-Q200 PolarHBondContact O-N 3.14Å; M195-Q200 HydrophobicContact SD-CB 3.58Å; M195-Q200 VanDerWaalsContact SD-CB 3.58Å; M195-S201 WeakPolarHBondContact CG-O 3.41Å; M195-F202 HydrophobicContact CB-CB 4.03Å; M195-F202 HydrophobicContact CB-CD2 4.44Å; M195-F202 HydrophobicContact CG-CB 4.3Å; M195-F202 HydrophobicContact CG-CD2 4.09Å; M195-L631 VanDerWaalsContact CE-O 3.29Å; M195-L631 WeakPolarHBondContact CE-O 3.41Å
196	A	95	Very high	95.6	Very high	66 Å²	66	31.9 Å²	31.9	55%	0.545	18%	0.178	S	C	.	.	H	α-helix	trans	-68.1	-38.4	176.2	0	0	0	0	0	113.8	S192 H193 Y194	S192-A196 WeakPolarHBondContact O-CB 3.45Å; S192-A196 PolarHBondContact O-N 2.9Å; H193-A196 PolarHBondContact O-N 3.1Å; Y194-A196 VanDerWaalsContact C-N 3.26Å; Y194-A196 PolarHBondContact O-N 2.9Å
197	M	94.6	Very high	95.5	Very high	11 Å²	11	29.1 Å²	29.1	5%	0.054	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-44.2	174.5	-74.9	-174.2	-71.3	0	0	111.3	H193 Y194 D199 P279 T597 K601	H193-M197 VanDerWaalsContact CE1-SD 3.53Å; H193-M197 WeakPolarHBondContact NE2-CE 3.34Å; H193-M197 WeakPolarHBondContact O-CG 3.49Å; H193-M197 PolarHBondContact O-N 3.11Å; Y194-M197 HydrophobicContact CD2-CE 4.04Å; Y194-M197 HydrophobicContact CE2-CE 4.37Å; Y194-M197 HydrophobicContact CG-CE 4.16Å; Y194-M197 PolarHBondContact O-N 2.91Å; Y194-M197 VanDerWaalsContact O-N 3.17Å; M197-D199 PolarHBondContact O-N 3.36Å; M197-P279 HydrophobicContact CE-CB 3.97Å; M197-P279 HydrophobicContact CE-CG 3.83Å; M197-P279 HydrophobicContact SD-CG 4.48Å; M197-T597 HydrophobicContact CB-CG2 4.49Å; M197-T597 WeakPolarHBondContact O-CG2 3.37Å; M197-K601 WeakPolarHBondContact O-CE 3.49Å; M197-K601 PolarHBondContact O-NZ 2.68Å
198	S	95.1	Very high	95.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-85.8	-0.3	-173.5	52	0	0	0	0	116	Y194 M195 Q200 Y593 T597 N600	Y194-S198 PolarHBondContact O-N 3.22Å; Y194-S198 PolarHBondContact O-OG 3.13Å; M195-S198 PolarHBondContact O-N 3.17Å; M195-S198 PolarHBondContact O-OG 3Å; S198-Q200 PolarHBondContact O-N 2.83Å; S198-Q200 PolarHBondContact OG-NE2 2.98Å; S198-Y593 VanDerWaalsContact CB-CE2 3.47Å; S198-Y593 WeakPolarHBondContact OG-CE2 3.32Å; S198-T597 WeakPolarHBondContact CB-OG1 3.5Å; S198-N600 PolarHBondContact O-ND2 3.04Å
199	D	93.2	Very high	94.9	Very high	44 Å²	44	36.7 Å²	36.7	24%	0.235	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	21	-169.1	-63.5	-57.8	0	0	0	114.8	M195 M197 K601	M195-D199 PolarHBondContact O-N 2.75Å; M197-D199 PolarHBondContact O-N 3.36Å; D199-K601 IonicContact OD1-NZ 2.72Å; D199-K601 PolarHBondContact OD1-NZ 3.12Å; D199-K601 VanDerWaalsContact OD2-CD 3.32Å; D199-K601 WeakPolarHBondContact OD2-CD 3.27Å; D199-K601 WeakPolarHBondContact OD2-CE 3.35Å; D199-K601 IonicContact OD2-NZ 3.25Å; D199-K601 PolarHBondContact OD2-NZ 3.36Å
200	Q	95.2	Very high	94.6	Very high	12 Å²	12	31.9 Å²	31.9	6%	0.056	18%	0.181	C	C	.	.			trans	-77.7	160	171.3	-69.6	-176.1	111.7	0	0	110.6	M195 S198 M596 V612 M632 E634	M195-Q200 HydrophobicContact CB-CB 4.41Å; M195-Q200 HydrophobicContact CE-CB 4.3Å; M195-Q200 PolarHBondContact O-N 3.14Å; M195-Q200 HydrophobicContact SD-CB 3.58Å; M195-Q200 VanDerWaalsContact SD-CB 3.58Å; S198-Q200 PolarHBondContact O-N 2.83Å; S198-Q200 PolarHBondContact OG-NE2 2.98Å; Q200-M596 HydrophobicContact CG-CE 4.33Å; Q200-V612 HydrophobicContact CG-CB 4.46Å; Q200-V612 HydrophobicContact CG-CG1 4.27Å; Q200-M632 PolarHBondContact NE2-O 3.46Å; Q200-E634 WeakPolarHBondContact CB-OE2 3.47Å; Q200-E634 HydrophobicContact CG-CB 4.48Å; Q200-E634 VanDerWaalsContact OE1-N 3.1Å
201	S	93.3	Very high	93.9	Very high	72 Å²	72	35.5 Å²	35.5	50%	0.503	20%	0.196	S	C	.	.			trans	-79.7	150.7	-176.6	91.5	0	0	0	0	112.4	M195 E634	M195-S201 WeakPolarHBondContact CG-O 3.41Å; S201-E634 VanDerWaalsContact CB-OE1 3.26Å; S201-E634 WeakPolarHBondContact CB-OE1 3.12Å; S201-E634 PolarHBondContact N-OE2 3.01Å; S201-E634 PolarHBondContact OG-OE1 2.86Å; S201-E634 PolarHBondContact OG-OE2 2.83Å
202	F	95.6	Very high	92.1	Very high	36 Å²	36	37.1 Å²	37.1	16%	0.158	21%	0.206	C	C	.	.			trans	-143.3	135.8	173.4	-173.3	-87.8	0	0	0	107.5	R191 M195 S204 T206 A207 L210 T655	R191-F202 HydrophobicContact CB-CE2 4.24Å; R191-F202 HydrophobicContact CG-CD2 4.11Å; R191-F202 HydrophobicContact CG-CE2 3.96Å; M195-F202 HydrophobicContact CB-CB 4.03Å; M195-F202 HydrophobicContact CB-CD2 4.44Å; M195-F202 HydrophobicContact CG-CB 4.3Å; M195-F202 HydrophobicContact CG-CD2 4.09Å; F202-S204 PolarHBondContact O-N 3.18Å; F202-T206 HydrophobicContact CE1-CG2 4.03Å; F202-T206 HydrophobicContact CZ-CG2 3.95Å; F202-A207 HydrophobicContact CD1-CB 4Å; F202-A207 HydrophobicContact CE1-CB 4.19Å; F202-L210 HydrophobicContact CE1-CD1 3.83Å; F202-L210 HydrophobicContact CZ-CD1 3.77Å; F202-T655 HydrophobicContact CE2-CG2 3.96Å; F202-T655 HydrophobicContact CZ-CG2 4.18Å
203	P	94	Very high	90	Very high	27 Å²	27	37.7 Å²	37.7	18%	0.175	21%	0.208	C	C	.	.			trans	-60.8	129.4	-171.3	23.4	-35.8	0	0	0	112.5	T205 T206 A207 T655 Q656	P203-T205 VanDerWaalsContact C-N 3.32Å; P203-T205 PolarHBondContact O-N 2.96Å; P203-T206 PolarHBondContact O-N 3.07Å; P203-A207 WeakPolarHBondContact O-CB 3.28Å; P203-A207 PolarHBondContact O-N 2.99Å; P203-T655 WeakPolarHBondContact CD-O 3.01Å; P203-T655 VanDerWaalsContact CG-O 3.29Å; P203-T655 WeakPolarHBondContact CG-O 3.29Å; P203-Q656 HydrophobicContact CB-CB 4.41Å; P203-Q656 HydrophobicContact CG-CB 4.43Å
204	S	92.3	Very high	87.6	Confident	61 Å²	61	40.5 Å²	40.5	43%	0.427	22%	0.219	S	C	.	.	H	α-helix	trans	-54.4	-44	-178.8	29.5	0	0	0	0	112.7	F202 A207 R208 D752	F202-S204 PolarHBondContact O-N 3.18Å; S204-A207 WeakPolarHBondContact O-CB 3.47Å; S204-A207 PolarHBondContact O-N 2.96Å; S204-R208 WeakPolarHBondContact O-CB 2.95Å; S204-R208 PolarHBondContact O-N 3.11Å; S204-D752 WeakPolarHBondContact CB-OD2 3.49Å; S204-D752 VanDerWaalsContact OG-CG 3.28Å; S204-D752 PolarHBondContact OG-OD1 3.45Å; S204-D752 PolarHBondContact OG-OD2 3.27Å
205	T	93	Very high	84.5	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-63.1	-48.2	178.1	-83.2	0	0	0	0	112.7	P203 A207 R208 F209 D752 Y773 L777 L780	P203-T205 VanDerWaalsContact C-N 3.32Å; P203-T205 PolarHBondContact O-N 2.96Å; T205-A207 VanDerWaalsContact C-N 3.32Å; T205-A207 PolarHBondContact O-N 3.13Å; T205-R208 WeakPolarHBondContact O-CB 3.09Å; T205-R208 PolarHBondContact O-N 3.08Å; T205-R208 VanDerWaalsContact O-N 3.16Å; T205-R208 PolarHBondContact OG1-NH2 3.38Å; T205-F209 HydrophobicContact CG2-CD2 4.36Å; T205-F209 HydrophobicContact CG2-CE2 4.27Å; T205-F209 WeakPolarHBondContact O-CD2 3.29Å; T205-F209 PolarHBondContact O-N 3.4Å; T205-F209 VanDerWaalsContact O-N 3.16Å; T205-D752 VanDerWaalsContact CB-OD2 3.26Å; T205-D752 WeakPolarHBondContact CB-OD2 3.35Å; T205-D752 PolarHBondContact N-OD2 2.86Å; T205-D752 VanDerWaalsContact OG1-CG 3.3Å; T205-D752 PolarHBondContact OG1-OD2 3.23Å; T205-Y773 HydrophobicContact CG2-CE2 4.11Å; T205-Y773 WeakPolarHBondContact OG1-CE2 3.22Å; T205-Y773 PolarHBondContact OG1-OH 2.78Å; T205-L777 HydrophobicContact CG2-CD2 3.61Å; T205-L780 HydrophobicContact CG2-CD1 3.72Å
206	T	94.9	Very high	81.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.7	-36.6	177.1	-47	0	0	0	0	111.4	L188 F202 P203 R208 F209 L210 L654 L780	L188-T206 HydrophobicContact CD1-CG2 4.25Å; L188-T206 HydrophobicContact CD2-CG2 4.09Å; F202-T206 HydrophobicContact CE1-CG2 4.03Å; F202-T206 HydrophobicContact CZ-CG2 3.95Å; P203-T206 PolarHBondContact O-N 3.07Å; T206-R208 VanDerWaalsContact C-N 3.32Å; T206-R208 PolarHBondContact O-N 2.72Å; T206-F209 PolarHBondContact O-N 3.04Å; T206-L210 PolarHBondContact O-N 3.38Å; T206-L654 WeakPolarHBondContact CG2-O 3.44Å; T206-L654 PolarHBondContact OG1-O 3.16Å; T206-L780 HydrophobicContact CG2-CD2 3.95Å
207	A	93.3	Very high	78.2	Confident	23 Å²	23	58.5 Å²	58.5	19%	0.19	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-38.9	172.9	0	0	0	0	0	112.3	F202 P203 S204 T205 L210 K211	F202-A207 HydrophobicContact CD1-CB 4Å; F202-A207 HydrophobicContact CE1-CB 4.19Å; P203-A207 WeakPolarHBondContact O-CB 3.28Å; P203-A207 PolarHBondContact O-N 2.99Å; S204-A207 WeakPolarHBondContact O-CB 3.47Å; S204-A207 PolarHBondContact O-N 2.96Å; T205-A207 VanDerWaalsContact C-N 3.32Å; T205-A207 PolarHBondContact O-N 3.13Å; A207-L210 PolarHBondContact O-N 2.78Å; A207-K211 WeakPolarHBondContact O-CB 3.27Å; A207-K211 WeakPolarHBondContact O-CG 3.48Å; A207-K211 PolarHBondContact O-N 2.83Å
208	R	91.6	Very high	75.1	Confident	121 Å²	121	64.5 Å²	64.5	46%	0.457	32%	0.318	S	S	.	.	H	α-helix	trans	-63.3	-40.9	175.8	-179.3	176	59.7	-172.3	-8.3	111.6	S204 T205 T206 T212 Y773	S204-R208 WeakPolarHBondContact O-CB 2.95Å; S204-R208 PolarHBondContact O-N 3.11Å; T205-R208 WeakPolarHBondContact O-CB 3.09Å; T205-R208 PolarHBondContact O-N 3.08Å; T205-R208 VanDerWaalsContact O-N 3.16Å; T205-R208 PolarHBondContact OG1-NH2 3.38Å; T206-R208 VanDerWaalsContact C-N 3.32Å; T206-R208 PolarHBondContact O-N 2.72Å; R208-T212 PolarHBondContact O-N 3.23Å; R208-T212 VanDerWaalsContact O-N 3.13Å; R208-T212 PolarHBondContact O-OG1 2.63Å; R208-Y773 PolarHBondContact NH2-OH 3.21Å
209	F	92.4	Very high	72	Confident	37 Å²	37	71.5 Å²	71.5	16%	0.162	35%	0.354	C	S	.	.	H	α-helix	trans	-63.6	-48.7	172.9	-83.7	-86.1	0	0	0	111.8	T205 T206 K211 T212 V213 L777 L780 F784	T205-F209 HydrophobicContact CG2-CD2 4.36Å; T205-F209 HydrophobicContact CG2-CE2 4.27Å; T205-F209 WeakPolarHBondContact O-CD2 3.29Å; T205-F209 PolarHBondContact O-N 3.4Å; T205-F209 VanDerWaalsContact O-N 3.16Å; T206-F209 PolarHBondContact O-N 3.04Å; F209-K211 PolarHBondContact O-N 3.11Å; F209-T212 WeakPolarHBondContact O-CB 3.45Å; F209-T212 PolarHBondContact O-N 3.4Å; F209-V213 PolarHBondContact O-N 3.27Å; F209-L777 HydrophobicContact CE2-CD2 3.82Å; F209-L777 HydrophobicContact CZ-CD2 4.37Å; F209-L780 HydrophobicContact CD1-CB 4.21Å; F209-L780 HydrophobicContact CD2-CB 3.77Å; F209-L780 HydrophobicContact CD2-CD1 3.75Å; F209-L780 HydrophobicContact CD2-CG 4.29Å; F209-L780 HydrophobicContact CE1-CB 4.12Å; F209-L780 HydrophobicContact CE2-CB 3.67Å; F209-L780 HydrophobicContact CE2-CD1 3.95Å; F209-L780 HydrophobicContact CE2-CG 4.46Å; F209-L780 HydrophobicContact CG-CB 4.04Å; F209-L780 HydrophobicContact CZ-CB 3.85Å; F209-F784 HydrophobicContact CB-CD1 4.13Å; F209-F784 HydrophobicContact CB-CD2 3.9Å; F209-F784 HydrophobicContact CB-CE1 4.07Å; F209-F784 HydrophobicContact CB-CE2 3.83Å; F209-F784 HydrophobicContact CB-CG 4.05Å; F209-F784 HydrophobicContact CB-CZ 3.9Å; F209-F784 HydrophobicContact CD1-CB 3.77Å; F209-F784 AromaticContact CD1-CD2 3.96Å; F209-F784 HydrophobicContact CD1-CD2 3.96Å; F209-F784 AromaticContact CD1-CG 3.84Å; F209-F784 HydrophobicContact CD1-CG 3.84Å; F209-F784 HydrophobicContact CE1-CB 4.39Å; F209-F784 HydrophobicContact CG-CD2 4.19Å; F209-F784 HydrophobicContact CG-CG 4.36Å
210	L	90.3	Very high	68.9	Low	14 Å²	14	76 Å²	76	7%	0.073	38%	0.379	C	S	.	.	H	α-helix	trans	-55.8	-45.3	176.3	-74.4	172.1	0	0	0	113	I185 L188 R189 F202 T206 A207 T212 V213 F784	I185-L210 HydrophobicContact CG2-CD2 4.45Å; L188-L210 HydrophobicContact CB-CD1 4.33Å; L188-L210 HydrophobicContact CB-CD2 3.96Å; R189-L210 HydrophobicContact CG-CD2 3.72Å; F202-L210 HydrophobicContact CE1-CD1 3.83Å; F202-L210 HydrophobicContact CZ-CD1 3.77Å; T206-L210 PolarHBondContact O-N 3.38Å; A207-L210 PolarHBondContact O-N 2.78Å; L210-T212 VanDerWaalsContact C-N 3.25Å; L210-T212 PolarHBondContact O-N 3.02Å; L210-V213 PolarHBondContact O-N 2.86Å; L210-F784 HydrophobicContact CD2-CE1 4.13Å; L210-F784 HydrophobicContact CD2-CZ 3.83Å; L210-F784 HydrophobicContact CG-CZ 4.13Å
211	K	81.8	Confident	65.7	Low	99 Å²	99	82.7 Å²	82.7	43%	0.43	42%	0.415	S	S	.	.	H	α-helix	trans	-65.5	-25	175.4	-73.3	-178.8	-178.6	-174.3	0	113.4	A207 F209 V213 K214	A207-K211 WeakPolarHBondContact O-CB 3.27Å; A207-K211 WeakPolarHBondContact O-CG 3.48Å; A207-K211 PolarHBondContact O-N 2.83Å; F209-K211 PolarHBondContact O-N 3.11Å; K211-V213 VanDerWaalsContact C-N 3.32Å; K211-K214 PolarHBondContact O-N 2.88Å
212	T	60.4	Low	62.5	Low	37 Å²	37	85.5 Å²	85.5	23%	0.227	42%	0.423	C	S	.	.	H	α-helix	trans	-77	-20.5	-179.9	-54.8	0	0	0	0	111.9	R208 F209 L210 L215 R218	R208-T212 PolarHBondContact O-N 3.23Å; R208-T212 VanDerWaalsContact O-N 3.13Å; R208-T212 PolarHBondContact O-OG1 2.63Å; F209-T212 WeakPolarHBondContact O-CB 3.45Å; F209-T212 PolarHBondContact O-N 3.4Å; L210-T212 VanDerWaalsContact C-N 3.25Å; L210-T212 PolarHBondContact O-N 3.02Å; T212-L215 HydrophobicContact CG2-CD1 3.95Å; T212-L215 WeakPolarHBondContact O-CD1 3.32Å; T212-R218 PolarHBondContact OG1-NH2 3.42Å
213	V	52.8	Low	59.2	Low	49 Å²	49	89.1 Å²	89.1	30%	0.297	45%	0.45	S	S	.	.	H	α-helix	trans	-74.4	-27.7	171.1	-171.1	0	0	0	0	112.2	F209 L210 K211 L215 F784	F209-V213 PolarHBondContact O-N 3.27Å; L210-V213 PolarHBondContact O-N 2.86Å; K211-V213 VanDerWaalsContact C-N 3.32Å; V213-L215 VanDerWaalsContact C-N 3.25Å; V213-L215 PolarHBondContact O-N 3.41Å; V213-F784 HydrophobicContact CG2-CD1 3.4Å; V213-F784 HydrophobicContact CG2-CE1 3.55Å
214	K	45.7	Very low	56.1	Low	139 Å²	139	93.2 Å²	93.2	60%	0.604	48%	0.475	S	S	*	.			trans	-86.5	46.9	174.8	-68.4	-162.9	175.8	-169.7	0	112.7	K211 K216 D217	K211-K214 PolarHBondContact O-N 2.88Å; K214-K216 PolarHBondContact O-N 3.26Å; K214-D217 PolarHBondContact O-N 3.3Å
215	L	32.4	Very low	53.2	Low	122 Å²	122	98.5 Å²	98.5	64%	0.639	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	28.8	-174.5	-138.2	127	0	0	0	115	T212 V213	T212-L215 HydrophobicContact CG2-CD1 3.95Å; T212-L215 WeakPolarHBondContact O-CD1 3.32Å; V213-L215 VanDerWaalsContact C-N 3.25Å; V213-L215 PolarHBondContact O-N 3.41Å
216	K	31.7	Very low	50	Low	201 Å²	201	107 Å²	107	87%	0.874	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-23	161	-86.1	-177.1	172.5	175.8	0	113.3	K214	K214-K216 PolarHBondContact O-N 3.26Å
217	D	28.6	Very low	46.9	Very low	122 Å²	122	111.4 Å²	111.4	65%	0.652	56%	0.556	S	S	*	*			trans	-115.3	54.2	-171.1	-54.2	-38.6	0	0	0	112.1	K214	K214-D217 PolarHBondContact O-N 3.3Å
218	R	30.1	Very low	43.8	Very low	137 Å²	137	114.2 Å²	114.2	52%	0.517	58%	0.575	S	S	.	*			trans	-116.6	76.5	172.6	-81.5	-164.4	-179.5	-177.6	4	112.2	T212	T212-R218 PolarHBondContact OG1-NH2 3.42Å
219	I	30	Very low	40.7	Very low	148 Å²	148	115.3 Å²	115.3	76%	0.759	59%	0.59	S	S	*	*	S	Bend	trans	-162.1	137.5	144.3	-90.1	138.8	0	0	0	104.5
220	N	28	Very low	37.7	Very low	139 Å²	139	119.5 Å²	119.5	74%	0.743	62%	0.618	S	S	*	*	S	Bend	trans	78.6	144.9	-170.8	-44.9	-35.5	0	0	0	115.1
221	N	26.7	Very low	34.9	Very low	152 Å²	152	124.9 Å²	124.9	81%	0.813	64%	0.642	S	S	*	*			trans	69.1	51.2	170.3	-54.1	-3.8	0	0	0	117.2	P223	N221-P223 WeakPolarHBondContact O-CD 3.45Å
222	L	25.8	Very low	32.3	Very low	131 Å²	131	127.7 Å²	127.7	69%	0.686	66%	0.661	S	S	*	*			trans	-83.7	114.5	135.2	-89	159.7	0	0	0	107.4	V224	L222-V224 PolarHBondContact O-N 3.36Å
223	P	27	Very low	30.7	Very low	111 Å²	111	135.8 Å²	135.8	72%	0.721	69%	0.688	S	S	*	*			trans	-68.7	89.9	153.1	30	-28.3	0	0	0	105.5	N221 K225	N221-P223 WeakPolarHBondContact O-CD 3.45Å; P223-K225 VanDerWaalsContact C-N 3.29Å; P223-K225 PolarHBondContact O-N 3.17Å
224	V	29	Very low	29.6	Very low	114 Å²	114	139.3 Å²	139.3	69%	0.691	70%	0.701	S	S	*	*			trans	-55	110.7	148.3	177	0	0	0	0	103.2	L222 E226	L222-V224 PolarHBondContact O-N 3.36Å; V224-E226 PolarHBondContact O-N 2.92Å
225	K	31.4	Very low	29	Very low	172 Å²	172	137.6 Å²	137.6	75%	0.748	71%	0.706	S	S	*	*			trans	-60.7	99.1	163.4	-121.3	173.5	-179.6	170.9	0	103.2	P223 V227	P223-K225 VanDerWaalsContact C-N 3.29Å; P223-K225 PolarHBondContact O-N 3.17Å; K225-V227 HydrophobicContact CB-CG2 4.48Å; K225-V227 PolarHBondContact O-N 2.96Å
226	E	26.9	Very low	29.4	Very low	178 Å²	178	136.9 Å²	136.9	83%	0.832	71%	0.709	S	S	*	*			trans	-59.3	89.4	154.3	-76.2	-167.8	156.4	0	0	104.1	V224 S228	V224-E226 PolarHBondContact O-N 2.92Å; E226-S228 PolarHBondContact O-N 2.85Å
227	V	28.6	Very low	29.8	Very low	94 Å²	94	133.9 Å²	133.9	57%	0.57	70%	0.7	S	S	*	*			trans	-60.6	97	159.8	178.9	0	0	0	0	102.3	K225 D229	K225-V227 HydrophobicContact CB-CG2 4.48Å; K225-V227 PolarHBondContact O-N 2.96Å; V227-D229 PolarHBondContact O-N 3.14Å
228	S	27.9	Very low	30.8	Very low	82 Å²	82	137.4 Å²	137.4	57%	0.573	71%	0.709	S	S	*	*			trans	-49.6	137.9	-179.6	43.7	0	0	0	0	107.9	E226 V230	E226-S228 PolarHBondContact O-N 2.85Å; S228-V230 PolarHBondContact O-N 3.34Å
229	D	27.8	Very low	32.2	Very low	144 Å²	144	136.3 Å²	136.3	77%	0.77	71%	0.712	S	S	*	*			trans	-66.6	71	177.6	-100.7	-38	0	0	0	109.5	V227 H231	V227-D229 PolarHBondContact O-N 3.14Å; D229-H231 PolarHBondContact O-N 3.5Å; D229-H231 PolarHBondContact O-ND1 3Å; D229-H231 VanDerWaalsContact O-ND1 3.11Å
230	V	29.7	Very low	34.1	Very low	125 Å²	125	136.2 Å²	136.2	76%	0.758	72%	0.719	S	S	*	*			trans	-75.2	63.3	169.1	-172	0	0	0	0	107.4	S228	S228-V230 PolarHBondContact O-N 3.34Å
231	H	31.2	Very low	36.8	Very low	126 Å²	126	133.4 Å²	133.4	58%	0.583	70%	0.704	S	S	*	*			trans	40.6	91.9	156.8	-77.4	52.7	0	0	0	114.6	D229 R233	D229-H231 PolarHBondContact O-N 3.5Å; D229-H231 PolarHBondContact O-ND1 3Å; D229-H231 VanDerWaalsContact O-ND1 3.11Å; H231-R233 PolarHBondContact O-N 3.16Å
232	L	27	Very low	39.8	Very low	158 Å²	158	127 Å²	127	83%	0.827	67%	0.67	S	S	*	*	S	Bend	trans	-58.6	26.2	159.8	-101.2	147.4	0	0	0	114.2
233	R	25.8	Very low	43	Very low	207 Å²	207	121.2 Å²	121.2	78%	0.781	64%	0.64	S	S	*	*			trans	-107.7	17.7	-178.4	-76.4	-165.8	170.5	-161.2	-0.2	114.2	H231	H231-R233 PolarHBondContact O-N 3.16Å
234	H	30.1	Very low	46.1	Very low	123 Å²	123	122 Å²	122	57%	0.569	64%	0.638	S	S	*	*			trans	-120.8	85.9	174.3	-62.4	103.4	0	0	0	112.2
235	S	34	Very low	49.1	Very low	104 Å²	104	117.9 Å²	117.9	73%	0.727	61%	0.613	S	S	*	*	S	Bend		-45.1	142	129.6	-175.2	0	0	0	0	107.6	M237	S235-M237 PolarHBondContact O-N 2.73Å
236	P	40.9	Very low	51.9	Low	107 Å²	107	118 Å²	118	70%	0.695	62%	0.616	S	S	*	*			trans	-63.9	87.1	-174.1	26.6	-35.2	0	0	0	110.6	K238	P236-K238 PolarHBondContact O-N 3.49Å; P236-K238 VanDerWaalsContact O-N 3.1Å
237	M	39.1	Very low	55.1	Low	138 Å²	138	112.7 Å²	112.7	68%	0.68	59%	0.59	S	S	*	*			trans	-52.3	118.9	158.1	-76.2	-168.1	177.5	0	0	104.2	S235 I239	S235-M237 PolarHBondContact O-N 2.73Å; M237-I239 PolarHBondContact O-N 2.84Å
238	K	49.5	Very low	58.2	Low	196 Å²	196	110 Å²	110	85%	0.852	58%	0.575	S	S	*	*			trans	-49.7	107.9	178.7	-74.8	-178.4	172.1	-175.4	0	107.3	P236 T240	P236-K238 PolarHBondContact O-N 3.49Å; P236-K238 VanDerWaalsContact O-N 3.1Å; K238-T240 PolarHBondContact O-N 3.03Å
239	I	59.8	Low	61.4	Low	113 Å²	113	112.4 Å²	112.4	58%	0.579	58%	0.581	S	S	*	*			trans	-64.3	106.3	-179	-58.4	175.1	0	0	0	104.7	M237 N241 P242	M237-I239 PolarHBondContact O-N 2.84Å; I239-N241 PolarHBondContact O-N 3.13Å; I239-P242 HydrophobicContact CG2-CB 4.45Å
240	T	69.5	Low	64.6	Low	147 Å²	147	108 Å²	108	90%	0.902	56%	0.557	S	S	*	*	S	Bend	trans	-67.2	-25.6	-168.2	43.8	0	0	0	0	112	K238	K238-T240 PolarHBondContact O-N 3.03Å
241	N	84.7	Confident	67.7	Low	79 Å²	79	105.6 Å²	105.6	42%	0.422	54%	0.538	S	S	.	.			trans	-150.4	116.8	163.6	-178.9	-11	0	0	0	108.8	I239 W243 N244	I239-N241 PolarHBondContact O-N 3.13Å; N241-W243 PolarHBondContact O-N 2.91Å; N241-W243 WeakPolarHBondContact OD1-CB 3.34Å; N241-W243 PolarHBondContact OD1-N 3.47Å; N241-N244 HydrophobicContact CB-CB 4.22Å; N241-N244 PolarHBondContact O-N 2.93Å
242	P	90	Very high	70.5	Confident	17 Å²	17	105.1 Å²	105.1	11%	0.11	54%	0.54	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.8	179.9	27.5	-35.2	0	0	0	112.9	I239 N244 Y493 Y549	I239-P242 HydrophobicContact CG2-CB 4.45Å; P242-N244 PolarHBondContact O-N 2.92Å; P242-Y493 HydrophobicContact CB-CD1 3.74Å; P242-Y493 HydrophobicContact CB-CD2 3.55Å; P242-Y493 HydrophobicContact CB-CE1 3.78Å; P242-Y493 HydrophobicContact CB-CE2 3.61Å; P242-Y493 HydrophobicContact CB-CG 3.61Å; P242-Y493 HydrophobicContact CG-CD1 3.57Å; P242-Y493 HydrophobicContact CG-CD2 3.97Å; P242-Y493 HydrophobicContact CG-CE1 4.06Å; P242-Y493 HydrophobicContact CG-CE2 4.43Å; P242-Y493 HydrophobicContact CG-CG 3.5Å; P242-Y493 VanDerWaalsContact CG-CG 3.5Å; P242-Y549 PolarHBondContact O-OH 2.9Å
243	W	93.7	Very high	73.7	Confident	11 Å²	11	99.2 Å²	99.2	4%	0.042	51%	0.507	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-1	-179.8	-47.9	107.7	0	0	0	113.6	N241 V245 A487 I488 D491 R545 Y549	N241-W243 PolarHBondContact O-N 2.91Å; N241-W243 WeakPolarHBondContact OD1-CB 3.34Å; N241-W243 PolarHBondContact OD1-N 3.47Å; W243-V245 PolarHBondContact O-N 2.88Å; W243-V245 VanDerWaalsContact O-N 3.15Å; W243-A487 HydrophobicContact CH2-CB 4.2Å; W243-I488 HydrophobicContact CD2-CG1 3.89Å; W243-I488 HydrophobicContact CE3-CD1 4.41Å; W243-I488 HydrophobicContact CE3-CG1 3.75Å; W243-I488 HydrophobicContact CG-CG1 4.34Å; W243-I488 HydrophobicContact CZ3-CG1 4.12Å; W243-D491 PolarHBondContact NE1-OD1 3.32Å; W243-R545 WeakPolarHBondContact O-CD 3.48Å; W243-R545 WeakPolarHBondContact O-CG 3.29Å; W243-R545 PolarHBondContact O-NE 3.36Å; W243-R545 VanDerWaalsContact O-NE 3.15Å; W243-Y549 HydrophobicContact CE3-CD2 4.18Å; W243-Y549 AromaticContact CE3-CE2 3.91Å; W243-Y549 HydrophobicContact CE3-CE2 3.91Å; W243-Y549 HydrophobicContact CH2-CD2 4.33Å; W243-Y549 AromaticContact CZ3-CD2 3.63Å; W243-Y549 HydrophobicContact CZ3-CD2 3.63Å; W243-Y549 AromaticContact CZ3-CE2 3.81Å; W243-Y549 HydrophobicContact CZ3-CE2 3.81Å
244	N	91.7	Very high	77	Confident	127 Å²	127	92.7 Å²	92.7	68%	0.679	49%	0.485	S	S	*	.			trans	-85.7	79.9	174.5	-169.4	56.6	0	0	0	110.8	N241 P242	N241-N244 HydrophobicContact CB-CB 4.22Å; N241-N244 PolarHBondContact O-N 2.93Å; P242-N244 PolarHBondContact O-N 2.92Å
245	V	90.9	Very high	80.1	Confident	28 Å²	28	88.2 Å²	88.2	17%	0.17	47%	0.465	C	S	.	.			trans	-98.6	160.8	-178.6	-46.7	0	0	0	0	111.4	W243 F247 R545 Q548	W243-V245 PolarHBondContact O-N 2.88Å; W243-V245 VanDerWaalsContact O-N 3.15Å; V245-F247 HydrophobicContact CG2-CD2 4.31Å; V245-F247 HydrophobicContact CG2-CE2 3.83Å; V245-F247 HydrophobicContact CG2-CZ 4.45Å; V245-F247 WeakPolarHBondContact O-CD2 3.36Å; V245-R545 HydrophobicContact CG1-CG 4.38Å; V245-R545 HydrophobicContact CG2-CB 4.43Å; V245-R545 HydrophobicContact CG2-CG 3.65Å; V245-Q548 HydrophobicContact CB-CG 4.18Å; V245-Q548 HydrophobicContact CG1-CB 4.47Å; V245-Q548 HydrophobicContact CG1-CG 3.88Å; V245-Q548 HydrophobicContact CG2-CG 4.37Å
246	E	91	Very high	83	Confident	174 Å²	174	86.3 Å²	86.3	81%	0.813	44%	0.444	S	S	*	.			trans	-74.8	144.6	173.2	-171.4	169.1	-176.6	0	0	111.6	H544	E246-H544 PolarHBondContact O-NE2 2.65Å
247	F	94.1	Very high	85.6	Confident	67 Å²	67	82.9 Å²	82.9	29%	0.294	42%	0.421	S	S	.	.			trans	-115.1	110.6	-180	-80.4	-104.6	0	0	0	109.5	V245 P537 P541 H544 R545	V245-F247 HydrophobicContact CG2-CD2 4.31Å; V245-F247 HydrophobicContact CG2-CE2 3.83Å; V245-F247 HydrophobicContact CG2-CZ 4.45Å; V245-F247 WeakPolarHBondContact O-CD2 3.36Å; F247-P537 HydrophobicContact CD1-CB 4.12Å; F247-P537 WeakPolarHBondContact CE1-O 3.45Å; F247-P541 HydrophobicContact CE1-CB 3.76Å; F247-P541 HydrophobicContact CZ-CB 3.85Å; F247-H544 AromaticContact CD1-CD2 3.81Å; F247-H544 HydrophobicContact CE1-CB 4.34Å; F247-H544 AromaticContact CE1-CD2 3.72Å; F247-H544 AromaticContact CZ-CD2 3.91Å; F247-R545 HydrophobicContact CE2-CG 4.41Å; F247-R545 HydrophobicContact CZ-CG 4.17Å
248	P	94	Very high	88.2	Confident	38 Å²	38	79 Å²	79	25%	0.247	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-58.8	157.8	165	-24.7	36.7	0	0	0	111.3	P537 M608	P248-P537 VanDerWaalsContact O-CG 3.3Å; P248-P537 WeakPolarHBondContact O-CG 3.44Å; P248-M608 HydrophobicContact CB-CE 4.08Å; P248-M608 HydrophobicContact CG-CE 3.79Å; P248-M608 HydrophobicContact CG-CG 4.27Å
249	N	94.9	Very high	90.3	Very high	131 Å²	131	74.3 Å²	74.3	70%	0.701	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-61.9	148.1	177.9	-66.5	-30.8	0	0	0	111.4	R606	N249-R606 VanDerWaalsContact O-CZ 3.31Å; N249-R606 PolarHBondContact O-NH1 2.86Å; N249-R606 PolarHBondContact O-NH2 2.75Å
250	D	96	Very high	92	Very high	51 Å²	51	69 Å²	69	27%	0.273	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-70.3	138.8	169.4	-78.4	10.4	0	0	0	110.3	R536 P537 S538	D250-R536 HydrophobicContact CB-CB 4.19Å; D250-R536 HydrophobicContact CB-CG 4.08Å; D250-R536 VanDerWaalsContact CG-CA 3.48Å; D250-R536 VanDerWaalsContact OD1-CA 3.24Å; D250-R536 WeakPolarHBondContact OD1-CA 3.3Å; D250-P537 VanDerWaalsContact OD1-CD 3.3Å; D250-P537 WeakPolarHBondContact OD1-CD 3.49Å; D250-S538 VanDerWaalsContact OD1-CB 3.24Å; D250-S538 WeakPolarHBondContact OD1-CB 3.42Å; D250-S538 PolarHBondContact OD1-N 2.85Å; D250-S538 PolarHBondContact OD1-OG 3.1Å; D250-S538 PolarHBondContact OD2-OG 3.02Å
251	E	93.5	Very high	93.4	Very high	75 Å²	75	62 Å²	62	35%	0.35	32%	0.317	S	S	.	.			trans	-129.3	134	174.3	-72	172.7	-143.6	0	0	109.2	F253 A535 R536 R606	E251-F253 VanDerWaalsContact C-N 3.3Å; E251-F253 HydrophobicContact CB-CD2 3.8Å; E251-F253 HydrophobicContact CB-CE2 3.42Å; E251-F253 VanDerWaalsContact CB-CE2 3.42Å; E251-F253 HydrophobicContact CB-CZ 4.17Å; E251-F253 HydrophobicContact CG-CE2 4.29Å; E251-F253 PolarHBondContact O-N 3.21Å; E251-F253 VanDerWaalsContact O-N 3.08Å; E251-F253 WeakPolarHBondContact OE2-CE2 3.42Å; E251-F253 WeakPolarHBondContact OE2-CZ 3.34Å; E251-A535 PolarHBondContact N-O 3.14Å; E251-R536 WeakPolarHBondContact O-CG 3.35Å; E251-R606 VanDerWaalsContact CD-CZ 3.43Å; E251-R606 IonicContact OE1-CZ 2.83Å; E251-R606 IonicContact OE1-NE 3.91Å; E251-R606 PolarHBondContact OE1-NE 3.15Å; E251-R606 VanDerWaalsContact OE1-NE 3.13Å; E251-R606 IonicContact OE1-NH1 2.86Å; E251-R606 IonicContact OE1-NH2 2.65Å; E251-R606 PolarHBondContact OE1-NH2 3.47Å; E251-R606 IonicContact OE2-CZ 2.78Å; E251-R606 IonicContact OE2-NE 3.97Å
252	D	90.6	Very high	94	Very high	116 Å²	116	58.3 Å²	58.3	62%	0.62	30%	0.297	S	S	*	.			trans	-89	61.5	-172.6	-79.5	-51.7	0	0	0	112.4	R536 K539	D252-R536 VanDerWaalsContact OD1-CD 3.28Å; D252-R536 WeakPolarHBondContact OD1-CD 3.44Å; D252-R536 IonicContact OD1-CZ 3.4Å; D252-R536 IonicContact OD1-NH1 3.47Å; D252-R536 PolarHBondContact OD1-NH1 3.11Å; D252-K539 IonicContact OD1-NZ 3.83Å
253	F	93.3	Very high	94.3	Very high	34 Å²	34	58.8 Å²	58.8	15%	0.149	30%	0.298	C	S	.	.			trans	-71.1	144	171.4	-65.8	-69.3	0	0	0	112.6	E251 I264 E266 I274 A535 F602	E251-F253 VanDerWaalsContact C-N 3.3Å; E251-F253 HydrophobicContact CB-CD2 3.8Å; E251-F253 HydrophobicContact CB-CE2 3.42Å; E251-F253 VanDerWaalsContact CB-CE2 3.42Å; E251-F253 HydrophobicContact CB-CZ 4.17Å; E251-F253 HydrophobicContact CG-CE2 4.29Å; E251-F253 PolarHBondContact O-N 3.21Å; E251-F253 VanDerWaalsContact O-N 3.08Å; E251-F253 WeakPolarHBondContact OE2-CE2 3.42Å; E251-F253 WeakPolarHBondContact OE2-CZ 3.34Å; F253-I264 HydrophobicContact CB-CG2 4.04Å; F253-I264 HydrophobicContact CD1-CG2 3.91Å; F253-I264 HydrophobicContact CG-CG2 4.04Å; F253-E266 HydrophobicContact CE1-CG 4.48Å; F253-I274 HydrophobicContact CD1-CD1 4.09Å; F253-I274 HydrophobicContact CE1-CD1 3.52Å; F253-I274 HydrophobicContact CZ-CD1 4.24Å; F253-A535 HydrophobicContact CB-CB 4.49Å; F253-A535 HydrophobicContact CD2-CB 4.26Å; F253-F602 AromaticContact CD2-CE2 3.65Å; F253-F602 HydrophobicContact CD2-CE2 3.65Å; F253-F602 AromaticContact CD2-CZ 3.55Å; F253-F602 HydrophobicContact CD2-CZ 3.55Å; F253-F602 AromaticContact CE2-CE2 3.63Å; F253-F602 HydrophobicContact CE2-CE2 3.63Å; F253-F602 AromaticContact CE2-CZ 3.99Å; F253-F602 HydrophobicContact CE2-CZ 3.99Å; F253-F602 HydrophobicContact CG-CE2 4.34Å; F253-F602 HydrophobicContact CG-CZ 4.24Å; F253-F602 HydrophobicContact CZ-CE2 4.35Å
254	K	94.9	Very high	94.4	Very high	70 Å²	70	58.3 Å²	58.3	30%	0.304	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.9	167.8	-176.9	59.9	152	-135.2	0	109.7	I264 Y265 D268	K254-I264 CarbonylContact O-C 3.21Å; K254-I264 WeakPolarHBondContact O-CA 3.39Å; K254-Y265 PolarHBondContact N-O 3.22Å; K254-Y265 PolarHBondContact O-N 3.42Å; K254-D268 WeakPolarHBondContact CD-OD1 3.47Å; K254-D268 IonicContact NZ-OD1 2.86Å; K254-D268 PolarHBondContact NZ-OD1 2.96Å
255	I	95.9	Very high	94.6	Very high	29 Å²	29	53 Å²	53	15%	0.149	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.9	-179.9	-63	144.6	0	0	0	108.7	F262 H263 I264 L528 F531 A535	I255-F262 HydrophobicContact CG2-CD1 3.59Å; I255-F262 HydrophobicContact CG2-CE1 4.22Å; I255-F262 HydrophobicContact CG2-CG 4.4Å; I255-H263 WeakPolarHBondContact CA-O 3.38Å; I255-I264 HydrophobicContact CG1-CG1 4.43Å; I255-L528 HydrophobicContact CB-CD1 4.3Å; I255-L528 HydrophobicContact CG2-CD1 3.68Å; I255-F531 HydrophobicContact CD1-CB 3.78Å; I255-F531 HydrophobicContact CG1-CB 4.16Å; I255-F531 HydrophobicContact CG2-CB 3.83Å; I255-F531 HydrophobicContact CG2-CG 4.16Å; I255-A535 HydrophobicContact CD1-CB 4.22Å
256	K	94.7	Very high	94.6	Very high	65 Å²	65	57 Å²	57	28%	0.283	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	133.2	-176.8	-178.8	173.6	-178.9	173.2	0	111.6	L258 H263 Y265 E270	K256-L258 HydrophobicContact CD-CD2 4.31Å; K256-L258 HydrophobicContact CG-CD2 4.36Å; K256-H263 PolarHBondContact N-O 2.65Å; K256-H263 PolarHBondContact O-N 3.42Å; K256-Y265 HydrophobicContact CB-CE2 4.3Å; K256-E270 VanDerWaalsContact CD-OE1 3.29Å; K256-E270 WeakPolarHBondContact CD-OE1 3.32Å; K256-E270 IonicContact NZ-OE1 2.82Å; K256-E270 PolarHBondContact NZ-OE1 3.42Å; K256-E270 IonicContact NZ-OE2 2.76Å; K256-E270 PolarHBondContact NZ-OE2 3.18Å
257	P	95.5	Very high	94.3	Very high	35 Å²	35	52.2 Å²	52.2	23%	0.227	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	137.4	169.2	31.7	-30.8	0	0	0	110.1	V261 F262 Q520	P257-V261 CarbonylContact C-O 3.58Å; P257-V261 WeakPolarHBondContact CA-O 3.33Å; P257-F262 HydrophobicContact CB-CD1 4.17Å; P257-F262 HydrophobicContact CB-CE1 3.84Å; P257-F262 HydrophobicContact CB-CZ 4.06Å; P257-F262 HydrophobicContact CG-CE1 4.02Å; P257-F262 HydrophobicContact CG-CZ 4.39Å; P257-Q520 VanDerWaalsContact CB-NE2 3.33Å
258	L	94.2	Very high	93.8	Very high	56 Å²	56	54.9 Å²	54.9	29%	0.293	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.8	167.1	-61.3	177.7	0	0	0	108.1	K256 G260 V261 H263 Y265	K256-L258 HydrophobicContact CD-CD2 4.31Å; K256-L258 HydrophobicContact CG-CD2 4.36Å; L258-G260 PolarHBondContact O-N 3.04Å; L258-V261 PolarHBondContact N-O 3.44Å; L258-V261 PolarHBondContact O-N 3.33Å; L258-H263 HydrophobicContact CD1-CB 4.39Å; L258-Y265 WeakPolarHBondContact CD1-OH 3.24Å
259	N	93.9	Very high	93.4	Very high	98 Å²	98	58.5 Å²	58.5	52%	0.524	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	27.3	176.6	-59.6	-47.7	0	0	0	114.4	R573 E575 Y591	N259-R573 HydrophobicContact CB-CG 4.43Å; N259-E575 PolarHBondContact N-OE1 2.99Å; N259-Y591 VanDerWaalsContact O-CE1 3.27Å; N259-Y591 WeakPolarHBondContact O-CE1 3.31Å; N259-Y591 PolarHBondContact O-OH 3.28Å; N259-Y591 VanDerWaalsContact O-OH 3.12Å
260	G	96	Very high	93	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	-7.5	-176.4	0	0	0	0	0	117.3	L258 Y591 N595	L258-G260 PolarHBondContact O-N 3.04Å; G260-Y591 WeakPolarHBondContact O-CD1 3.39Å; G260-N595 PolarHBondContact O-ND2 2.9Å
261	V	97.6	Very high	92.4	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.3	-179.2	-172.4	0	0	0	0	110.3	P257 L258 H263 Y278 Y591 A594 N595 V598	P257-V261 CarbonylContact C-O 3.58Å; P257-V261 WeakPolarHBondContact CA-O 3.33Å; L258-V261 PolarHBondContact N-O 3.44Å; L258-V261 PolarHBondContact O-N 3.33Å; V261-H263 PolarHBondContact O-CD2 2.73Å; V261-Y278 HydrophobicContact CB-CE2 4.13Å; V261-Y278 HydrophobicContact CG1-CD1 4.29Å; V261-Y278 HydrophobicContact CG1-CD2 4.33Å; V261-Y278 HydrophobicContact CG1-CE1 3.88Å; V261-Y278 HydrophobicContact CG1-CE2 3.93Å; V261-Y278 HydrophobicContact CG2-CD2 4.43Å; V261-Y278 HydrophobicContact CG2-CE2 3.79Å; V261-Y591 HydrophobicContact CG2-CD1 4.35Å; V261-Y591 HydrophobicContact CG2-CE1 4.28Å; V261-A594 HydrophobicContact CG1-CB 4.38Å; V261-A594 HydrophobicContact CG2-CB 3.81Å; V261-N595 VanDerWaalsContact CA-OD1 3.32Å; V261-N595 WeakPolarHBondContact CA-OD1 3.4Å; V261-V598 HydrophobicContact CG1-CG2 3.99Å
262	F	97.4	Very high	92.2	Very high	1 Å²	1	55.3 Å²	55.3	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	129.3	177	-79.1	-78.4	0	0	0	112.2	I255 P257 N524 F527 L528 F531 N595 V598	I255-F262 HydrophobicContact CG2-CD1 3.59Å; I255-F262 HydrophobicContact CG2-CE1 4.22Å; I255-F262 HydrophobicContact CG2-CG 4.4Å; P257-F262 HydrophobicContact CB-CD1 4.17Å; P257-F262 HydrophobicContact CB-CE1 3.84Å; P257-F262 HydrophobicContact CB-CZ 4.06Å; P257-F262 HydrophobicContact CG-CE1 4.02Å; P257-F262 HydrophobicContact CG-CZ 4.39Å; F262-N524 WeakPolarHBondContact CZ-OD1 3.43Å; F262-F527 HydrophobicContact CD2-CB 3.82Å; F262-F527 HydrophobicContact CE2-CB 3.69Å; F262-L528 HydrophobicContact CE1-CB 4.09Å; F262-L528 HydrophobicContact CE1-CD1 3.92Å; F262-L528 HydrophobicContact CE1-CG 4.48Å; F262-L528 HydrophobicContact CZ-CB 3.87Å; F262-F531 HydrophobicContact CB-CD2 3.89Å; F262-F531 HydrophobicContact CB-CE1 4.28Å; F262-F531 HydrophobicContact CB-CE2 3.41Å; F262-F531 VanDerWaalsContact CB-CE2 3.41Å; F262-F531 HydrophobicContact CB-CZ 3.63Å; F262-F531 HydrophobicContact CD1-CD2 4.44Å; F262-F531 AromaticContact CD2-CD2 3.99Å; F262-F531 HydrophobicContact CD2-CD2 3.99Å; F262-F531 AromaticContact CD2-CE2 3.7Å; F262-F531 HydrophobicContact CD2-CE2 3.7Å; F262-F531 AromaticContact CG-CD2 3.83Å; F262-F531 HydrophobicContact CG-CD2 3.83Å; F262-F531 AromaticContact CG-CE2 3.68Å; F262-F531 HydrophobicContact CG-CE2 3.68Å; F262-F531 HydrophobicContact CG-CZ 4.39Å; F262-N595 VanDerWaalsContact CD2-OD1 3.28Å; F262-N595 WeakPolarHBondContact CD2-OD1 3.41Å; F262-N595 PolarHBondContact N-OD1 3.38Å; F262-V598 WeakPolarHBondContact O-CG1 3.5Å
263	H	96.7	Very high	92.3	Very high	27 Å²	27	52.9 Å²	52.9	13%	0.125	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	152.5	171.4	-66.7	-110	0	0	0	110.1	I255 K256 L258 V261 Y265 E273 Y278	I255-H263 WeakPolarHBondContact CA-O 3.38Å; K256-H263 PolarHBondContact N-O 2.65Å; K256-H263 PolarHBondContact O-N 3.42Å; L258-H263 HydrophobicContact CD1-CB 4.39Å; V261-H263 PolarHBondContact O-CD2 2.73Å; H263-Y265 HydrophobicContact CB-CE2 3.87Å; H263-E273 IonicContact CE1-OE1 3.49Å; H263-E273 IonicContact CG-OE1 2.84Å; H263-E273 IonicContact ND1-OE1 3.84Å; H263-E273 PolarHBondContact ND1-OE1 3.32Å; H263-Y278 PolarHBondContact NE2-OH 3.26Å
264	I	96.4	Very high	92.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.5	-174.9	-64.9	159.2	0	0	0	108.6	F253 K254 I255 I274 Y276 F531 V598 F602	F253-I264 HydrophobicContact CB-CG2 4.04Å; F253-I264 HydrophobicContact CD1-CG2 3.91Å; F253-I264 HydrophobicContact CG-CG2 4.04Å; K254-I264 CarbonylContact O-C 3.21Å; K254-I264 WeakPolarHBondContact O-CA 3.39Å; I255-I264 HydrophobicContact CG1-CG1 4.43Å; I264-I274 HydrophobicContact CG2-CB 4.5Å; I264-I274 HydrophobicContact CG2-CD1 4.22Å; I264-I274 PolarHBondContact O-N 3.32Å; I264-Y276 HydrophobicContact CD1-CD2 4.12Å; I264-Y276 HydrophobicContact CD1-CE2 3.7Å; I264-F531 HydrophobicContact CD1-CD1 3.99Å; I264-F531 HydrophobicContact CD1-CE1 3.88Å; I264-F531 HydrophobicContact CG1-CD1 4.37Å; I264-F531 HydrophobicContact CG1-CE1 4.47Å; I264-V598 HydrophobicContact CD1-CG1 4.27Å; I264-F602 HydrophobicContact CD1-CB 3.59Å; I264-F602 HydrophobicContact CD1-CD1 3.6Å; I264-F602 HydrophobicContact CD1-CD2 3.98Å; I264-F602 HydrophobicContact CD1-CE1 4.21Å; I264-F602 HydrophobicContact CD1-CG 3.46Å; I264-F602 VanDerWaalsContact CD1-CG 3.46Å
265	Y	96	Very high	92.1	Very high	16 Å²	16	57.6 Å²	57.6	6%	0.063	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.4	177.8	-51.8	-102.2	0	0	0	110.3	K254 K256 L258 H263 N267 E270 S272 E273	K254-Y265 PolarHBondContact N-O 3.22Å; K254-Y265 PolarHBondContact O-N 3.42Å; K256-Y265 HydrophobicContact CB-CE2 4.3Å; L258-Y265 WeakPolarHBondContact CD1-OH 3.24Å; H263-Y265 HydrophobicContact CB-CE2 3.87Å; Y265-N267 VanDerWaalsContact C-N 3.25Å; Y265-N267 PolarHBondContact O-N 2.96Å; Y265-E270 HydrophobicContact CD1-CB 4.02Å; Y265-E270 WeakPolarHBondContact CD1-O 3.45Å; Y265-E270 HydrophobicContact CE1-CB 4.07Å; Y265-E270 WeakPolarHBondContact CE1-O 3.48Å; Y265-E270 HydrophobicContact CG-CB 4.36Å; Y265-S272 CarbonylContact C-O 3.4Å; Y265-S272 VanDerWaalsContact CA-O 3.23Å; Y265-S272 WeakPolarHBondContact CA-O 3.1Å; Y265-E273 HydrophobicContact CD1-CB 3.69Å; Y265-E273 HydrophobicContact CD1-CG 4.09Å; Y265-E273 HydrophobicContact CE1-CB 3.62Å; Y265-E273 HydrophobicContact CE1-CG 3.77Å
266	E	91.1	Very high	92.1	Very high	112 Å²	112	58.2 Å²	58.2	52%	0.523	30%	0.298	S	S	.	.	S	Bend	trans	-67.8	-26.7	178.5	-63	-177.6	150.3	0	0	112.6	F253 S272 I274	F253-E266 HydrophobicContact CE1-CG 4.48Å; E266-S272 PolarHBondContact N-O 3.42Å; E266-I274 HydrophobicContact CG-CD1 3.88Å; E266-I274 HydrophobicContact CG-CG1 3.76Å
267	N	84.7	Confident	92	Very high	73 Å²	73	62.4 Å²	62.4	39%	0.39	32%	0.319	S	S	.	.	S	Bend	trans	-128	150.4	-173.1	-59.6	-44.2	0	0	0	111.2	Y265 D269 E270 S271	Y265-N267 VanDerWaalsContact C-N 3.25Å; Y265-N267 PolarHBondContact O-N 2.96Å; N267-D269 WeakPolarHBondContact CB-OD1 3.21Å; N267-D269 PolarHBondContact O-N 2.88Å; N267-E270 PolarHBondContact O-N 3.43Å; N267-S271 PolarHBondContact ND2-OG 3.41Å
268	D	82.9	Confident	91.9	Very high	123 Å²	123	63.5 Å²	63.5	66%	0.658	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.5	178.3	-111.2	-32.2	0	0	0	114.3	K254 E270	K254-D268 WeakPolarHBondContact CD-OD1 3.47Å; K254-D268 IonicContact NZ-OD1 2.86Å; K254-D268 PolarHBondContact NZ-OD1 2.96Å; D268-E270 VanDerWaalsContact C-N 3.28Å; D268-E270 PolarHBondContact O-N 2.83Å
269	D	84.8	Confident	91.9	Very high	114 Å²	114	60.8 Å²	60.8	61%	0.61	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	4.8	179.5	71.6	-11.6	0	0	0	114	N267 S271	N267-D269 WeakPolarHBondContact CB-OD1 3.21Å; N267-D269 PolarHBondContact O-N 2.88Å; D269-S271 VanDerWaalsContact CG-OG 3.31Å; D269-S271 PolarHBondContact O-N 3.23Å; D269-S271 VanDerWaalsContact O-N 3.1Å; D269-S271 WeakPolarHBondContact OD1-CB 3.41Å; D269-S271 PolarHBondContact OD1-N 3.38Å; D269-S271 VanDerWaalsContact OD1-N 3.13Å; D269-S271 PolarHBondContact OD1-OG 3.03Å; D269-S271 PolarHBondContact OD2-OG 3.06Å
270	E	87.1	Confident	91.9	Very high	74 Å²	74	60.1 Å²	60.1	35%	0.346	30%	0.301	S	S	.	.	S	Bend	trans	58.7	17.1	-179	-55.3	179.6	-167.5	0	0	113.8	K256 Y265 N267 D268	K256-E270 VanDerWaalsContact CD-OE1 3.29Å; K256-E270 WeakPolarHBondContact CD-OE1 3.32Å; K256-E270 IonicContact NZ-OE1 2.82Å; K256-E270 PolarHBondContact NZ-OE1 3.42Å; K256-E270 IonicContact NZ-OE2 2.76Å; K256-E270 PolarHBondContact NZ-OE2 3.18Å; Y265-E270 HydrophobicContact CD1-CB 4.02Å; Y265-E270 WeakPolarHBondContact CD1-O 3.45Å; Y265-E270 HydrophobicContact CE1-CB 4.07Å; Y265-E270 WeakPolarHBondContact CE1-O 3.48Å; Y265-E270 HydrophobicContact CG-CB 4.36Å; N267-E270 PolarHBondContact O-N 3.43Å; D268-E270 VanDerWaalsContact C-N 3.28Å; D268-E270 PolarHBondContact O-N 2.83Å
271	S	82.8	Confident	91.7	Very high	73 Å²	73	60.2 Å²	60.2	51%	0.51	30%	0.301	S	S	.	.			trans	-72.4	-29.7	-175.3	61.2	0	0	0	0	114.9	N267 D269	N267-S271 PolarHBondContact ND2-OG 3.41Å; D269-S271 VanDerWaalsContact CG-OG 3.31Å; D269-S271 PolarHBondContact O-N 3.23Å; D269-S271 VanDerWaalsContact O-N 3.1Å; D269-S271 WeakPolarHBondContact OD1-CB 3.41Å; D269-S271 PolarHBondContact OD1-N 3.38Å; D269-S271 VanDerWaalsContact OD1-N 3.13Å; D269-S271 PolarHBondContact OD1-OG 3.03Å; D269-S271 PolarHBondContact OD2-OG 3.06Å
272	S	89.8	Confident	91.6	Very high	44 Å²	44	62.1 Å²	62.1	31%	0.308	32%	0.315	S	S	.	.	S	Bend	trans	-131.1	91	-166.8	-57.7	0	0	0	0	109.6	Y265 E266	Y265-S272 CarbonylContact C-O 3.4Å; Y265-S272 VanDerWaalsContact CA-O 3.23Å; Y265-S272 WeakPolarHBondContact CA-O 3.1Å; E266-S272 PolarHBondContact N-O 3.42Å
273	E	93	Very high	91.5	Very high	65 Å²	65	65 Å²	65	30%	0.304	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-84.2	127.6	-178.5	-169.7	-166.9	163.4	0	0	111.5	H263 Y265 K275	H263-E273 IonicContact CE1-OE1 3.49Å; H263-E273 IonicContact CG-OE1 2.84Å; H263-E273 IonicContact ND1-OE1 3.84Å; H263-E273 PolarHBondContact ND1-OE1 3.32Å; Y265-E273 HydrophobicContact CD1-CB 3.69Å; Y265-E273 HydrophobicContact CD1-CG 4.09Å; Y265-E273 HydrophobicContact CE1-CB 3.62Å; Y265-E273 HydrophobicContact CE1-CG 3.77Å; E273-K275 HydrophobicContact CB-CG 4.4Å; E273-K275 VanDerWaalsContact CD-CE 3.48Å; E273-K275 HydrophobicContact CG-CG 4.04Å; E273-K275 PolarHBondContact O-N 2.95Å; E273-K275 WeakPolarHBondContact OE2-CE 3.49Å; E273-K275 IonicContact OE2-NZ 3.67Å
274	I	93.3	Very high	91.5	Very high	40 Å²	40	63.7 Å²	63.7	21%	0.205	32%	0.322	C	S	.	.			trans	-81.5	95.5	167.8	-52.4	-178	0	0	0	108.2	F253 I264 E266 Y276	F253-I274 HydrophobicContact CD1-CD1 4.09Å; F253-I274 HydrophobicContact CE1-CD1 3.52Å; F253-I274 HydrophobicContact CZ-CD1 4.24Å; I264-I274 HydrophobicContact CG2-CB 4.5Å; I264-I274 HydrophobicContact CG2-CD1 4.22Å; I264-I274 PolarHBondContact O-N 3.32Å; E266-I274 HydrophobicContact CG-CD1 3.88Å; E266-I274 HydrophobicContact CG-CG1 3.76Å; I274-Y276 HydrophobicContact CB-CE2 4.14Å; I274-Y276 HydrophobicContact CG2-CD2 4.24Å; I274-Y276 HydrophobicContact CG2-CE1 3.96Å; I274-Y276 HydrophobicContact CG2-CE2 3.58Å; I274-Y276 VanDerWaalsContact CG2-CZ 3.45Å; I274-Y276 WeakPolarHBondContact O-CD2 3.38Å; I274-Y276 PolarHBondContact O-N 2.79Å
275	K	91.4	Very high	91.4	Very high	162 Å²	162	63.7 Å²	63.7	70%	0.704	32%	0.322	S	S	*	.			trans	-74.8	110.9	-178.8	-69.5	-173	172.6	-174	0	111.6	E273	E273-K275 HydrophobicContact CB-CG 4.4Å; E273-K275 VanDerWaalsContact CD-CE 3.48Å; E273-K275 HydrophobicContact CG-CG 4.04Å; E273-K275 PolarHBondContact O-N 2.95Å; E273-K275 WeakPolarHBondContact OE2-CE 3.49Å; E273-K275 IonicContact OE2-NZ 3.67Å
276	Y	94.1	Very high	91.4	Very high	42 Å²	42	66.7 Å²	66.7	17%	0.165	34%	0.339	C	S	.	.			trans	-101.5	131.4	169	-63.2	-65.2	0	0	0	109.6	I264 I274 Y278 V598 K601 F602 S605	I264-Y276 HydrophobicContact CD1-CD2 4.12Å; I264-Y276 HydrophobicContact CD1-CE2 3.7Å; I274-Y276 HydrophobicContact CB-CE2 4.14Å; I274-Y276 HydrophobicContact CG2-CD2 4.24Å; I274-Y276 HydrophobicContact CG2-CE1 3.96Å; I274-Y276 HydrophobicContact CG2-CE2 3.58Å; I274-Y276 VanDerWaalsContact CG2-CZ 3.45Å; I274-Y276 WeakPolarHBondContact O-CD2 3.38Å; I274-Y276 PolarHBondContact O-N 2.79Å; Y276-Y278 WeakPolarHBondContact O-CD1 3.31Å; Y276-V598 HydrophobicContact CD2-CG1 3.88Å; Y276-V598 HydrophobicContact CG-CG1 4.42Å; Y276-K601 HydrophobicContact CD1-CB 3.26Å; Y276-K601 HydrophobicContact CD1-CG 4.07Å; Y276-K601 HydrophobicContact CD2-CB 4.49Å; Y276-K601 HydrophobicContact CE1-CB 3.67Å; Y276-K601 HydrophobicContact CG-CB 3.69Å; Y276-K601 HydrophobicContact CG-CG 4.43Å; Y276-F602 HydrophobicContact CE2-CB 4.05Å; Y276-S605 PolarHBondContact OH-OG 3.22Å
277	E	92.9	Very high	91.7	Very high	154 Å²	154	62.3 Å²	62.3	72%	0.72	32%	0.32	S	S	*	.			trans	-72.6	131.5	-178.7	-66.5	-175.9	164.7	0	0	112	T597	E277-T597 WeakPolarHBondContact O-CG2 3.48Å
278	Y	94.9	Very high	92.2	Very high	57 Å²	57	59.3 Å²	59.3	22%	0.224	30%	0.303	C	S	.	.			trans	-147.1	153.9	167.4	65.6	-85.8	0	0	0	107.9	V261 H263 Y276 D280 A594 V598	V261-Y278 HydrophobicContact CB-CE2 4.13Å; V261-Y278 HydrophobicContact CG1-CD1 4.29Å; V261-Y278 HydrophobicContact CG1-CD2 4.33Å; V261-Y278 HydrophobicContact CG1-CE1 3.88Å; V261-Y278 HydrophobicContact CG1-CE2 3.93Å; V261-Y278 HydrophobicContact CG2-CD2 4.43Å; V261-Y278 HydrophobicContact CG2-CE2 3.79Å; H263-Y278 PolarHBondContact NE2-OH 3.26Å; Y276-Y278 WeakPolarHBondContact O-CD1 3.31Å; Y278-D280 PolarHBondContact O-N 3.04Å; Y278-A594 HydrophobicContact CD2-CB 4.05Å; Y278-V598 HydrophobicContact CD1-CG2 3.53Å; Y278-V598 HydrophobicContact CE1-CG2 4.09Å; Y278-V598 HydrophobicContact CG-CG2 4.18Å
279	P	93.7	Very high	92.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.292	C	S	.	.			trans	-70.5	128.5	176.5	28.6	-29.4	0	0	0	108.7	Y194 M197 Q283 Y590 Y593	Y194-P279 HydrophobicContact CD1-CG 4.15Å; Y194-P279 HydrophobicContact CE1-CB 4.23Å; Y194-P279 HydrophobicContact CE1-CG 3.61Å; M197-P279 HydrophobicContact CE-CB 3.97Å; M197-P279 HydrophobicContact CE-CG 3.83Å; M197-P279 HydrophobicContact SD-CG 4.48Å; P279-Q283 HydrophobicContact CB-CB 4.41Å; P279-Q283 HydrophobicContact CB-CG 4.23Å; P279-Y590 WeakPolarHBondContact O-CE2 3.5Å; P279-Y590 PolarHBondContact O-OH 3.26Å; P279-Y593 HydrophobicContact CG-CD1 4.42Å; P279-Y593 HydrophobicContact CG-CE1 3.7Å
280	D	93.2	Very high	93.3	Very high	84 Å²	84	54.4 Å²	54.4	45%	0.449	28%	0.276	S	S	.	.			trans	-68.6	167.2	172.2	74.3	44.1	0	0	0	111.3	Y278 S282 Q283 F284	Y278-D280 PolarHBondContact O-N 3.04Å; D280-S282 PolarHBondContact O-N 3.11Å; D280-S282 WeakPolarHBondContact OD1-CA 3.37Å; D280-S282 WeakPolarHBondContact OD1-CB 3.5Å; D280-S282 PolarHBondContact OD1-N 2.71Å; D280-Q283 PolarHBondContact O-N 2.78Å; D280-Q283 PolarHBondContact OD1-N 2.91Å; D280-F284 PolarHBondContact O-N 2.66Å
281	M	93.1	Very high	93.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-35	-177	176.7	-179.8	-101.5	0	0	111.8	F284 V285 F567 V571 R573 Y587 Y590 Y591	M281-F284 PolarHBondContact O-N 2.9Å; M281-V285 HydrophobicContact CG-CG2 4.26Å; M281-V285 WeakPolarHBondContact O-CB 3.5Å; M281-V285 WeakPolarHBondContact O-CG2 3.5Å; M281-V285 PolarHBondContact O-N 3.38Å; M281-F567 HydrophobicContact CE-CE2 4.16Å; M281-F567 HydrophobicContact CE-CZ 3.72Å; M281-F567 HydrophobicContact CG-CE1 4.39Å; M281-F567 HydrophobicContact CG-CZ 4.27Å; M281-V571 HydrophobicContact CE-CG2 3.51Å; M281-V571 HydrophobicContact SD-CG2 3.74Å; M281-R573 VanDerWaalsContact SD-CZ 3.58Å; M281-R573 PolarHBondContact SD-NH1 3.04Å; M281-Y587 HydrophobicContact CE-CE2 4.4Å; M281-Y590 HydrophobicContact CB-CE1 4.08Å; M281-Y590 HydrophobicContact CE-CE1 4.44Å; M281-Y590 PolarHBondContact N-OH 2.96Å; M281-Y591 HydrophobicContact CE-CE2 3.67Å; M281-Y591 WeakPolarHBondContact CE-OH 3.35Å
282	S	94.4	Very high	94.4	Very high	42 Å²	42	49 Å²	49	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-74.1	-38.6	-177.9	-64.7	0	0	0	0	111.6	D280 N286 N569	D280-S282 PolarHBondContact O-N 3.11Å; D280-S282 WeakPolarHBondContact OD1-CA 3.37Å; D280-S282 WeakPolarHBondContact OD1-CB 3.5Å; D280-S282 PolarHBondContact OD1-N 2.71Å; S282-N286 WeakPolarHBondContact O-CB 3.42Å; S282-N286 PolarHBondContact O-N 2.78Å; S282-N286 PolarHBondContact O-ND2 2.95Å; S282-N569 WeakPolarHBondContact CA-OD1 3.27Å; S282-N569 WeakPolarHBondContact CB-OD1 3.31Å; S282-N569 PolarHBondContact OG-OD1 3.01Å
283	Q	95.4	Very high	94.7	Very high	62 Å²	62	52.4 Å²	52.4	29%	0.29	26%	0.26	S	S	.	.	H	α-helix	trans	-58.6	-50	167.4	-177.5	177.7	-3.3	0	0	110.6	H193 P279 D280 V285 N286 D287	H193-Q283 PolarHBondContact NE2-NE2 3.41Å; P279-Q283 HydrophobicContact CB-CB 4.41Å; P279-Q283 HydrophobicContact CB-CG 4.23Å; D280-Q283 PolarHBondContact O-N 2.78Å; D280-Q283 PolarHBondContact OD1-N 2.91Å; Q283-V285 PolarHBondContact O-N 2.96Å; Q283-N286 PolarHBondContact O-N 3.38Å; Q283-D287 WeakPolarHBondContact CG-OD2 3.34Å; Q283-D287 WeakPolarHBondContact O-CB 3.34Å; Q283-D287 VanDerWaalsContact O-CG 3.23Å; Q283-D287 PolarHBondContact O-N 3.36Å
284	F	95.8	Very high	94.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-43.3	-180	170.1	-117.5	0	0	0	113.3	Y194 D280 M281 N286 D287 M288 F567 Y590 L631 M632	Y194-F284 HydrophobicContact CE1-CD2 4.32Å; Y194-F284 WeakPolarHBondContact OH-CA 3.18Å; D280-F284 PolarHBondContact O-N 2.66Å; M281-F284 PolarHBondContact O-N 2.9Å; F284-N286 VanDerWaalsContact C-N 3.33Å; F284-N286 PolarHBondContact O-N 2.82Å; F284-D287 PolarHBondContact O-N 3.11Å; F284-M288 HydrophobicContact CE1-SD 4.3Å; F284-M288 HydrophobicContact CE2-CB 4.1Å; F284-M288 HydrophobicContact CE2-SD 4.42Å; F284-M288 HydrophobicContact CZ-CB 4.33Å; F284-M288 HydrophobicContact CZ-SD 3.77Å; F284-M288 WeakPolarHBondContact O-CB 3.46Å; F284-M288 PolarHBondContact O-N 3.14Å; F284-F567 HydrophobicContact CD1-CD1 4.3Å; F284-F567 AromaticContact CD1-CE1 3.5Å; F284-F567 HydrophobicContact CD1-CE1 3.5Å; F284-F567 HydrophobicContact CD1-CZ 4.14Å; F284-F567 AromaticContact CE1-CD1 3.89Å; F284-F567 HydrophobicContact CE1-CD1 3.89Å; F284-F567 AromaticContact CE1-CE1 3.42Å; F284-F567 HydrophobicContact CE1-CE1 3.42Å; F284-F567 VanDerWaalsContact CE1-CE1 3.42Å; F284-F567 HydrophobicContact CE1-CZ 4.03Å; F284-Y590 HydrophobicContact CB-CD2 3.71Å; F284-Y590 HydrophobicContact CB-CE2 3.83Å; F284-Y590 AromaticContact CD1-CD2 3.36Å; F284-Y590 HydrophobicContact CD1-CD2 3.36Å; F284-Y590 HydrophobicContact CD1-CE2 4.22Å; F284-Y590 AromaticContact CD1-CG 3.65Å; F284-Y590 HydrophobicContact CD1-CG 3.65Å; F284-Y590 HydrophobicContact CE1-CD2 4.18Å; F284-Y590 HydrophobicContact CE1-CG 4.12Å; F284-Y590 AromaticContact CG-CD2 3.59Å; F284-Y590 HydrophobicContact CG-CD2 3.59Å; F284-Y590 HydrophobicContact CG-CE2 4.25Å; F284-Y590 HydrophobicContact CG-CG 4.34Å; F284-L631 HydrophobicContact CD2-CD1 4.46Å; F284-L631 HydrophobicContact CE2-CD1 4.18Å; F284-M632 HydrophobicContact CD2-CE 4.2Å; F284-M632 HydrophobicContact CD2-SD 4.29Å; F284-M632 HydrophobicContact CE1-CE 4.3Å; F284-M632 HydrophobicContact CE2-CE 3.4Å; F284-M632 VanDerWaalsContact CE2-CE 3.4Å; F284-M632 HydrophobicContact CE2-SD 4.08Å; F284-M632 HydrophobicContact CZ-CE 3.47Å; F284-M632 VanDerWaalsContact CZ-CE 3.47Å; F284-M632 HydrophobicContact CZ-SD 4.42Å
285	V	95.4	Very high	95	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.3	-47.6	174.1	166.2	0	0	0	0	110.6	M281 Q283 M288 Q289 F567 D568	M281-V285 HydrophobicContact CG-CG2 4.26Å; M281-V285 WeakPolarHBondContact O-CB 3.5Å; M281-V285 WeakPolarHBondContact O-CG2 3.5Å; M281-V285 PolarHBondContact O-N 3.38Å; Q283-V285 PolarHBondContact O-N 2.96Å; V285-M288 PolarHBondContact O-N 3.05Å; V285-Q289 WeakPolarHBondContact O-CB 3.43Å; V285-Q289 VanDerWaalsContact O-CG 3.28Å; V285-Q289 WeakPolarHBondContact O-CG 3.38Å; V285-Q289 PolarHBondContact O-N 2.6Å; V285-F567 HydrophobicContact CG2-CD1 3.67Å; V285-F567 HydrophobicContact CG2-CE1 3.55Å; V285-D568 WeakPolarHBondContact CG2-O 3.25Å
286	N	95.9	Very high	95.2	Very high	78 Å²	78	44.9 Å²	44.9	42%	0.417	24%	0.241	S	C	.	.	H	α-helix	trans	-64.3	-46.7	179.9	-68.1	-25.6	0	0	0	111.6	S282 Q283 F284 M288 Q289 V290	S282-N286 WeakPolarHBondContact O-CB 3.42Å; S282-N286 PolarHBondContact O-N 2.78Å; S282-N286 PolarHBondContact O-ND2 2.95Å; Q283-N286 PolarHBondContact O-N 3.38Å; F284-N286 VanDerWaalsContact C-N 3.33Å; F284-N286 PolarHBondContact O-N 2.82Å; N286-M288 VanDerWaalsContact C-N 3.34Å; N286-M288 PolarHBondContact O-N 3.44Å; N286-Q289 PolarHBondContact O-N 3.48Å; N286-V290 WeakPolarHBondContact O-CG2 3.44Å; N286-V290 PolarHBondContact O-N 3.08Å
287	D	96.5	Very high	95.3	Very high	21 Å²	21	44.1 Å²	44.1	11%	0.112	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-39.5	178.7	-67.5	-20.6	0	0	0	111.6	L190 Y194 Q283 F284 V290 M291 L631	L190-D287 HydrophobicContact CD1-CB 4.44Å; L190-D287 HydrophobicContact CD2-CB 4.27Å; L190-D287 WeakPolarHBondContact CD2-OD1 3.33Å; Y194-D287 VanDerWaalsContact CE2-OD2 3.25Å; Y194-D287 WeakPolarHBondContact CE2-OD2 3.3Å; Y194-D287 PolarHBondContact OH-OD2 2.99Å; Q283-D287 WeakPolarHBondContact CG-OD2 3.34Å; Q283-D287 WeakPolarHBondContact O-CB 3.34Å; Q283-D287 VanDerWaalsContact O-CG 3.23Å; Q283-D287 PolarHBondContact O-N 3.36Å; F284-D287 PolarHBondContact O-N 3.11Å; D287-V290 PolarHBondContact O-N 3.15Å; D287-M291 WeakPolarHBondContact O-CG 3.13Å; D287-M291 PolarHBondContact O-N 3.41Å; D287-L631 HydrophobicContact CB-CD1 4.4Å
288	M	95.1	Very high	95.3	Very high	10 Å²	10	38.6 Å²	38.6	5%	0.049	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-40.1	173.7	-176.4	177.8	175.6	0	0	111.5	F284 V285 N286 M291 C292 A586 Q624 V627	F284-M288 HydrophobicContact CE1-SD 4.3Å; F284-M288 HydrophobicContact CE2-CB 4.1Å; F284-M288 HydrophobicContact CE2-SD 4.42Å; F284-M288 HydrophobicContact CZ-CB 4.33Å; F284-M288 HydrophobicContact CZ-SD 3.77Å; F284-M288 WeakPolarHBondContact O-CB 3.46Å; F284-M288 PolarHBondContact O-N 3.14Å; V285-M288 PolarHBondContact O-N 3.05Å; N286-M288 VanDerWaalsContact C-N 3.34Å; N286-M288 PolarHBondContact O-N 3.44Å; M288-M291 PolarHBondContact O-N 2.91Å; M288-C292 WeakPolarHBondContact O-CB 3.3Å; M288-C292 PolarHBondContact O-N 3.19Å; M288-C292 PolarHBondContact O-SG 2.94Å; M288-A586 HydrophobicContact CE-CB 4.09Å; M288-A586 HydrophobicContact SD-CB 4.13Å; M288-Q624 HydrophobicContact CE-CB 3.83Å; M288-Q624 HydrophobicContact CE-CG 4.08Å; M288-V627 HydrophobicContact CG-CG1 4.09Å
289	Q	94.7	Very high	95.3	Very high	90 Å²	90	38.5 Å²	38.5	42%	0.421	23%	0.23	S	C	.	.	H	α-helix	trans	-65.7	-41.5	174.5	-74.7	177.9	14.7	0	0	112.2	V285 N286 M291 C292 N293	V285-Q289 WeakPolarHBondContact O-CB 3.43Å; V285-Q289 VanDerWaalsContact O-CG 3.28Å; V285-Q289 WeakPolarHBondContact O-CG 3.38Å; V285-Q289 PolarHBondContact O-N 2.6Å; N286-Q289 PolarHBondContact O-N 3.48Å; Q289-M291 PolarHBondContact O-N 3.2Å; Q289-C292 PolarHBondContact O-N 3.07Å; Q289-N293 WeakPolarHBondContact O-CB 3.47Å; Q289-N293 VanDerWaalsContact O-CG 3.23Å; Q289-N293 PolarHBondContact O-N 2.79Å; Q289-N293 PolarHBondContact O-ND2 3.09Å; Q289-N293 VanDerWaalsContact O-ND2 3.17Å
290	V	96.3	Very high	95.4	Very high	44 Å²	44	38.5 Å²	38.5	27%	0.267	23%	0.23	S	C	.	.	H	α-helix	trans	-56.7	-49.4	173.2	168.3	0	0	0	0	110.4	L190 N286 D287 C292 N293 M294	L190-V290 HydrophobicContact CD1-CG1 4.08Å; N286-V290 WeakPolarHBondContact O-CG2 3.44Å; N286-V290 PolarHBondContact O-N 3.08Å; D287-V290 PolarHBondContact O-N 3.15Å; V290-C292 PolarHBondContact O-N 3.19Å; V290-N293 PolarHBondContact O-N 3.26Å; V290-M294 HydrophobicContact CG1-CE 3.56Å; V290-M294 HydrophobicContact CG1-SD 4.32Å; V290-M294 WeakPolarHBondContact O-CG 3.38Å; V290-M294 PolarHBondContact O-N 3.2Å
291	M	97	Very high	95.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.3	-41.6	175.7	-71	-61.4	-53.2	0	0	112.9	A187 L190 D287 M288 Q289 N293 M294 I295 V627 F630 L631 L648 L651	A187-M291 HydrophobicContact CB-CE 4.19Å; A187-M291 HydrophobicContact CB-SD 3.65Å; L190-M291 HydrophobicContact CD1-CG 4.25Å; L190-M291 HydrophobicContact CD1-SD 4.22Å; D287-M291 WeakPolarHBondContact O-CG 3.13Å; D287-M291 PolarHBondContact O-N 3.41Å; M288-M291 PolarHBondContact O-N 2.91Å; Q289-M291 PolarHBondContact O-N 3.2Å; M291-N293 VanDerWaalsContact C-N 3.32Å; M291-N293 PolarHBondContact O-N 3.33Å; M291-M294 PolarHBondContact O-N 3.45Å; M291-M294 HydrophobicContact SD-SD 4.12Å; M291-I295 PolarHBondContact O-N 3.13Å; M291-V627 HydrophobicContact CB-CG1 3.45Å; M291-V627 VanDerWaalsContact CB-CG1 3.45Å; M291-V627 HydrophobicContact CB-CG2 4.5Å; M291-V627 HydrophobicContact CG-CG1 4.08Å; M291-F630 HydrophobicContact CE-CD1 3.5Å; M291-F630 HydrophobicContact CE-CE1 3.71Å; M291-F630 HydrophobicContact CE-CG 4.37Å; M291-F630 HydrophobicContact SD-CD1 4.11Å; M291-F630 HydrophobicContact SD-CE1 3.99Å; M291-L631 HydrophobicContact CG-CD1 4.21Å; M291-L631 HydrophobicContact CG-CD2 4.1Å; M291-L631 HydrophobicContact CG-CG 4.33Å; M291-L648 HydrophobicContact CE-CD2 3.81Å; M291-L651 HydrophobicContact CE-CD1 3.82Å
292	C	95.5	Very high	95.6	Very high	33 Å²	33	42.9 Å²	42.9	22%	0.223	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-36.8	175.6	-78.2	0	0	0	0	112.5	M288 Q289 V290 I295 A296	M288-C292 WeakPolarHBondContact O-CB 3.3Å; M288-C292 PolarHBondContact O-N 3.19Å; M288-C292 PolarHBondContact O-SG 2.94Å; Q289-C292 PolarHBondContact O-N 3.07Å; V290-C292 PolarHBondContact O-N 3.19Å; C292-I295 WeakPolarHBondContact O-CG1 3.3Å; C292-A296 PolarHBondContact O-N 3.43Å
293	N	96.1	Very high	95.6	Very high	116 Å²	116	41.1 Å²	41.1	62%	0.62	24%	0.242	S	C	*	.	H	α-helix	trans	-68.5	-41.1	174.1	-69.1	-31.6	0	0	0	111.3	Q289 V290 M291 A296 D297	Q289-N293 WeakPolarHBondContact O-CB 3.47Å; Q289-N293 VanDerWaalsContact O-CG 3.23Å; Q289-N293 PolarHBondContact O-N 2.79Å; Q289-N293 PolarHBondContact O-ND2 3.09Å; Q289-N293 VanDerWaalsContact O-ND2 3.17Å; V290-N293 PolarHBondContact O-N 3.26Å; M291-N293 VanDerWaalsContact C-N 3.32Å; M291-N293 PolarHBondContact O-N 3.33Å; N293-A296 PolarHBondContact O-N 3.04Å; N293-D297 PolarHBondContact O-N 3.3Å; N293-D297 VanDerWaalsContact O-N 3.08Å
294	M	97.1	Very high	95.6	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.034	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-41.5	176.4	-70.4	173.3	-179	0	0	113.1	L183 E186 A187 V290 M291 A296 D297 L300	L183-M294 HydrophobicContact CB-CE 4.26Å; L183-M294 HydrophobicContact CB-CG 4.35Å; L183-M294 HydrophobicContact CD2-CE 3.99Å; L183-M294 HydrophobicContact CD2-CG 4.23Å; L183-M294 WeakPolarHBondContact O-CE 3.3Å; E186-M294 HydrophobicContact CB-CE 3.78Å; E186-M294 HydrophobicContact CG-CE 3.76Å; E186-M294 VanDerWaalsContact OE2-CE 3.23Å; E186-M294 WeakPolarHBondContact OE2-CE 3.34Å; A187-M294 HydrophobicContact CB-SD 3.88Å; V290-M294 HydrophobicContact CG1-CE 3.56Å; V290-M294 HydrophobicContact CG1-SD 4.32Å; V290-M294 WeakPolarHBondContact O-CG 3.38Å; V290-M294 PolarHBondContact O-N 3.2Å; M291-M294 PolarHBondContact O-N 3.45Å; M291-M294 HydrophobicContact SD-SD 4.12Å; M294-A296 PolarHBondContact O-N 2.99Å; M294-D297 PolarHBondContact O-N 2.9Å; M294-L300 HydrophobicContact CB-CD2 4.01Å; M294-L300 HydrophobicContact CG-CD2 4.44Å
295	I	96.4	Very high	95.6	Very high	25 Å²	25	45 Å²	45	13%	0.128	26%	0.255	C	S	.	.	H	α-helix	trans	-69.8	-21.3	177.9	65.3	172.9	0	0	0	113.1	M291 C292 V623 V627 V645 V647 L648	M291-I295 PolarHBondContact O-N 3.13Å; C292-I295 WeakPolarHBondContact O-CG1 3.3Å; I295-V623 HydrophobicContact CD1-CG2 4.1Å; I295-V627 HydrophobicContact CD1-CG2 4.32Å; I295-V645 HydrophobicContact CB-CG1 3.98Å; I295-V645 HydrophobicContact CG2-CG1 3.9Å; I295-V647 HydrophobicContact CG2-CB 4.23Å; I295-V647 HydrophobicContact CG2-CG1 4.37Å; I295-L648 HydrophobicContact CG2-CD1 4.11Å; I295-L648 HydrophobicContact CG2-CD2 4.06Å; I295-L648 HydrophobicContact CG2-CG 3.69Å
296	A	95.2	Very high	95.6	Very high	77 Å²	77	51.3 Å²	51.3	64%	0.636	28%	0.279	S	S	*	.	H	α-helix	trans	-88.1	-17.8	176.6	0	0	0	0	0	113.3	C292 N293 M294 G298	C292-A296 PolarHBondContact O-N 3.43Å; N293-A296 PolarHBondContact O-N 3.04Å; M294-A296 PolarHBondContact O-N 2.99Å; A296-G298 PolarHBondContact O-N 3.13Å
297	D	95.8	Very high	95.6	Very high	25 Å²	25	48.6 Å²	48.6	13%	0.134	26%	0.263	C	S	.	.			trans	-64.9	114.5	179.4	-174.3	-84.8	0	0	0	111.6	R179 N293 M294 P299 L300 K301	R179-D297 IonicContact CZ-OD2 3.48Å; R179-D297 IonicContact NE-OD2 3.52Å; R179-D297 IonicContact NH2-OD2 2.69Å; R179-D297 PolarHBondContact NH2-OD2 3.06Å; N293-D297 PolarHBondContact O-N 3.3Å; N293-D297 VanDerWaalsContact O-N 3.08Å; M294-D297 PolarHBondContact O-N 2.9Å; D297-P299 VanDerWaalsContact OD1-CD 3.31Å; D297-P299 WeakPolarHBondContact OD1-CD 3.3Å; D297-L300 HydrophobicContact CB-CB 4.02Å; D297-L300 PolarHBondContact O-N 3.2Å; D297-L300 WeakPolarHBondContact OD1-CB 3.3Å; D297-L300 PolarHBondContact OD1-N 2.89Å; D297-K301 VanDerWaalsContact O-CB 3.23Å; D297-K301 WeakPolarHBondContact O-CB 3.35Å; D297-K301 PolarHBondContact O-N 2.99Å
298	G	94.6	Very high	95.6	Very high	38 Å²	38	47.7 Å²	47.7	39%	0.392	26%	0.258	S	S	.	.	H	α-helix	trans	-61.6	-48.7	-175.3	0	0	0	0	0	114.5	A296 K301 S302	A296-G298 PolarHBondContact O-N 3.13Å; G298-K301 PolarHBondContact O-N 3.16Å; G298-S302 WeakPolarHBondContact O-CB 3.26Å; G298-S302 PolarHBondContact O-N 3.26Å; G298-S302 PolarHBondContact O-OG 3.26Å
299	P	93.6	Very high	95.7	Very high	56 Å²	56	49.1 Å²	49.1	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-56.8	-51.8	173.1	-27.6	35.8	0	0	0	113	D297 K301 S302 F303	D297-P299 VanDerWaalsContact OD1-CD 3.31Å; D297-P299 WeakPolarHBondContact OD1-CD 3.3Å; P299-K301 PolarHBondContact O-N 3.26Å; P299-S302 WeakPolarHBondContact O-CB 3.39Å; P299-S302 PolarHBondContact O-N 3.37Å; P299-S302 VanDerWaalsContact O-N 3.11Å; P299-F303 PolarHBondContact O-N 3.1Å
300	L	95.6	Very high	95.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-41.8	179.7	176.5	58.8	0	0	0	112.1	A180 L183 L184 M294 D297 S302 F303 C304 V647	A180-L300 HydrophobicContact CB-CD1 3.85Å; L183-L300 HydrophobicContact CB-CD2 3.86Å; L183-L300 HydrophobicContact CD1-CB 4.45Å; L183-L300 HydrophobicContact CD1-CD2 3.92Å; L184-L300 HydrophobicContact CD1-CD1 4.13Å; L184-L300 HydrophobicContact CD2-CD1 4.07Å; L184-L300 HydrophobicContact CG-CD1 3.8Å; M294-L300 HydrophobicContact CB-CD2 4.01Å; M294-L300 HydrophobicContact CG-CD2 4.44Å; D297-L300 HydrophobicContact CB-CB 4.02Å; D297-L300 PolarHBondContact O-N 3.2Å; D297-L300 WeakPolarHBondContact OD1-CB 3.3Å; D297-L300 PolarHBondContact OD1-N 2.89Å; L300-S302 VanDerWaalsContact C-N 3.32Å; L300-S302 PolarHBondContact O-N 3.17Å; L300-F303 PolarHBondContact O-N 3Å; L300-C304 VanDerWaalsContact CD1-SG 3.57Å; L300-C304 WeakPolarHBondContact O-CB 3.41Å; L300-C304 PolarHBondContact O-N 2.82Å; L300-C304 PolarHBondContact O-SG 3.28Å; L300-V647 HydrophobicContact CD2-CG1 3.87Å; L300-V647 HydrophobicContact CD2-CG2 4.45Å; L300-V647 HydrophobicContact CG-CG1 4.11Å; L300-V647 HydrophobicContact CG-CG2 4.01Å
301	K	95.9	Very high	95.7	Very high	99 Å²	99	45.2 Å²	45.2	43%	0.43	25%	0.245	S	C	.	.	H	α-helix	trans	-59.8	-42.2	174.3	-178.7	176.3	-180	175.2	0	112	D297 G298 P299 Y305 P646 V647	D297-K301 VanDerWaalsContact O-CB 3.23Å; D297-K301 WeakPolarHBondContact O-CB 3.35Å; D297-K301 PolarHBondContact O-N 2.99Å; G298-K301 PolarHBondContact O-N 3.16Å; P299-K301 PolarHBondContact O-N 3.26Å; K301-Y305 VanDerWaalsContact O-CB 3.31Å; K301-Y305 WeakPolarHBondContact O-CB 3.41Å; K301-Y305 PolarHBondContact O-N 2.73Å; K301-P646 HydrophobicContact CG-CG 4.3Å; K301-V647 HydrophobicContact CB-CG2 4.09Å
302	S	94.4	Very high	95.7	Very high	77 Å²	77	46 Å²	46	54%	0.538	25%	0.251	S	S	.	.	H	α-helix	trans	-67.9	-42.6	178.7	-56.4	0	0	0	0	111.6	G298 P299 L300 R306	G298-S302 WeakPolarHBondContact O-CB 3.26Å; G298-S302 PolarHBondContact O-N 3.26Å; G298-S302 PolarHBondContact O-OG 3.26Å; P299-S302 WeakPolarHBondContact O-CB 3.39Å; P299-S302 PolarHBondContact O-N 3.37Å; P299-S302 VanDerWaalsContact O-N 3.11Å; L300-S302 VanDerWaalsContact C-N 3.32Å; L300-S302 PolarHBondContact O-N 3.17Å; S302-R306 WeakPolarHBondContact O-CB 3.41Å; S302-R306 PolarHBondContact O-N 3.2Å
303	F	94.4	Very high	95.7	Very high	5 Å²	5	47.7 Å²	47.7	2%	0.022	26%	0.263	C	S	.	.	H	α-helix	trans	-59.3	-54.3	173.5	175	-103.2	0	0	0	111.7	V172 L177 A180 L184 P299 L300 Y305 R306 R307 Y650	V172-F303 HydrophobicContact CG1-CD2 4.43Å; V172-F303 HydrophobicContact CG2-CD2 3.83Å; V172-F303 HydrophobicContact CG2-CE2 4.13Å; L177-F303 HydrophobicContact CD1-CD2 4.34Å; L177-F303 HydrophobicContact CD1-CE2 3.42Å; L177-F303 VanDerWaalsContact CD1-CE2 3.42Å; L177-F303 HydrophobicContact CD1-CZ 3.7Å; A180-F303 HydrophobicContact CB-CB 4.14Å; A180-F303 HydrophobicContact CB-CD1 3.7Å; A180-F303 HydrophobicContact CB-CE1 4.24Å; A180-F303 HydrophobicContact CB-CG 3.87Å; L184-F303 HydrophobicContact CD1-CD1 4.13Å; L184-F303 HydrophobicContact CD1-CE1 3.74Å; P299-F303 PolarHBondContact O-N 3.1Å; L300-F303 PolarHBondContact O-N 3Å; F303-Y305 VanDerWaalsContact C-N 3.33Å; F303-Y305 PolarHBondContact O-N 3.39Å; F303-R306 WeakPolarHBondContact O-CB 3.39Å; F303-R306 PolarHBondContact O-N 2.93Å; F303-R306 VanDerWaalsContact O-N 3.08Å; F303-R307 HydrophobicContact CD1-CG 4.33Å; F303-R307 HydrophobicContact CD2-CG 4.43Å; F303-R307 HydrophobicContact CE1-CG 3.89Å; F303-R307 HydrophobicContact CE2-CG 3.99Å; F303-R307 HydrophobicContact CZ-CG 3.71Å; F303-R307 WeakPolarHBondContact O-CG 3.3Å; F303-R307 PolarHBondContact O-N 2.97Å; F303-Y650 HydrophobicContact CE1-CE1 4.14Å
304	C	96.8	Very high	95.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-41.7	-178.5	-65	0	0	0	0	111.5	L300 R306 R307 L308 P646 V647 Y650	L300-C304 VanDerWaalsContact CD1-SG 3.57Å; L300-C304 WeakPolarHBondContact O-CB 3.41Å; L300-C304 PolarHBondContact O-N 2.82Å; L300-C304 PolarHBondContact O-SG 3.28Å; C304-R306 VanDerWaalsContact C-N 3.35Å; C304-R306 PolarHBondContact O-N 3.17Å; C304-R307 PolarHBondContact O-N 2.95Å; C304-L308 WeakPolarHBondContact O-CB 3.3Å; C304-L308 VanDerWaalsContact O-CG 3.25Å; C304-L308 WeakPolarHBondContact O-CG 3.28Å; C304-L308 PolarHBondContact O-N 3.1Å; C304-P646 HydrophobicContact CB-CB 4.22Å; C304-V647 HydrophobicContact CB-CG2 4.43Å; C304-Y650 HydrophobicContact CB-CD1 4.17Å; C304-Y650 HydrophobicContact CB-CG 4.31Å
305	Y	96.2	Very high	95.7	Very high	143 Å²	143	43.7 Å²	43.7	56%	0.561	24%	0.24	S	C	*	.	H	α-helix	trans	-58.7	-45	173.4	179.8	-102.9	0	0	0	112	K301 F303 R307 L308 C309 P646	K301-Y305 VanDerWaalsContact O-CB 3.31Å; K301-Y305 WeakPolarHBondContact O-CB 3.41Å; K301-Y305 PolarHBondContact O-N 2.73Å; F303-Y305 VanDerWaalsContact C-N 3.33Å; F303-Y305 PolarHBondContact O-N 3.39Å; Y305-R307 PolarHBondContact O-N 2.96Å; Y305-L308 PolarHBondContact O-N 3.34Å; Y305-C309 VanDerWaalsContact CZ-SG 3.55Å; Y305-C309 WeakPolarHBondContact O-CB 3.3Å; Y305-C309 PolarHBondContact O-N 3.21Å; Y305-C309 PolarHBondContact O-SG 3.13Å; Y305-C309 VanDerWaalsContact O-SG 3.37Å; Y305-P646 HydrophobicContact CD2-CG 4.19Å
306	R	94.6	Very high	95.7	Very high	134 Å²	134	48.4 Å²	48.4	51%	0.506	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-41.4	176.8	-170.7	176.5	-176	138.2	-1.9	112.3	G171 S302 F303 C304 C309 Y310	G171-R306 PolarHBondContact O-NH1 2.8Å; G171-R306 PolarHBondContact O-NH2 2.88Å; S302-R306 WeakPolarHBondContact O-CB 3.41Å; S302-R306 PolarHBondContact O-N 3.2Å; F303-R306 WeakPolarHBondContact O-CB 3.39Å; F303-R306 PolarHBondContact O-N 2.93Å; F303-R306 VanDerWaalsContact O-N 3.08Å; C304-R306 VanDerWaalsContact C-N 3.35Å; C304-R306 PolarHBondContact O-N 3.17Å; R306-C309 PolarHBondContact O-N 2.56Å; R306-Y310 WeakPolarHBondContact O-CB 3.3Å; R306-Y310 PolarHBondContact O-N 3.36Å
307	R	95.1	Very high	95.8	Very high	20 Å²	20	49 Å²	49	8%	0.075	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-42.8	175	-59.7	-43.9	-60.6	178.1	-1.2	112.1	F303 C304 Y305 C309 Y310 L311 Y650 E779	F303-R307 HydrophobicContact CD1-CG 4.33Å; F303-R307 HydrophobicContact CD2-CG 4.43Å; F303-R307 HydrophobicContact CE1-CG 3.89Å; F303-R307 HydrophobicContact CE2-CG 3.99Å; F303-R307 HydrophobicContact CZ-CG 3.71Å; F303-R307 WeakPolarHBondContact O-CG 3.3Å; F303-R307 PolarHBondContact O-N 2.97Å; C304-R307 PolarHBondContact O-N 2.95Å; Y305-R307 PolarHBondContact O-N 2.96Å; R307-C309 PolarHBondContact O-N 2.92Å; R307-Y310 WeakPolarHBondContact O-CB 3.3Å; R307-Y310 PolarHBondContact O-N 3.39Å; R307-Y310 VanDerWaalsContact O-N 3.16Å; R307-L311 WeakPolarHBondContact O-CG 3.29Å; R307-L311 PolarHBondContact O-N 2.93Å; R307-Y650 HydrophobicContact CB-CD2 4.14Å; R307-Y650 HydrophobicContact CB-CE1 4.28Å; R307-Y650 HydrophobicContact CB-CE2 3.62Å; R307-Y650 HydrophobicContact CG-CE1 4.21Å; R307-Y650 HydrophobicContact CG-CE2 4.31Å; R307-E779 IonicContact CZ-OE1 3.75Å; R307-E779 IonicContact CZ-OE2 3.24Å; R307-E779 VanDerWaalsContact CZ-OE2 3.24Å; R307-E779 IonicContact NE-OE1 3.97Å; R307-E779 IonicContact NE-OE2 2.74Å; R307-E779 PolarHBondContact NE-OE2 3.01Å; R307-E779 IonicContact NH2-OE1 2.73Å; R307-E779 PolarHBondContact NH2-OE1 3.18Å; R307-E779 IonicContact NH2-OE2 2.93Å; R307-E779 PolarHBondContact NH2-OE2 3.48Å
308	L	97.5	Very high	95.9	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-38.7	176.6	-70.2	167.8	0	0	0	112.6	C304 Y305 L311 S312 P646 Q649 Y650 R684	C304-L308 WeakPolarHBondContact O-CB 3.3Å; C304-L308 VanDerWaalsContact O-CG 3.25Å; C304-L308 WeakPolarHBondContact O-CG 3.28Å; C304-L308 PolarHBondContact O-N 3.1Å; Y305-L308 PolarHBondContact O-N 3.34Å; L308-L311 HydrophobicContact CD2-CD1 4.46Å; L308-L311 PolarHBondContact O-N 2.87Å; L308-S312 PolarHBondContact O-N 3.07Å; L308-S312 VanDerWaalsContact O-N 3.17Å; L308-S312 PolarHBondContact O-OG 3.2Å; L308-P646 HydrophobicContact CD1-CB 4.01Å; L308-P646 VanDerWaalsContact CD1-O 3.31Å; L308-P646 WeakPolarHBondContact CD1-O 3.41Å; L308-Q649 HydrophobicContact CD1-CB 3.94Å; L308-Q649 HydrophobicContact CD1-CG 4.23Å; L308-Q649 HydrophobicContact CD2-CG 4.17Å; L308-Y650 HydrophobicContact CD2-CD2 4.08Å; L308-Y650 HydrophobicContact CG-CD2 4.23Å; L308-R684 PolarHBondContact O-NE 3.47Å
309	C	96.1	Very high	96	Very high	40 Å²	40	48 Å²	48	27%	0.27	24%	0.238	S	C	.	.	H	α-helix	trans	-64.9	-41.8	171	-72.5	0	0	0	0	112	Y305 R306 R307 S312 S313	Y305-C309 VanDerWaalsContact CZ-SG 3.55Å; Y305-C309 WeakPolarHBondContact O-CB 3.3Å; Y305-C309 PolarHBondContact O-N 3.21Å; Y305-C309 PolarHBondContact O-SG 3.13Å; Y305-C309 VanDerWaalsContact O-SG 3.37Å; R306-C309 PolarHBondContact O-N 2.56Å; R307-C309 PolarHBondContact O-N 2.92Å; C309-S312 PolarHBondContact O-N 2.86Å; C309-S313 PolarHBondContact O-N 3.43Å; C309-S313 PolarHBondContact O-OG 3.21Å
310	Y	94.6	Very high	96.1	Very high	51 Å²	51	52.1 Å²	52.1	20%	0.2	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-46.5	174.2	167.5	-109.2	0	0	0	111.9	I164 R306 R307 S312 S313 K314 E779	I164-Y310 HydrophobicContact CD1-CD2 4.3Å; I164-Y310 HydrophobicContact CD1-CE2 3.57Å; R306-Y310 WeakPolarHBondContact O-CB 3.3Å; R306-Y310 PolarHBondContact O-N 3.36Å; R307-Y310 WeakPolarHBondContact O-CB 3.3Å; R307-Y310 PolarHBondContact O-N 3.39Å; R307-Y310 VanDerWaalsContact O-N 3.16Å; Y310-S312 PolarHBondContact O-N 3.32Å; Y310-S313 PolarHBondContact O-N 3.26Å; Y310-K314 HydrophobicContact CE1-CD 4.13Å; Y310-K314 HydrophobicContact CE2-CB 4.31Å; Y310-K314 HydrophobicContact CE2-CG 4.44Å; Y310-K314 WeakPolarHBondContact O-CB 3.4Å; Y310-K314 PolarHBondContact O-N 3.32Å; Y310-K314 WeakPolarHBondContact OH-CD 3.24Å; Y310-K314 WeakPolarHBondContact OH-CE 3.49Å; Y310-E779 VanDerWaalsContact CE1-OE1 3.23Å; Y310-E779 WeakPolarHBondContact CE1-OE1 3.23Å
311	L	97	Very high	96.2	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-44.8	177.2	-71.9	171.4	0	0	0	112.4	R307 L308 K314 Y315 Y650 Y653 R684 T775 E779	R307-L311 WeakPolarHBondContact O-CG 3.29Å; R307-L311 PolarHBondContact O-N 2.93Å; L308-L311 HydrophobicContact CD2-CD1 4.46Å; L308-L311 PolarHBondContact O-N 2.87Å; L311-K314 PolarHBondContact O-N 2.65Å; L311-Y315 PolarHBondContact O-N 2.84Å; L311-Y650 HydrophobicContact CD1-CD2 4.45Å; L311-Y650 HydrophobicContact CD1-CE2 4.26Å; L311-Y653 HydrophobicContact CD1-CD1 3.84Å; L311-Y653 HydrophobicContact CD1-CD2 4.27Å; L311-Y653 HydrophobicContact CD1-CE1 3.67Å; L311-Y653 HydrophobicContact CD1-CE2 4.1Å; L311-Y653 HydrophobicContact CD1-CG 4.14Å; L311-Y653 HydrophobicContact CD2-CE1 4.37Å; L311-Y653 HydrophobicContact CD2-CE2 4.47Å; L311-R684 HydrophobicContact CB-CB 4.31Å; L311-R684 HydrophobicContact CB-CG 4.15Å; L311-T775 HydrophobicContact CD2-CG2 3.39Å; L311-E779 HydrophobicContact CD2-CG 3.9Å
312	S	97	Very high	96.3	Very high	16 Å²	16	50.1 Å²	50.1	11%	0.112	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-47.6	174.4	-61.2	0	0	0	0	112.1	L308 C309 Y310 Y315 Q316 R684	L308-S312 PolarHBondContact O-N 3.07Å; L308-S312 VanDerWaalsContact O-N 3.17Å; L308-S312 PolarHBondContact O-OG 3.2Å; C309-S312 PolarHBondContact O-N 2.86Å; Y310-S312 PolarHBondContact O-N 3.32Å; S312-Y315 PolarHBondContact O-N 3.03Å; S312-Q316 WeakPolarHBondContact O-CG 3.25Å; S312-Q316 PolarHBondContact O-N 3.13Å; S312-R684 WeakPolarHBondContact OG-CG 3.42Å; S312-R684 PolarHBondContact OG-NE 3.17Å; S312-R684 PolarHBondContact OG-NH2 2.93Å
313	S	96	Very high	96.3	Very high	70 Å²	70	50.4 Å²	50.4	49%	0.49	24%	0.243	S	C	.	.	H	α-helix	trans	-69.1	-38.3	-179.6	-61.5	0	0	0	0	113	C309 Y310 Y315 Q316 M317	C309-S313 PolarHBondContact O-N 3.43Å; C309-S313 PolarHBondContact O-OG 3.21Å; Y310-S313 PolarHBondContact O-N 3.26Å; S313-Y315 VanDerWaalsContact C-N 3.29Å; S313-Y315 PolarHBondContact O-N 2.96Å; S313-Q316 PolarHBondContact O-N 2.79Å; S313-M317 PolarHBondContact O-N 3.11Å
314	K	96	Very high	96.3	Very high	18 Å²	18	52.3 Å²	52.3	8%	0.078	25%	0.254	C	S	.	.	H	α-helix	trans	-60.8	-41.3	174.8	-159.6	-166.8	-168	-173.5	0	110.1	Y310 L311 M317 H318 Y771 T775 D778	Y310-K314 HydrophobicContact CE1-CD 4.13Å; Y310-K314 HydrophobicContact CE2-CB 4.31Å; Y310-K314 HydrophobicContact CE2-CG 4.44Å; Y310-K314 WeakPolarHBondContact O-CB 3.4Å; Y310-K314 PolarHBondContact O-N 3.32Å; Y310-K314 WeakPolarHBondContact OH-CD 3.24Å; Y310-K314 WeakPolarHBondContact OH-CE 3.49Å; L311-K314 PolarHBondContact O-N 2.65Å; K314-M317 PolarHBondContact O-N 3.18Å; K314-H318 WeakPolarHBondContact O-CB 3.37Å; K314-H318 PolarHBondContact O-N 3.3Å; K314-Y771 VanDerWaalsContact C-OH 3.28Å; K314-Y771 HydrophobicContact CD-CE2 4.13Å; K314-Y771 HydrophobicContact CG-CE2 4.11Å; K314-T775 HydrophobicContact CD-CG2 3.76Å; K314-T775 PolarHBondContact NZ-OG1 3.39Å; K314-D778 IonicContact NZ-OD2 3.7Å; K314-D778 PolarHBondContact NZ-OD2 3.1Å
315	Y	97.5	Very high	96.3	Very high	21 Å²	21	54.9 Å²	54.9	8%	0.082	26%	0.263	C	S	.	.	H	α-helix	trans	-67.6	-44.3	177.2	-177.1	-108.7	0	0	0	112.9	L311 S312 S313 M317 H318 V319 A683 D722 R768 Y771	L311-Y315 PolarHBondContact O-N 2.84Å; S312-Y315 PolarHBondContact O-N 3.03Å; S313-Y315 VanDerWaalsContact C-N 3.29Å; S313-Y315 PolarHBondContact O-N 2.96Å; Y315-M317 VanDerWaalsContact C-N 3.29Å; Y315-M317 PolarHBondContact O-N 2.54Å; Y315-H318 WeakPolarHBondContact O-CB 3.48Å; Y315-H318 PolarHBondContact O-N 3.42Å; Y315-H318 VanDerWaalsContact O-N 3.16Å; Y315-V319 HydrophobicContact CD1-CG2 4.2Å; Y315-V319 HydrophobicContact CD2-CG2 4.43Å; Y315-V319 HydrophobicContact CE1-CG2 3.73Å; Y315-V319 HydrophobicContact CE2-CG2 3.98Å; Y315-V319 WeakPolarHBondContact O-CG2 3.47Å; Y315-V319 PolarHBondContact O-N 2.87Å; Y315-A683 VanDerWaalsContact CB-O 3.25Å; Y315-A683 WeakPolarHBondContact CB-O 3.46Å; Y315-A683 HydrophobicContact CD1-CB 3.6Å; Y315-A683 HydrophobicContact CE1-CB 4.17Å; Y315-A683 HydrophobicContact CG-CB 4.32Å; Y315-D722 PolarHBondContact OH-OD1 3.1Å; Y315-R768 VanDerWaalsContact OH-CZ 3.3Å; Y315-R768 PolarHBondContact OH-NH1 3.08Å; Y315-R768 VanDerWaalsContact OH-NH1 3.09Å; Y315-R768 PolarHBondContact OH-NH2 2.89Å; Y315-Y771 VanDerWaalsContact CA-OH 3.28Å; Y315-Y771 WeakPolarHBondContact CA-OH 3.4Å; Y315-Y771 HydrophobicContact CD2-CD1 4.4Å; Y315-Y771 AromaticContact CD2-CE1 3.72Å; Y315-Y771 HydrophobicContact CD2-CE1 3.72Å; Y315-Y771 PolarHBondContact N-OH 3.02Å
316	Q	96.7	Very high	96.4	Very high	124 Å²	124	48.2 Å²	48.2	58%	0.579	24%	0.237	S	C	*	.	H	α-helix	trans	-57.6	-43.5	175.1	-72.6	174.5	-1	0	0	111.7	S312 S313 V319 L320	S312-Q316 WeakPolarHBondContact O-CG 3.25Å; S312-Q316 PolarHBondContact O-N 3.13Å; S313-Q316 PolarHBondContact O-N 2.79Å; Q316-V319 PolarHBondContact O-N 3.38Å; Q316-L320 VanDerWaalsContact O-CG 3.32Å; Q316-L320 WeakPolarHBondContact O-CG 3.32Å; Q316-L320 PolarHBondContact O-N 3.18Å; Q316-L320 VanDerWaalsContact O-N 3.07Å
317	M	96.8	Very high	96.4	Very high	88 Å²	88	44.6 Å²	44.6	43%	0.433	23%	0.228	S	C	.	.	H	α-helix	trans	-66.6	-39.6	175.9	-166.2	63.1	68.4	0	0	112.3	V162 S313 K314 Y315 L320 L321	V162-M317 HydrophobicContact CG2-CG 3.77Å; S313-M317 PolarHBondContact O-N 3.11Å; K314-M317 PolarHBondContact O-N 3.18Å; Y315-M317 VanDerWaalsContact C-N 3.29Å; Y315-M317 PolarHBondContact O-N 2.54Å; M317-L320 PolarHBondContact O-N 2.98Å; M317-L321 HydrophobicContact CG-CD1 3.93Å; M317-L321 HydrophobicContact CG-CG 4.48Å; M317-L321 WeakPolarHBondContact O-CB 3.13Å; M317-L321 VanDerWaalsContact O-CG 3.28Å; M317-L321 WeakPolarHBondContact O-CG 3.26Å; M317-L321 PolarHBondContact O-N 3.35Å; M317-L321 VanDerWaalsContact O-N 3.09Å; M317-L321 HydrophobicContact SD-CD1 4.36Å
318	H	97.4	Very high	96.4	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-58.4	-48.5	173.7	172.4	76.6	0	0	0	111.8	K314 Y315 L320 L321 N322 E326 Y771	K314-H318 WeakPolarHBondContact O-CB 3.37Å; K314-H318 PolarHBondContact O-N 3.3Å; Y315-H318 WeakPolarHBondContact O-CB 3.48Å; Y315-H318 PolarHBondContact O-N 3.42Å; Y315-H318 VanDerWaalsContact O-N 3.16Å; H318-L320 PolarHBondContact O-N 3.19Å; H318-L321 PolarHBondContact O-N 3.13Å; H318-N322 PolarHBondContact CE1-ND2 3.2Å; H318-N322 PolarHBondContact ND1-ND2 3.17Å; H318-N322 VanDerWaalsContact O-CB 3.27Å; H318-N322 WeakPolarHBondContact O-CB 3.36Å; H318-N322 PolarHBondContact O-N 3.22Å; H318-N322 PolarHBondContact O-ND2 3.19Å; H318-E326 IonicContact CD2-OE1 3.25Å; H318-E326 IonicContact CE1-OE1 3.34Å; H318-E326 IonicContact NE2-OE1 3.81Å; H318-E326 PolarHBondContact NE2-OE1 3.16Å; H318-Y771 HydrophobicContact CB-CD2 3.76Å; H318-Y771 HydrophobicContact CB-CE2 3.62Å; H318-Y771 HydrophobicContact CB-CG 4.3Å; H318-Y771 AromaticContact CD2-CG 3.93Å; H318-Y771 AromaticContact CE1-CG 3.73Å; H318-Y771 AromaticContact CG-CD2 3.52Å; H318-Y771 AromaticContact CG-CE2 3.91Å; H318-Y771 AromaticContact CG-CG 3.66Å; H318-Y771 AromaticContact ND1-CD2 3.42Å; H318-Y771 WeakPolarHBondContact ND1-CD2 3.23Å; H318-Y771 AromaticContact ND1-CG 3.58Å; H318-Y771 AromaticContact NE2-CG 3.97Å
319	V	97	Very high	96.2	Very high	39 Å²	39	44.3 Å²	44.3	24%	0.236	23%	0.23	C	C	.	.	H	α-helix	trans	-58.4	-50.3	177.3	172.8	0	0	0	0	110.4	Y315 Q316 L321 N322 E323	Y315-V319 HydrophobicContact CD1-CG2 4.2Å; Y315-V319 HydrophobicContact CD2-CG2 4.43Å; Y315-V319 HydrophobicContact CE1-CG2 3.73Å; Y315-V319 HydrophobicContact CE2-CG2 3.98Å; Y315-V319 WeakPolarHBondContact O-CG2 3.47Å; Y315-V319 PolarHBondContact O-N 2.87Å; Q316-V319 PolarHBondContact O-N 3.38Å; V319-L321 PolarHBondContact O-N 2.88Å; V319-L321 VanDerWaalsContact O-N 3.16Å; V319-N322 PolarHBondContact O-N 3.37Å; V319-E323 HydrophobicContact CG1-CB 4.19Å; V319-E323 WeakPolarHBondContact O-CB 3.12Å; V319-E323 PolarHBondContact O-N 2.78Å
320	L	96.7	Very high	96.2	Very high	143 Å²	143	43 Å²	43	75%	0.749	22%	0.22	S	C	*	.	H	α-helix	trans	-56.5	-32.9	178.6	-72.6	171	0	0	0	113.7	Q316 M317 H318	Q316-L320 VanDerWaalsContact O-CG 3.32Å; Q316-L320 WeakPolarHBondContact O-CG 3.32Å; Q316-L320 PolarHBondContact O-N 3.18Å; Q316-L320 VanDerWaalsContact O-N 3.07Å; M317-L320 PolarHBondContact O-N 2.98Å; H318-L320 PolarHBondContact O-N 3.19Å
321	L	97	Very high	96.1	Very high	58 Å²	58	46 Å²	46	30%	0.304	23%	0.234	S	C	.	.	H	α-helix	trans	-93.6	-24.8	-177.3	-65.4	173.7	0	0	0	114.2	Q160 V162 M317 H318 V319	Q160-L321 HydrophobicContact CB-CB 3.97Å; Q160-L321 HydrophobicContact CB-CD1 4.37Å; Q160-L321 PolarHBondContact NE2-O 3.43Å; V162-L321 HydrophobicContact CG2-CD1 3.54Å; M317-L321 HydrophobicContact CG-CD1 3.93Å; M317-L321 HydrophobicContact CG-CG 4.48Å; M317-L321 WeakPolarHBondContact O-CB 3.13Å; M317-L321 VanDerWaalsContact O-CG 3.28Å; M317-L321 WeakPolarHBondContact O-CG 3.26Å; M317-L321 PolarHBondContact O-N 3.35Å; M317-L321 VanDerWaalsContact O-N 3.09Å; M317-L321 HydrophobicContact SD-CD1 4.36Å; H318-L321 PolarHBondContact O-N 3.13Å; V319-L321 PolarHBondContact O-N 2.88Å; V319-L321 VanDerWaalsContact O-N 3.16Å
322	N	97.3	Very high	96	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-128.5	-12.9	-165.3	-61.9	-56.6	0	0	0	116	Q160 H318 V319 L324 R325 E326 I767	Q160-N322 WeakPolarHBondContact CB-OD1 3.27Å; Q160-N322 PolarHBondContact N-OD1 2.68Å; Q160-N322 PolarHBondContact O-ND2 3.24Å; H318-N322 PolarHBondContact CE1-ND2 3.2Å; H318-N322 PolarHBondContact ND1-ND2 3.17Å; H318-N322 VanDerWaalsContact O-CB 3.27Å; H318-N322 WeakPolarHBondContact O-CB 3.36Å; H318-N322 PolarHBondContact O-N 3.22Å; H318-N322 PolarHBondContact O-ND2 3.19Å; V319-N322 PolarHBondContact O-N 3.37Å; N322-L324 VanDerWaalsContact C-N 3.26Å; N322-L324 PolarHBondContact O-N 3.44Å; N322-L324 VanDerWaalsContact O-N 3.14Å; N322-R325 WeakPolarHBondContact O-CA 3.17Å; N322-R325 WeakPolarHBondContact O-CB 3.35Å; N322-R325 PolarHBondContact O-N 3.36Å; N322-E326 PolarHBondContact O-N 3.32Å; N322-I767 HydrophobicContact CB-CG2 4.22Å
323	E	95.3	Very high	95.8	Very high	82 Å²	82	48.1 Å²	48.1	38%	0.383	25%	0.251	S	S	.	.	H	α-helix	trans	-49.9	-44.5	-178.3	179.6	-168.1	-140.3	0	0	112.5	V319 R325 E326 L327	V319-E323 HydrophobicContact CG1-CB 4.19Å; V319-E323 WeakPolarHBondContact O-CB 3.12Å; V319-E323 PolarHBondContact O-N 2.78Å; E323-R325 VanDerWaalsContact C-N 3.27Å; E323-R325 PolarHBondContact O-N 3.37Å; E323-E326 PolarHBondContact O-N 2.84Å; E323-L327 WeakPolarHBondContact O-CB 3.34Å; E323-L327 PolarHBondContact O-N 3.36Å
324	L	94.7	Very high	95.4	Very high	45 Å²	45	49.6 Å²	49.6	24%	0.236	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-29.5	178.6	-66.1	-179.6	0	0	0	113.3	L114 N322 A328	L114-L324 HydrophobicContact CD1-CB 4.05Å; N322-L324 VanDerWaalsContact C-N 3.26Å; N322-L324 PolarHBondContact O-N 3.44Å; N322-L324 VanDerWaalsContact O-N 3.14Å; L324-A328 VanDerWaalsContact O-CB 3.28Å; L324-A328 WeakPolarHBondContact O-CB 3.33Å; L324-A328 PolarHBondContact O-N 3.37Å; L324-A328 VanDerWaalsContact O-N 3.11Å
325	R	96.4	Very high	94.8	Very high	55 Å²	55	56.9 Å²	56.9	21%	0.208	29%	0.293	C	S	.	.	H	α-helix	trans	-80.5	-37.6	176.2	-57.3	-174.7	-176.4	-156.8	5.5	111.7	L114 Q118 N158 N322 E323 A328 A329 I767	L114-R325 HydrophobicContact CD2-CG 4.41Å; Q118-R325 PolarHBondContact NE2-O 3.35Å; N158-R325 PolarHBondContact O-NH1 3.43Å; N158-R325 PolarHBondContact OD1-NH1 3.47Å; N322-R325 WeakPolarHBondContact O-CA 3.17Å; N322-R325 WeakPolarHBondContact O-CB 3.35Å; N322-R325 PolarHBondContact O-N 3.36Å; E323-R325 VanDerWaalsContact C-N 3.27Å; E323-R325 PolarHBondContact O-N 3.37Å; R325-A328 PolarHBondContact O-N 3.07Å; R325-A329 WeakPolarHBondContact O-CB 3.38Å; R325-A329 PolarHBondContact O-N 3.31Å; R325-I767 HydrophobicContact CB-CD1 3.59Å
326	E	97	Very high	94.5	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.009	30%	0.301	C	S	.	.	H	α-helix	trans	-59.9	-50.2	171.7	-71.8	-175.2	157.2	0	0	110.2	H318 N322 E323 A328 A329 Q330 P765 I767 R768	H318-E326 IonicContact CD2-OE1 3.25Å; H318-E326 IonicContact CE1-OE1 3.34Å; H318-E326 IonicContact NE2-OE1 3.81Å; H318-E326 PolarHBondContact NE2-OE1 3.16Å; N322-E326 PolarHBondContact O-N 3.32Å; E323-E326 PolarHBondContact O-N 2.84Å; E326-A328 PolarHBondContact O-N 2.96Å; E326-A329 WeakPolarHBondContact O-CB 3.41Å; E326-A329 PolarHBondContact O-N 2.77Å; E326-A329 VanDerWaalsContact O-N 3.15Å; E326-Q330 PolarHBondContact O-N 2.88Å; E326-P765 HydrophobicContact CB-CB 4.36Å; E326-P765 HydrophobicContact CB-CG 4Å; E326-P765 HydrophobicContact CG-CB 4.34Å; E326-P765 HydrophobicContact CG-CG 4.42Å; E326-P765 WeakPolarHBondContact O-CG 3.31Å; E326-I767 HydrophobicContact CG-CB 4.09Å; E326-I767 HydrophobicContact CG-CG2 3.73Å; E326-R768 WeakPolarHBondContact OE1-CA 3.5Å; E326-R768 WeakPolarHBondContact OE1-CB 3.21Å; E326-R768 IonicContact OE1-CZ 2.68Å; E326-R768 IonicContact OE1-NE 3.82Å; E326-R768 PolarHBondContact OE1-NE 3.3Å; E326-R768 IonicContact OE1-NH2 2.98Å; E326-R768 IonicContact OE2-CZ 3.73Å; E326-R768 IonicContact OE2-NE 2.75Å; E326-R768 IonicContact OE2-NH2 3.61Å; E326-R768 PolarHBondContact OE2-NH2 2.69Å
327	L	95.2	Very high	94.3	Very high	58 Å²	58	56.1 Å²	56.1	30%	0.304	29%	0.29	S	S	.	.	H	α-helix	trans	-64.4	-36.3	177.9	-179.5	58.6	0	0	0	113	Q111 E323 K331	Q111-L327 VanDerWaalsContact NE2-CD2 3.34Å; E323-L327 WeakPolarHBondContact O-CB 3.34Å; E323-L327 PolarHBondContact O-N 3.36Å; L327-K331 HydrophobicContact CG-CD 4.43Å; L327-K331 VanDerWaalsContact O-CG 3.32Å; L327-K331 WeakPolarHBondContact O-CG 3.45Å; L327-K331 PolarHBondContact O-N 3.21Å; L327-K331 VanDerWaalsContact O-N 3.1Å
328	A	94.6	Very high	94.2	Very high	2 Å²	2	52.7 Å²	52.7	2%	0.017	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-41.9	172.9	0	0	0	0	0	111.3	N115 Q118 L324 R325 E326 Q330 K331 A332	N115-A328 WeakPolarHBondContact OD1-CB 3.23Å; Q118-A328 PolarHBondContact OE1-O 3.5Å; L324-A328 VanDerWaalsContact O-CB 3.28Å; L324-A328 WeakPolarHBondContact O-CB 3.33Å; L324-A328 PolarHBondContact O-N 3.37Å; L324-A328 VanDerWaalsContact O-N 3.11Å; R325-A328 PolarHBondContact O-N 3.07Å; E326-A328 PolarHBondContact O-N 2.96Å; A328-Q330 PolarHBondContact O-N 3.13Å; A328-K331 PolarHBondContact O-N 3.08Å; A328-A332 PolarHBondContact O-N 2.91Å
329	A	94.7	Very high	94	Very high	14 Å²	14	59.7 Å²	59.7	12%	0.116	30%	0.3	C	S	.	.	H	α-helix	trans	-65	-40.4	178.5	0	0	0	0	0	112.3	R325 E326 A332 I759 P765	R325-A329 WeakPolarHBondContact O-CB 3.38Å; R325-A329 PolarHBondContact O-N 3.31Å; E326-A329 WeakPolarHBondContact O-CB 3.41Å; E326-A329 PolarHBondContact O-N 2.77Å; E326-A329 VanDerWaalsContact O-N 3.15Å; A329-A332 PolarHBondContact O-N 3.39Å; A329-I759 HydrophobicContact CB-CD1 4.4Å; A329-P765 HydrophobicContact CB-CB 4.1Å; A329-P765 HydrophobicContact CB-CG 4.36Å
330	Q	95.3	Very high	93.8	Very high	13 Å²	13	60.4 Å²	60.4	6%	0.061	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-46.4	171.8	-64.3	-171.5	-61.6	0	0	111.3	E326 A328 A332 V333 S720 N763 P765	E326-Q330 PolarHBondContact O-N 2.88Å; A328-Q330 PolarHBondContact O-N 3.13Å; Q330-A332 PolarHBondContact O-N 2.94Å; Q330-V333 PolarHBondContact O-N 2.79Å; Q330-S720 PolarHBondContact NE2-O 2.74Å; Q330-N763 PolarHBondContact NE2-ND2 3.29Å; Q330-N763 PolarHBondContact NE2-O 3.37Å; Q330-P765 HydrophobicContact CG-CG 3.67Å
331	K	93.4	Very high	93.8	Very high	114 Å²	114	53.7 Å²	53.7	50%	0.496	27%	0.267	S	S	.	.	H	α-helix	trans	-63.4	-22.7	178	-73.7	174.2	179.9	-179.5	0	113.9	Q111 L327 A328 V333	Q111-K331 VanDerWaalsContact NE2-NZ 3.16Å; L327-K331 HydrophobicContact CG-CD 4.43Å; L327-K331 VanDerWaalsContact O-CG 3.32Å; L327-K331 WeakPolarHBondContact O-CG 3.45Å; L327-K331 PolarHBondContact O-N 3.21Å; L327-K331 VanDerWaalsContact O-N 3.1Å; A328-K331 PolarHBondContact O-N 3.08Å; K331-V333 VanDerWaalsContact C-N 3.29Å
332	A	93.1	Very high	93.8	Very high	50 Å²	50	53 Å²	53	41%	0.413	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-13.7	175.2	0	0	0	0	0	113.4	A328 A329 Q330 P334	A328-A332 PolarHBondContact O-N 2.91Å; A329-A332 PolarHBondContact O-N 3.39Å; Q330-A332 PolarHBondContact O-N 2.94Å; A332-P334 WeakPolarHBondContact O-CD 3.4Å
333	V	93	Very high	93.8	Very high	12 Å²	12	53.1 Å²	53.1	7%	0.073	26%	0.261	C	S	.	.	S	Bend	trans	-93.1	110	177.6	179.6	0	0	0	0	110.2	Q330 K331 R336 I759	Q330-V333 PolarHBondContact O-N 2.79Å; K331-V333 VanDerWaalsContact C-N 3.29Å; V333-R336 HydrophobicContact CG1-CB 3.75Å; V333-I759 HydrophobicContact CG2-CB 4.48Å; V333-I759 HydrophobicContact CG2-CD1 3.82Å; V333-I759 HydrophobicContact CG2-CG1 3.92Å; V333-I759 HydrophobicContact CG2-CG2 3.94Å
334	P	88.1	Confident	94	Very high	100 Å²	100	49.2 Å²	49.2	65%	0.649	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	146.6	177	31	-35.1	0	0	0	111.3	A332 R336	A332-P334 WeakPolarHBondContact O-CD 3.4Å; P334-R336 PolarHBondContact O-N 2.91Å
335	H	84.3	Confident	94.2	Very high	171 Å²	171	47.3 Å²	47.3	79%	0.792	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	21.4	175.1	-50.6	-72.3	0	0	0	116.3
336	R	90.2	Very high	94.3	Very high	64 Å²	64	44.7 Å²	44.7	24%	0.242	22%	0.223	C	C	.	.			trans	-131.6	124.9	168.6	-162.6	71.8	60.7	-131.1	-18.2	110.8	V333 P334 N340 T341 T760 R761 N763	V333-R336 HydrophobicContact CG1-CB 3.75Å; P334-R336 PolarHBondContact O-N 2.91Å; R336-N340 WeakPolarHBondContact CD-O 3.32Å; R336-N340 PolarHBondContact NH1-O 3.36Å; R336-T341 HydrophobicContact CG-CG2 3.99Å; R336-T760 VanDerWaalsContact CZ-O 3.31Å; R336-T760 PolarHBondContact NE-O 2.82Å; R336-T760 PolarHBondContact NH2-O 3.18Å; R336-R761 WeakPolarHBondContact CD-O 3.3Å; R336-N763 HydrophobicContact CG-CB 3.73Å
337	D	92.6	Very high	94.3	Very high	66 Å²	66	44.6 Å²	44.6	35%	0.353	22%	0.223	S	C	.	.	S	Bend	trans	-141.7	-172.5	170.7	67.1	11.1	0	0	0	108.7	Y339 N340 T341	D337-Y339 VanDerWaalsContact C-N 3.26Å; D337-Y339 PolarHBondContact O-N 3.09Å; D337-Y339 WeakPolarHBondContact OD1-CA 3.49Å; D337-Y339 WeakPolarHBondContact OD1-CB 3.09Å; D337-Y339 PolarHBondContact OD1-N 3.47Å; D337-N340 CarbonylContact O-C 3.44Å; D337-N340 PolarHBondContact O-N 2.98Å; D337-N340 VanDerWaalsContact O-N 3.17Å; D337-N340 PolarHBondContact OD1-N 3.28Å; D337-T341 WeakPolarHBondContact O-CG2 3.46Å; D337-T341 PolarHBondContact O-N 2.82Å
338	F	94.6	Very high	94.5	Very high	15 Å²	15	42.2 Å²	42.2	7%	0.066	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.3	177.3	172.9	-108.4	0	0	0	115	T341 K343 M706 Y709 M723	F338-T341 PolarHBondContact O-OG1 2.82Å; F338-K343 HydrophobicContact CE2-CD 4.13Å; F338-K343 VanDerWaalsContact CE2-NZ 3.28Å; F338-K343 HydrophobicContact CZ-CD 4.19Å; F338-K343 WeakPolarHBondContact O-CE 3.37Å; F338-K343 PolarHBondContact O-NZ 3.49Å; F338-M706 HydrophobicContact CD1-CE 4.39Å; F338-M706 HydrophobicContact CE1-CE 3.65Å; F338-M706 HydrophobicContact CE1-SD 4.22Å; F338-M706 HydrophobicContact CZ-CE 4.38Å; F338-M706 HydrophobicContact CZ-SD 4.39Å; F338-Y709 AromaticContact CE2-CD1 3.43Å; F338-Y709 HydrophobicContact CE2-CD1 3.43Å; F338-Y709 VanDerWaalsContact CE2-CD1 3.43Å; F338-Y709 AromaticContact CE2-CE1 3.74Å; F338-Y709 HydrophobicContact CE2-CE1 3.74Å; F338-Y709 HydrophobicContact CE2-CG 4.05Å; F338-Y709 AromaticContact CZ-CD1 3.37Å; F338-Y709 HydrophobicContact CZ-CD1 3.37Å; F338-Y709 HydrophobicContact CZ-CD2 4.34Å; F338-Y709 HydrophobicContact CZ-CE1 4.09Å; F338-Y709 AromaticContact CZ-CG 3.52Å; F338-Y709 HydrophobicContact CZ-CG 3.52Å; F338-M723 HydrophobicContact CD1-CE 3.8Å; F338-M723 HydrophobicContact CD2-CB 3.69Å; F338-M723 HydrophobicContact CD2-CE 4.41Å; F338-M723 HydrophobicContact CE1-CE 3.45Å; F338-M723 VanDerWaalsContact CE1-CE 3.45Å; F338-M723 HydrophobicContact CE2-CB 3.96Å; F338-M723 HydrophobicContact CE2-CE 4.11Å; F338-M723 HydrophobicContact CE2-SD 4.44Å; F338-M723 HydrophobicContact CG-CB 4.19Å; F338-M723 HydrophobicContact CG-CE 4.26Å; F338-M723 HydrophobicContact CZ-CE 3.62Å; F338-M723 HydrophobicContact CZ-SD 4.33Å
339	Y	93.1	Very high	94.6	Very high	150 Å²	150	42.7 Å²	42.7	59%	0.588	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-29.6	175.5	-65.1	-82.3	0	0	0	111.5	D337 Y463 M706	D337-Y339 VanDerWaalsContact C-N 3.26Å; D337-Y339 PolarHBondContact O-N 3.09Å; D337-Y339 WeakPolarHBondContact OD1-CA 3.49Å; D337-Y339 WeakPolarHBondContact OD1-CB 3.09Å; D337-Y339 PolarHBondContact OD1-N 3.47Å; Y339-Y463 WeakPolarHBondContact O-CD2 3.22Å; Y339-M706 HydrophobicContact CD1-CE 3.74Å; Y339-M706 HydrophobicContact CE1-CE 3.53Å
340	N	93.9	Very high	94.8	Very high	54 Å²	54	42 Å²	42	29%	0.289	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	6.2	-179.3	-59.8	140.1	0	0	0	114.9	R336 D337 Y463	R336-N340 WeakPolarHBondContact CD-O 3.32Å; R336-N340 PolarHBondContact NH1-O 3.36Å; D337-N340 CarbonylContact O-C 3.44Å; D337-N340 PolarHBondContact O-N 2.98Å; D337-N340 VanDerWaalsContact O-N 3.17Å; D337-N340 PolarHBondContact OD1-N 3.28Å; N340-Y463 HydrophobicContact CB-CE1 4.32Å; N340-Y463 HydrophobicContact CB-CE2 4.47Å; N340-Y463 WeakPolarHBondContact ND2-CE2 3.31Å; N340-Y463 VanDerWaalsContact O-CD1 3.31Å; N340-Y463 WeakPolarHBondContact O-CD1 3.32Å; N340-Y463 WeakPolarHBondContact O-CE1 3.46Å
341	T	95.6	Very high	94.7	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	21%	0.213	C	C	.	.	S	Bend	trans	-86.7	147.9	165.8	49.7	0	0	0	0	111.2	R336 D337 F338 T762 N763	R336-T341 HydrophobicContact CG-CG2 3.99Å; D337-T341 WeakPolarHBondContact O-CG2 3.46Å; D337-T341 PolarHBondContact O-N 2.82Å; F338-T341 PolarHBondContact O-OG1 2.82Å; T341-T762 WeakPolarHBondContact CG2-O 3.4Å; T341-N763 HydrophobicContact CG2-CB 3.56Å
342	R	97.4	Very high	94.8	Very high	45 Å²	45	37.1 Å²	37.1	17%	0.17	19%	0.19	C	C	.	.			trans	-78	136.5	177.6	-71.7	-80.4	170.5	168.1	-13.4	110.2	K462 Y463 N465 V731 W744	R342-K462 PolarHBondContact NH1-O 3.2Å; R342-K462 PolarHBondContact NH2-O 3.47Å; R342-Y463 HydrophobicContact CG-CD1 4.43Å; R342-N465 PolarHBondContact NH1-OD1 2.8Å; R342-V731 HydrophobicContact CB-CG2 3.96Å; R342-V731 WeakPolarHBondContact O-CG2 3.49Å; R342-W744 HydrophobicContact CB-CB 4.02Å; R342-W744 HydrophobicContact CB-CD2 4.16Å; R342-W744 HydrophobicContact CB-CE3 4.27Å; R342-W744 HydrophobicContact CB-CG 4.06Å; R342-W744 HydrophobicContact CG-CB 3.84Å; R342-W744 HydrophobicContact CG-CD2 3.91Å; R342-W744 HydrophobicContact CG-CG 3.58Å
343	K	97.8	Very high	95	Very high	2 Å²	2	35 Å²	35	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	145.4	179.1	30.3	-171.3	156.2	-172.1	0	109.1	F338 Y463 N465 L705 M706 A727 S730	F338-K343 HydrophobicContact CE2-CD 4.13Å; F338-K343 VanDerWaalsContact CE2-NZ 3.28Å; F338-K343 HydrophobicContact CZ-CD 4.19Å; F338-K343 WeakPolarHBondContact O-CE 3.37Å; F338-K343 PolarHBondContact O-NZ 3.49Å; K343-Y463 PolarHBondContact N-O 3.39Å; K343-Y463 VanDerWaalsContact N-O 3.13Å; K343-N465 PolarHBondContact O-N 2.81Å; K343-N465 PolarHBondContact O-ND2 2.84Å; K343-L705 HydrophobicContact CB-CD2 4.43Å; K343-M706 HydrophobicContact CD-SD 4.25Å; K343-M706 PolarHBondContact NZ-SD 2.75Å; K343-A727 HydrophobicContact CB-CB 4.01Å; K343-S730 WeakPolarHBondContact CA-OG 3.45Å
344	V	98.6	Very high	95.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.8	-177.7	-173.2	0	0	0	0	107.5	T346 N465 E467 S730 V731 F736 W744	V344-T346 HydrophobicContact CB-CG2 4.31Å; V344-T346 HydrophobicContact CG1-CG2 4.26Å; V344-T346 PolarHBondContact O-N 2.86Å; V344-T346 VanDerWaalsContact O-N 3.11Å; V344-N465 CarbonylContact C-O 3.42Å; V344-N465 WeakPolarHBondContact CA-O 3.33Å; V344-N465 HydrophobicContact CG2-CB 4.29Å; V344-E467 HydrophobicContact CG1-CG 3.67Å; V344-S730 PolarHBondContact N-OG 3.02Å; V344-S730 VanDerWaalsContact O-CB 3.27Å; V344-S730 WeakPolarHBondContact O-CB 3.41Å; V344-V731 HydrophobicContact CG2-CB 4.45Å; V344-V731 HydrophobicContact CG2-CG2 3.91Å; V344-F736 HydrophobicContact CG1-CD2 4.36Å; V344-F736 HydrophobicContact CG1-CE2 3.87Å; V344-F736 HydrophobicContact CG2-CD2 4.43Å; V344-F736 HydrophobicContact CG2-CE2 4.42Å; V344-W744 HydrophobicContact CG2-CZ3 4.01Å
345	D	98.7	Very high	95.4	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.027	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	99.8	163.3	-163.9	-19.6	0	0	0	108.8	H347 I348 N465 A466 E467 S691 T692 L705	D345-H347 VanDerWaalsContact C-N 3.33Å; D345-H347 PolarHBondContact OD1-N 3.41Å; D345-H347 VanDerWaalsContact OD1-N 3.13Å; D345-I348 HydrophobicContact CB-CG2 4Å; D345-N465 PolarHBondContact N-O 2.88Å; D345-A466 HydrophobicContact CB-CB 4.4Å; D345-E467 PolarHBondContact O-N 3.3Å; D345-S691 VanDerWaalsContact OD1-CA 3.25Å; D345-S691 WeakPolarHBondContact OD1-CA 3.46Å; D345-S691 WeakPolarHBondContact OD1-CB 3.34Å; D345-T692 PolarHBondContact OD1-N 3.26Å; D345-T692 VanDerWaalsContact OD2-CB 3.28Å; D345-T692 WeakPolarHBondContact OD2-CB 3.25Å; D345-T692 WeakPolarHBondContact OD2-CG2 3.32Å; D345-T692 PolarHBondContact OD2-N 2.67Å; D345-T692 PolarHBondContact OD2-OG1 3.42Å; D345-L705 HydrophobicContact CB-CD1 4.07Å; D345-L705 HydrophobicContact CB-CD2 4.15Å
346	T	98.3	Very high	95.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-12.2	-177.5	50	0	0	0	0	113.1	V344 E467 R469 A660 S689 S730 M733	V344-T346 HydrophobicContact CB-CG2 4.31Å; V344-T346 HydrophobicContact CG1-CG2 4.26Å; V344-T346 PolarHBondContact O-N 2.86Å; V344-T346 VanDerWaalsContact O-N 3.11Å; T346-E467 WeakPolarHBondContact CA-OE2 3.49Å; T346-R469 PolarHBondContact O-NH1 3.16Å; T346-R469 PolarHBondContact O-NH2 3Å; T346-A660 WeakPolarHBondContact OG1-CB 3.44Å; T346-S689 PolarHBondContact OG1-OG 3.37Å; T346-S730 WeakPolarHBondContact CG2-O 3.42Å; T346-M733 HydrophobicContact CG2-CB 4.38Å
347	H	98.6	Very high	96	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	100.3	174.7	-171.7	-151.9	0	0	0	112.7	D345 H349 R469 H616 H638 A660 S691 T692 D693	D345-H347 VanDerWaalsContact C-N 3.33Å; D345-H347 PolarHBondContact OD1-N 3.41Å; D345-H347 VanDerWaalsContact OD1-N 3.13Å; H347-H349 AromaticContact NE2-CE1 3.78Å; H347-H349 AromaticContact NE2-NE2 3.73Å; H347-R469 PolarHBondContact CD2-NE 2.84Å; H347-R469 PolarHBondContact CD2-NH2 3.13Å; H347-H616 AromaticContact CD2-CE1 3.99Å; H347-H616 AromaticContact CE1-CD2 3.96Å; H347-H616 AromaticContact CE1-CE1 3.44Å; H347-H616 PolarHBondContact CE1-CE1 2.75Å; H347-H616 VanDerWaalsContact CE1-CE1 3.44Å; H347-H616 AromaticContact CE1-NE2 3.24Å; H347-H616 PolarHBondContact CE1-NE2 3.4Å; H347-H616 AromaticContact NE2-CE1 2.98Å; H347-H616 PolarHBondContact NE2-CE1 3.3Å; H347-H616 AromaticContact NE2-ND1 3.99Å; H347-H616 AromaticContact NE2-NE2 3.15Å; H347-H616 PolarHBondContact NE2-NE2 3.2Å; H347-H616 VanDerWaalsContact NE2-NE2 3.15Å; H347-H638 AromaticContact CE1-CE1 3.63Å; H347-H638 AromaticContact CE1-NE2 3.22Å; H347-H638 PolarHBondContact CE1-NE2 3.05Å; H347-H638 AromaticContact ND1-CE1 3.87Å; H347-H638 AromaticContact ND1-NE2 3.62Å; H347-A660 HydrophobicContact CB-CB 3.87Å; H347-S691 WeakPolarHBondContact CB-OG 3.42Å; H347-S691 WeakPolarHBondContact O-CB 3.4Å; H347-T692 PolarHBondContact O-N 3.07Å; H347-D693 IonicContact CE1-OD1 2.69Å; H347-D693 PolarHBondContact CE1-OD1 3.5Å; H347-D693 IonicContact ND1-OD1 3.79Å; H347-D693 IonicContact NE2-OD1 2.99Å; H347-D693 PolarHBondContact NE2-OD1 3.01Å; H347-D693 WeakPolarHBondContact O-CA 3.3Å; H347-D693 PolarHBondContact O-N 2.84Å
348	I	98.1	Very high	96.1	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.036	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	132	-179.7	176.3	170	0	0	0	110.9	D345 C353 A466 L468 R469 D693 P695	D345-I348 HydrophobicContact CB-CG2 4Å; I348-C353 HydrophobicContact CD1-CB 3.68Å; I348-C353 HydrophobicContact CG1-CB 3.95Å; I348-A466 HydrophobicContact CG2-CB 4.27Å; I348-L468 HydrophobicContact CB-CD2 4.38Å; I348-L468 HydrophobicContact CD1-CD2 3.76Å; I348-L468 HydrophobicContact CG1-CD2 3.77Å; I348-L468 HydrophobicContact CG2-CD2 3.83Å; I348-R469 PolarHBondContact O-N 3.05Å; I348-D693 WeakPolarHBondContact CA-O 3.42Å; I348-P695 HydrophobicContact CD1-CG 3.89Å; I348-P695 HydrophobicContact CG1-CG 4.31Å
349	H	97.9	Very high	96.1	Very high	12 Å²	12	24.2 Å²	24.2	6%	0.056	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.6	176.8	-64.7	-64.7	0	0	0	111.4	H347 A351 S352 C353 Q502 H616 D693 D694	H347-H349 AromaticContact NE2-CE1 3.78Å; H347-H349 AromaticContact NE2-NE2 3.73Å; H349-A351 VanDerWaalsContact C-N 3.32Å; H349-A351 PolarHBondContact O-N 3.11Å; H349-S352 WeakPolarHBondContact CB-OG 3.13Å; H349-S352 PolarHBondContact O-N 2.9Å; H349-S352 PolarHBondContact O-OG 3.06Å; H349-C353 WeakPolarHBondContact O-CB 3.28Å; H349-C353 PolarHBondContact O-N 2.84Å; H349-C353 VanDerWaalsContact O-N 3.11Å; H349-Q502 PolarHBondContact CE1-OE1 3.13Å; H349-Q502 VanDerWaalsContact CE1-OE1 3.24Å; H349-Q502 PolarHBondContact ND1-OE1 2.99Å; H349-H616 AromaticContact CE1-CE1 3.62Å; H349-H616 AromaticContact CE1-NE2 3.42Å; H349-H616 PolarHBondContact CE1-NE2 3.02Å; H349-H616 AromaticContact NE2-NE2 3.52Å; H349-D693 IonicContact CD2-OD1 2.68Å; H349-D693 PolarHBondContact CD2-OD1 3.42Å; H349-D693 PolarHBondContact N-O 3.13Å; H349-D693 IonicContact NE2-OD1 2.82Å; H349-D693 PolarHBondContact NE2-OD1 3.24Å; H349-D694 IonicContact CD2-OD1 2.78Å; H349-D694 IonicContact CD2-OD2 3.83Å
350	A	97.5	Very high	96.2	Very high	1 Å²	1	18 Å²	18	1%	0.008	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-64.8	-34.3	-174.6	0	0	0	0	0	113.1	S352 C353 F447 I451 L468 R469 L470 W499	A350-S352 PolarHBondContact O-N 3.38Å; A350-C353 PolarHBondContact O-SG 3.14Å; A350-F447 HydrophobicContact CB-CZ 4Å; A350-F447 WeakPolarHBondContact O-CE2 3.49Å; A350-F447 WeakPolarHBondContact O-CZ 3.28Å; A350-I451 HydrophobicContact CB-CD1 4.34Å; A350-L468 HydrophobicContact CB-CB 4.17Å; A350-R469 WeakPolarHBondContact CB-O 3.4Å; A350-R469 PolarHBondContact N-O 3.36Å; A350-L470 HydrophobicContact CB-CD2 3.75Å; A350-L470 HydrophobicContact CB-CG 4.24Å; A350-W499 HydrophobicContact CB-CZ3 4.29Å
351	A	94.5	Very high	96.2	Very high	24 Å²	24	21.1 Å²	21.1	20%	0.198	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-68.5	-13.6	-178.4	0	0	0	0	0	114	H349 Y423	H349-A351 VanDerWaalsContact C-N 3.32Å; H349-A351 PolarHBondContact O-N 3.11Å; A351-Y423 HydrophobicContact CB-CD1 4.39Å; A351-Y423 HydrophobicContact CB-CE1 4.25Å
352	S	95	Very high	96.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-132.5	13.3	-174.5	48.7	0	0	0	0	112.7	H349 A350 M354 D694 P695 L696	H349-S352 WeakPolarHBondContact CB-OG 3.13Å; H349-S352 PolarHBondContact O-N 2.9Å; H349-S352 PolarHBondContact O-OG 3.06Å; A350-S352 PolarHBondContact O-N 3.38Å; S352-M354 PolarHBondContact O-N 2.9Å; S352-D694 WeakPolarHBondContact CB-OD1 3.22Å; S352-D694 PolarHBondContact OG-OD1 2.98Å; S352-P695 WeakPolarHBondContact O-CB 3.47Å; S352-P695 VanDerWaalsContact O-CD 3.24Å; S352-P695 WeakPolarHBondContact O-CD 3.32Å; S352-L696 WeakPolarHBondContact O-CB 3.45Å; S352-L696 PolarHBondContact O-N 2.72Å
353	C	96.4	Very high	96.1	Very high	6 Å²	6	19 Å²	19	4%	0.041	9%	0.088	C	C	.	.			trans	-68.5	2.8	-173.8	66.5	0	0	0	0	115.9	I348 H349 A350 I451 L468	I348-C353 HydrophobicContact CD1-CB 3.68Å; I348-C353 HydrophobicContact CG1-CB 3.95Å; H349-C353 WeakPolarHBondContact O-CB 3.28Å; H349-C353 PolarHBondContact O-N 2.84Å; H349-C353 VanDerWaalsContact O-N 3.11Å; A350-C353 PolarHBondContact O-SG 3.14Å; C353-I451 VanDerWaalsContact SG-CD1 3.59Å; C353-L468 HydrophobicContact CB-CD2 3.59Å
354	M	95.5	Very high	95.8	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.025	10%	0.101	C	C	.	.	S	Bend	trans	-129.9	147.5	177	68.9	-69.4	179.2	0	0	110.9	S352 H358 L359 L436 I450 V454 L696	S352-M354 PolarHBondContact O-N 2.9Å; M354-H358 HydrophobicContact CB-CB 4.02Å; M354-H358 HydrophobicContact CG-CB 4.21Å; M354-L359 HydrophobicContact CE-CB 4.06Å; M354-L359 HydrophobicContact CE-CD1 3.83Å; M354-L359 HydrophobicContact CE-CD2 4.28Å; M354-L359 HydrophobicContact CE-CG 4.26Å; M354-L436 HydrophobicContact CE-CD2 3.5Å; M354-L436 VanDerWaalsContact CE-CD2 3.5Å; M354-I450 HydrophobicContact CE-CD1 4.24Å; M354-I450 HydrophobicContact CE-CG2 3.67Å; M354-I450 HydrophobicContact CG-CG2 4.04Å; M354-I450 HydrophobicContact SD-CG2 3.52Å; M354-I450 VanDerWaalsContact SD-CG2 3.52Å; M354-V454 HydrophobicContact CB-CG2 3.82Å; M354-L696 WeakPolarHBondContact O-CA 3.41Å; M354-L696 VanDerWaalsContact O-CB 3.3Å; M354-L696 WeakPolarHBondContact O-CB 3.47Å; M354-L696 WeakPolarHBondContact O-CD1 3.22Å; M354-L696 PolarHBondContact O-N 3.08Å
355	N	94.2	Very high	95.7	Very high	13 Å²	13	27.1 Å²	27.1	7%	0.07	12%	0.123	C	C	.	.			trans	-67	162	177.5	69	54.1	0	0	0	113.1	K357 H358 L359 T701	N355-K357 VanDerWaalsContact C-N 3.26Å; N355-K357 PolarHBondContact O-N 3.31Å; N355-K357 WeakPolarHBondContact OD1-CA 3.37Å; N355-K357 WeakPolarHBondContact OD1-CB 3.4Å; N355-K357 PolarHBondContact OD1-N 2.93Å; N355-H358 WeakPolarHBondContact O-CB 3.46Å; N355-H358 PolarHBondContact O-N 2.72Å; N355-H358 PolarHBondContact OD1-N 3.15Å; N355-L359 PolarHBondContact O-N 3.48Å; N355-L359 VanDerWaalsContact O-N 3.13Å; N355-T701 PolarHBondContact ND2-O 3.25Å
356	Q	92.9	Very high	95.5	Very high	21 Å²	21	27.1 Å²	27.1	10%	0.098	12%	0.123	C	C	.	.	H	α-helix	trans	-52.9	-34.6	177.2	56.3	-175.5	-8.9	0	0	115.1	L360 V401 V406 H407 L696	Q356-L360 WeakPolarHBondContact O-CB 3.48Å; Q356-L360 PolarHBondContact O-N 3.46Å; Q356-V401 HydrophobicContact CB-CG1 4.1Å; Q356-V401 HydrophobicContact CG-CG1 3.67Å; Q356-V406 HydrophobicContact CB-CG2 3.73Å; Q356-H407 PolarHBondContact NE2-CD2 2.96Å; Q356-L696 HydrophobicContact CB-CD1 4.41Å
357	K	94.2	Very high	95.2	Very high	152 Å²	152	27.9 Å²	27.9	66%	0.661	13%	0.127	S	C	*	.	H	α-helix	trans	-72.5	-34	179.3	-176.5	179.2	-179.2	177.8	0	111.9	N355 R361	N355-K357 VanDerWaalsContact C-N 3.26Å; N355-K357 PolarHBondContact O-N 3.31Å; N355-K357 WeakPolarHBondContact OD1-CA 3.37Å; N355-K357 WeakPolarHBondContact OD1-CB 3.4Å; N355-K357 PolarHBondContact OD1-N 2.93Å; K357-R361 VanDerWaalsContact O-CB 3.28Å; K357-R361 WeakPolarHBondContact O-CB 3.24Å; K357-R361 PolarHBondContact O-N 2.68Å
358	H	95.6	Very high	94.9	Very high	9 Å²	9	36 Å²	36	4%	0.042	16%	0.162	C	C	.	.	H	α-helix	trans	-66	-52.9	172.4	-168.6	153.8	0	0	0	109.9	M354 N355 L360 R361 F362 E453	M354-H358 HydrophobicContact CB-CB 4.02Å; M354-H358 HydrophobicContact CG-CB 4.21Å; N355-H358 WeakPolarHBondContact O-CB 3.46Å; N355-H358 PolarHBondContact O-N 2.72Å; N355-H358 PolarHBondContact OD1-N 3.15Å; H358-L360 VanDerWaalsContact C-N 3.32Å; H358-L360 PolarHBondContact O-N 2.73Å; H358-R361 PolarHBondContact CD2-NH2 3.13Å; H358-R361 PolarHBondContact NE2-NH2 2.87Å; H358-R361 VanDerWaalsContact NE2-NH2 3.16Å; H358-R361 WeakPolarHBondContact O-CB 3.38Å; H358-R361 PolarHBondContact O-N 3.34Å; H358-R361 VanDerWaalsContact O-N 3.14Å; H358-F362 WeakPolarHBondContact O-CB 3.37Å; H358-F362 PolarHBondContact O-N 3.02Å; H358-E453 IonicContact CD2-OE2 3.37Å; H358-E453 IonicContact CE1-OE2 3.53Å; H358-E453 WeakPolarHBondContact NE2-CB 3.4Å; H358-E453 IonicContact NE2-OE2 2.9Å; H358-E453 PolarHBondContact NE2-OE2 3.44Å
359	L	95.1	Very high	94.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.8	-45.8	178.3	179.4	57.7	0	0	0	111.5	M354 N355 R361 F362 I363 P425 L436 I450 L696	M354-L359 HydrophobicContact CE-CB 4.06Å; M354-L359 HydrophobicContact CE-CD1 3.83Å; M354-L359 HydrophobicContact CE-CD2 4.28Å; M354-L359 HydrophobicContact CE-CG 4.26Å; N355-L359 PolarHBondContact O-N 3.48Å; N355-L359 VanDerWaalsContact O-N 3.13Å; L359-R361 PolarHBondContact O-N 2.65Å; L359-F362 PolarHBondContact O-N 3.13Å; L359-I363 HydrophobicContact CD1-CD1 3.79Å; L359-I363 HydrophobicContact CD1-CG1 3.98Å; L359-I363 HydrophobicContact CD2-CD1 4.5Å; L359-I363 HydrophobicContact CG-CD1 3.82Å; L359-I363 HydrophobicContact CG-CG1 4.41Å; L359-I363 WeakPolarHBondContact O-CG1 3.35Å; L359-I363 PolarHBondContact O-N 2.99Å; L359-P425 HydrophobicContact CD2-CG 4.27Å; L359-L436 HydrophobicContact CD1-CD2 4.15Å; L359-L436 HydrophobicContact CD2-CD1 4.44Å; L359-I450 HydrophobicContact CD1-CD1 4.12Å; L359-L696 HydrophobicContact CB-CD1 4.06Å; L359-L696 HydrophobicContact CD2-CD1 3.77Å; L359-L696 HydrophobicContact CD2-CD2 4.1Å
360	L	93.9	Very high	94.6	Very high	19 Å²	19	42.8 Å²	42.8	10%	0.099	20%	0.199	C	C	.	.	H	α-helix	trans	-58.5	-47	175.8	-175.2	62.3	0	0	0	112.6	Q356 H358 F362 I363 K364 L399 V401 L404	Q356-L360 WeakPolarHBondContact O-CB 3.48Å; Q356-L360 PolarHBondContact O-N 3.46Å; H358-L360 VanDerWaalsContact C-N 3.32Å; H358-L360 PolarHBondContact O-N 2.73Å; L360-F362 VanDerWaalsContact C-N 3.3Å; L360-F362 PolarHBondContact O-N 2.84Å; L360-I363 PolarHBondContact O-N 3.21Å; L360-K364 HydrophobicContact CD1-CG 4.5Å; L360-K364 WeakPolarHBondContact O-CB 3.03Å; L360-K364 WeakPolarHBondContact O-CG 3.46Å; L360-K364 PolarHBondContact O-N 3.3Å; L360-L399 HydrophobicContact CD1-CB 3.91Å; L360-V401 HydrophobicContact CD2-CG2 3.66Å; L360-L404 HydrophobicContact CB-CD1 3.73Å; L360-L404 HydrophobicContact CD1-CD1 4.06Å; L360-L404 HydrophobicContact CD1-CD2 4.3Å; L360-L404 HydrophobicContact CD1-CG 4.12Å; L360-L404 HydrophobicContact CG-CD1 4.45Å
361	R	94.7	Very high	94.4	Very high	121 Å²	121	44 Å²	44	46%	0.457	21%	0.209	S	C	.	.	H	α-helix	trans	-59.9	-42.6	177.3	-180	-171.8	71.8	-153.6	0.9	110.9	K357 H358 L359 K365 E453	K357-R361 VanDerWaalsContact O-CB 3.28Å; K357-R361 WeakPolarHBondContact O-CB 3.24Å; K357-R361 PolarHBondContact O-N 2.68Å; H358-R361 PolarHBondContact CD2-NH2 3.13Å; H358-R361 PolarHBondContact NE2-NH2 2.87Å; H358-R361 VanDerWaalsContact NE2-NH2 3.16Å; H358-R361 WeakPolarHBondContact O-CB 3.38Å; H358-R361 PolarHBondContact O-N 3.34Å; H358-R361 VanDerWaalsContact O-N 3.14Å; L359-R361 PolarHBondContact O-N 2.65Å; R361-K365 VanDerWaalsContact O-CB 3.23Å; R361-K365 WeakPolarHBondContact O-CB 3.33Å; R361-K365 PolarHBondContact O-N 3.21Å; R361-E453 IonicContact NH2-OE2 3.4Å; R361-E453 PolarHBondContact NH2-OE2 3.03Å
362	F	95.8	Very high	94.4	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-53	178.1	-172.3	-86.6	0	0	0	111.1	H358 L359 L360 K364 K365 T366 F435 Y446 Q449 I450	H358-F362 WeakPolarHBondContact O-CB 3.37Å; H358-F362 PolarHBondContact O-N 3.02Å; L359-F362 PolarHBondContact O-N 3.13Å; L360-F362 VanDerWaalsContact C-N 3.3Å; L360-F362 PolarHBondContact O-N 2.84Å; F362-K364 VanDerWaalsContact C-N 3.33Å; F362-K364 PolarHBondContact O-N 3.48Å; F362-K365 WeakPolarHBondContact O-CB 3.46Å; F362-K365 PolarHBondContact O-N 3.41Å; F362-K365 VanDerWaalsContact O-N 3.14Å; F362-T366 WeakPolarHBondContact CE1-OG1 3.03Å; F362-T366 WeakPolarHBondContact O-CB 3.46Å; F362-T366 PolarHBondContact O-N 3.02Å; F362-T366 PolarHBondContact O-OG1 3.18Å; F362-T366 VanDerWaalsContact O-OG1 3.07Å; F362-F435 HydrophobicContact CD1-CD1 4.04Å; F362-F435 HydrophobicContact CD1-CE1 4.14Å; F362-F435 AromaticContact CE1-CD1 3.89Å; F362-F435 HydrophobicContact CE1-CD1 3.89Å; F362-F435 AromaticContact CE1-CE1 3.98Å; F362-F435 HydrophobicContact CE1-CE1 3.98Å; F362-Y446 HydrophobicContact CE1-CD1 4.37Å; F362-Y446 HydrophobicContact CE1-CG 4.49Å; F362-Y446 HydrophobicContact CZ-CD1 4.37Å; F362-Q449 HydrophobicContact CE2-CB 3.81Å; F362-Q449 HydrophobicContact CZ-CB 3.73Å; F362-I450 HydrophobicContact CB-CG1 4.45Å; F362-I450 HydrophobicContact CD1-CD1 3.74Å; F362-I450 HydrophobicContact CD1-CG1 3.63Å; F362-I450 HydrophobicContact CD2-CG1 3.74Å; F362-I450 HydrophobicContact CE1-CD1 3.93Å; F362-I450 HydrophobicContact CE1-CG1 3.73Å; F362-I450 HydrophobicContact CE2-CG1 3.83Å; F362-I450 HydrophobicContact CG-CD1 4.17Å; F362-I450 HydrophobicContact CG-CG1 3.65Å; F362-I450 HydrophobicContact CZ-CD1 4.5Å; F362-I450 HydrophobicContact CZ-CG1 3.83Å
363	I	94	Very high	94.4	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-55.1	-47	177.8	-68.7	171	0	0	0	110.9	L359 L360 K365 T366 L367 F389 L399 L404 F435	L359-I363 HydrophobicContact CD1-CD1 3.79Å; L359-I363 HydrophobicContact CD1-CG1 3.98Å; L359-I363 HydrophobicContact CD2-CD1 4.5Å; L359-I363 HydrophobicContact CG-CD1 3.82Å; L359-I363 HydrophobicContact CG-CG1 4.41Å; L359-I363 WeakPolarHBondContact O-CG1 3.35Å; L359-I363 PolarHBondContact O-N 2.99Å; L360-I363 PolarHBondContact O-N 3.21Å; I363-K365 PolarHBondContact O-N 3.5Å; I363-T366 PolarHBondContact O-N 3.1Å; I363-L367 VanDerWaalsContact O-CB 3.32Å; I363-L367 WeakPolarHBondContact O-CB 3.29Å; I363-L367 PolarHBondContact O-N 2.84Å; I363-F389 HydrophobicContact CG2-CE1 4.33Å; I363-F389 HydrophobicContact CG2-CE2 4.37Å; I363-F389 HydrophobicContact CG2-CZ 3.6Å; I363-L399 HydrophobicContact CG2-CD1 4.16Å; I363-L404 HydrophobicContact CD1-CD2 4.09Å; I363-F435 HydrophobicContact CB-CZ 4.44Å; I363-F435 HydrophobicContact CD1-CD2 4.39Å; I363-F435 HydrophobicContact CG1-CD1 4.22Å; I363-F435 HydrophobicContact CG1-CD2 4.1Å; I363-F435 HydrophobicContact CG1-CE1 4.12Å; I363-F435 HydrophobicContact CG1-CE2 4.01Å; I363-F435 HydrophobicContact CG1-CG 4.21Å; I363-F435 HydrophobicContact CG1-CZ 4.02Å; I363-F435 HydrophobicContact CG2-CE2 4.39Å; I363-F435 HydrophobicContact CG2-CZ 4.32Å
364	K	93.3	Very high	94.4	Very high	69 Å²	69	53.2 Å²	53.2	30%	0.3	25%	0.254	S	S	.	.	H	α-helix	trans	-62.9	-41.9	177.6	-74.4	-169.3	176.7	-161.2	0	113.2	L360 F362 K368 T396 L399	L360-K364 HydrophobicContact CD1-CG 4.5Å; L360-K364 WeakPolarHBondContact O-CB 3.03Å; L360-K364 WeakPolarHBondContact O-CG 3.46Å; L360-K364 PolarHBondContact O-N 3.3Å; F362-K364 VanDerWaalsContact C-N 3.33Å; F362-K364 PolarHBondContact O-N 3.48Å; K364-K368 WeakPolarHBondContact O-CB 3.22Å; K364-K368 PolarHBondContact O-N 3.36Å; K364-T396 VanDerWaalsContact CE-O 3.24Å; K364-T396 WeakPolarHBondContact CE-O 3.24Å; K364-T396 PolarHBondContact NZ-O 3.33Å; K364-T396 VanDerWaalsContact NZ-O 3.14Å; K364-L399 WeakPolarHBondContact CE-O 3.47Å; K364-L399 HydrophobicContact CG-CD1 4.47Å; K364-L399 PolarHBondContact NZ-O 3.2Å
365	K	94.9	Very high	94.3	Very high	102 Å²	102	53 Å²	53	44%	0.443	25%	0.253	S	S	.	.	H	α-helix	trans	-63.3	-45.2	176.8	174.1	-177	166.5	-170.9	0	110.9	R361 F362 I363 K368 N369 E453	R361-K365 VanDerWaalsContact O-CB 3.23Å; R361-K365 WeakPolarHBondContact O-CB 3.33Å; R361-K365 PolarHBondContact O-N 3.21Å; F362-K365 WeakPolarHBondContact O-CB 3.46Å; F362-K365 PolarHBondContact O-N 3.41Å; F362-K365 VanDerWaalsContact O-N 3.14Å; I363-K365 PolarHBondContact O-N 3.5Å; K365-K368 PolarHBondContact O-N 3.04Å; K365-N369 WeakPolarHBondContact O-CB 3.39Å; K365-N369 VanDerWaalsContact O-CG 3.28Å; K365-N369 PolarHBondContact O-N 3.27Å; K365-N369 VanDerWaalsContact O-N 3.08Å; K365-E453 IonicContact NZ-OE1 2.68Å; K365-E453 PolarHBondContact NZ-OE1 3.1Å
366	T	95.1	Very high	94.1	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-68.9	-44	179.4	-58	0	0	0	0	111.8	F362 I363 K368 N369 N370 L385 F435 Y446	F362-T366 WeakPolarHBondContact CE1-OG1 3.03Å; F362-T366 WeakPolarHBondContact O-CB 3.46Å; F362-T366 PolarHBondContact O-N 3.02Å; F362-T366 PolarHBondContact O-OG1 3.18Å; F362-T366 VanDerWaalsContact O-OG1 3.07Å; I363-T366 PolarHBondContact O-N 3.1Å; T366-K368 VanDerWaalsContact C-N 3.26Å; T366-K368 PolarHBondContact O-N 3.27Å; T366-N369 PolarHBondContact O-N 2.86Å; T366-N370 HydrophobicContact CG2-CB 4.22Å; T366-N370 WeakPolarHBondContact O-CA 2.97Å; T366-N370 WeakPolarHBondContact O-CB 3.44Å; T366-N370 PolarHBondContact O-N 3.27Å; T366-L385 HydrophobicContact CG2-CD2 3.84Å; T366-F435 HydrophobicContact CG2-CE1 4.07Å; T366-F435 HydrophobicContact CG2-CZ 4.48Å; T366-Y446 HydrophobicContact CG2-CD1 3.77Å; T366-Y446 HydrophobicContact CG2-CE1 3.27Å; T366-Y446 HydrophobicContact CG2-CE2 4.14Å; T366-Y446 HydrophobicContact CG2-CG 4.4Å; T366-Y446 VanDerWaalsContact CG2-CZ 3.47Å
367	L	91.9	Very high	94	Very high	16 Å²	16	54.7 Å²	54.7	8%	0.084	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-30.2	175.1	-178.2	54.8	0	0	0	112.5	I363 A371 L385 F389 T396 L399	I363-L367 VanDerWaalsContact O-CB 3.32Å; I363-L367 WeakPolarHBondContact O-CB 3.29Å; I363-L367 PolarHBondContact O-N 2.84Å; L367-A371 WeakPolarHBondContact O-CB 3.38Å; L367-L385 HydrophobicContact CB-CD2 4.35Å; L367-L385 HydrophobicContact CD1-CD2 4.35Å; L367-L385 HydrophobicContact CD1-CG 4.07Å; L367-F389 HydrophobicContact CD1-CD2 4Å; L367-F389 HydrophobicContact CD1-CG 4.45Å; L367-F389 HydrophobicContact CD2-CB 4.31Å; L367-F389 HydrophobicContact CD2-CD1 3.98Å; L367-F389 HydrophobicContact CD2-CD2 3.78Å; L367-F389 HydrophobicContact CD2-CE1 4.3Å; L367-F389 HydrophobicContact CD2-CE2 4.1Å; L367-F389 HydrophobicContact CD2-CG 3.73Å; L367-F389 HydrophobicContact CD2-CZ 4.36Å; L367-F389 HydrophobicContact CG-CD2 4.47Å; L367-T396 HydrophobicContact CB-CG2 4.29Å; L367-T396 HydrophobicContact CD2-CG2 3.44Å; L367-T396 VanDerWaalsContact CD2-CG2 3.44Å; L367-T396 HydrophobicContact CG-CG2 3.65Å; L367-L399 HydrophobicContact CD2-CD1 4.4Å
368	K	92.9	Very high	93.3	Very high	172 Å²	172	49.5 Å²	49.5	75%	0.748	25%	0.246	S	C	*	.	H	α-helix	trans	-71.8	-39.2	173.1	-177.2	177.7	177	-179.9	0	113.3	K364 K365 T366	K364-K368 WeakPolarHBondContact O-CB 3.22Å; K364-K368 PolarHBondContact O-N 3.36Å; K365-K368 PolarHBondContact O-N 3.04Å; T366-K368 VanDerWaalsContact C-N 3.26Å; T366-K368 PolarHBondContact O-N 3.27Å
369	N	95.1	Very high	92.7	Very high	109 Å²	109	54.9 Å²	54.9	58%	0.583	28%	0.275	S	S	*	.	H	α-helix	trans	-96.6	-29.1	-169.9	-65.1	-8.7	0	0	0	113.6	K365 T366	K365-N369 WeakPolarHBondContact O-CB 3.39Å; K365-N369 VanDerWaalsContact O-CG 3.28Å; K365-N369 PolarHBondContact O-N 3.27Å; K365-N369 VanDerWaalsContact O-N 3.08Å; T366-N369 PolarHBondContact O-N 2.86Å
370	N	94.9	Very high	92.1	Very high	52 Å²	52	57.6 Å²	57.6	28%	0.278	30%	0.303	S	S	.	.	S	Bend	trans	-126.7	24.1	-168.9	-65.3	69.1	0	0	0	112.1	T366 N372 E373 Y446	T366-N370 HydrophobicContact CG2-CB 4.22Å; T366-N370 WeakPolarHBondContact O-CA 2.97Å; T366-N370 WeakPolarHBondContact O-CB 3.44Å; T366-N370 PolarHBondContact O-N 3.27Å; N370-N372 PolarHBondContact O-N 3.45Å; N370-E373 HydrophobicContact CB-CB 4.31Å; N370-E373 PolarHBondContact ND2-OE2 3.22Å; N370-E373 WeakPolarHBondContact O-CB 3.44Å; N370-E373 PolarHBondContact O-N 2.66Å; N370-Y446 WeakPolarHBondContact CB-OH 3.31Å
371	A	92.3	Very high	91.8	Very high	27 Å²	27	63 Å²	63	22%	0.223	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-39.4	-177.3	0	0	0	0	0	114.6	L367 L385 A386	L367-A371 WeakPolarHBondContact O-CB 3.38Å; A371-L385 PolarHBondContact O-N 3.08Å; A371-A386 HydrophobicContact CB-CB 4.26Å; A371-A386 VanDerWaalsContact O-CB 3.29Å; A371-A386 WeakPolarHBondContact O-CB 3.15Å; A371-A386 PolarHBondContact O-N 3.18Å
372	N	95.1	Very high	91.7	Very high	139 Å²	139	62.5 Å²	62.5	74%	0.743	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	1.6	-174.8	-60	-26.5	0	0	0	113.6	N370 T384	N370-N372 PolarHBondContact O-N 3.45Å; N372-T384 WeakPolarHBondContact O-CG2 3.12Å
373	E	95.4	Very high	91.6	Very high	47 Å²	47	63.8 Å²	63.8	22%	0.22	34%	0.337	C	S	.	.	S	Bend	trans	-72.7	133.6	176.8	-167.4	165.6	166.1	0	0	109.7	N370 V375 T384 L385 L442 K445 Y446	N370-E373 HydrophobicContact CB-CB 4.31Å; N370-E373 PolarHBondContact ND2-OE2 3.22Å; N370-E373 WeakPolarHBondContact O-CB 3.44Å; N370-E373 PolarHBondContact O-N 2.66Å; E373-V375 WeakPolarHBondContact O-CG1 3.37Å; E373-V375 PolarHBondContact O-N 3.29Å; E373-T384 CarbonylContact O-C 3.48Å; E373-T384 WeakPolarHBondContact O-CA 3.48Å; E373-L385 PolarHBondContact O-N 3.29Å; E373-L442 HydrophobicContact CG-CD1 4.36Å; E373-L442 HydrophobicContact CG-CD2 4.46Å; E373-K445 IonicContact OE1-NZ 2.63Å; E373-K445 PolarHBondContact OE1-NZ 3.31Å; E373-K445 IonicContact OE2-NZ 3.06Å; E373-K445 PolarHBondContact OE2-NZ 3.44Å; E373-Y446 PolarHBondContact OE2-OH 3.12Å
374	V	94.9	Very high	91.6	Very high	37 Å²	37	65 Å²	65	22%	0.224	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	122.5	176.5	-178.3	0	0	0	0	108.8	Q382 T384 Y441 L442	V374-Q382 HydrophobicContact CG1-CB 3.73Å; V374-Q382 HydrophobicContact CG1-CG 3.95Å; V374-T384 HydrophobicContact CG2-CG2 4.23Å; V374-Y441 HydrophobicContact CB-CE1 3.96Å; V374-Y441 HydrophobicContact CG1-CD1 4.24Å; V374-Y441 HydrophobicContact CG1-CE1 3.48Å; V374-Y441 VanDerWaalsContact CG1-CE1 3.48Å; V374-L442 WeakPolarHBondContact O-CD2 3.44Å
375	V	93.9	Very high	91.6	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.006	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-17	-171.2	-56.7	0	0	0	0	114.4	E373 M383 L385 V388 V434 Y441 L442 Y446	E373-V375 WeakPolarHBondContact O-CG1 3.37Å; E373-V375 PolarHBondContact O-N 3.29Å; V375-M383 PolarHBondContact N-O 3.25Å; V375-L385 HydrophobicContact CG1-CB 3.77Å; V375-L385 HydrophobicContact CG1-CD1 4.12Å; V375-L385 HydrophobicContact CG1-CG 4.44Å; V375-L385 HydrophobicContact CG2-CB 4.42Å; V375-L385 HydrophobicContact CG2-CD1 4.24Å; V375-V388 HydrophobicContact CG2-CG2 3.74Å; V375-V434 HydrophobicContact CB-CG1 3.96Å; V375-V434 HydrophobicContact CB-CG2 3.87Å; V375-V434 HydrophobicContact CG1-CG1 4.29Å; V375-V434 HydrophobicContact CG2-CG1 4.35Å; V375-V434 HydrophobicContact CG2-CG2 3.81Å; V375-Y441 WeakPolarHBondContact O-CB 3.5Å; V375-L442 HydrophobicContact CB-CD1 4.24Å; V375-L442 HydrophobicContact CG1-CD1 3.85Å; V375-Y446 HydrophobicContact CG1-CE2 4.01Å
376	T	91.3	Very high	91.4	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.043	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	164.8	178.9	-172.3	0	0	0	0	110.7	M383 V388	T376-M383 HydrophobicContact CG2-CB 4.04Å; T376-M383 PolarHBondContact O-N 2.72Å; T376-V388 HydrophobicContact CG2-CG2 3.71Å
377	V	88.8	Confident	91.2	Very high	61 Å²	61	61 Å²	61	37%	0.37	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.2	170.6	177.4	0	0	0	0	107.5	Q381 Q382 Y441	V377-Q381 WeakPolarHBondContact CA-O 3.48Å; V377-Q382 HydrophobicContact CG2-CG 3.88Å; V377-Y441 HydrophobicContact CG2-CD2 3.77Å; V377-Y441 HydrophobicContact CG2-CE2 3.47Å; V377-Y441 VanDerWaalsContact CG2-CE2 3.47Å
378	T	81.4	Confident	91.1	Very high	43 Å²	43	60.3 Å²	60.3	26%	0.264	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.4	177.9	-50.8	0	0	0	0	108.3	G380 Q381	T378-G380 PolarHBondContact O-N 3.45Å; T378-Q381 PolarHBondContact N-O 2.78Å; T378-Q381 PolarHBondContact O-N 3.01Å
379	N	81.2	Confident	90.9	Very high	122 Å²	122	52.3 Å²	52.3	65%	0.652	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	35.2	-177	-61.1	-30.3	0	0	0	114.1	Q381	N379-Q381 PolarHBondContact O-N 2.93Å
380	G	83.9	Confident	90.6	Very high	57 Å²	57	53.3 Å²	53.3	59%	0.588	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	-4.7	-176.3	0	0	0	0	0	115.2	T378	T378-G380 PolarHBondContact O-N 3.45Å
381	Q	87.6	Confident	90.3	Very high	132 Å²	132	53.5 Å²	53.5	62%	0.617	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.6	176.1	-173.4	171.3	-4.7	0	0	111	V377 T378 N379	V377-Q381 WeakPolarHBondContact CA-O 3.48Å; T378-Q381 PolarHBondContact N-O 2.78Å; T378-Q381 PolarHBondContact O-N 3.01Å; N379-Q381 PolarHBondContact O-N 2.93Å
382	Q	92.3	Very high	89.8	Confident	111 Å²	111	53.5 Å²	53.5	52%	0.519	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	131.6	170.5	-76.4	178.1	12.5	0	0	110.6	V374 V377 Y441	V374-Q382 HydrophobicContact CG1-CB 3.73Å; V374-Q382 HydrophobicContact CG1-CG 3.95Å; V377-Q382 HydrophobicContact CG2-CG 3.88Å; Q382-Y441 PolarHBondContact NE2-OH 3.44Å
383	M	92.7	Very high	89.3	Confident	29 Å²	29	53.9 Å²	53.9	14%	0.143	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.8	175.7	-64.4	-174.2	70.8	0	0	111.1	V375 T376 Q387 V388	V375-M383 PolarHBondContact N-O 3.25Å; T376-M383 HydrophobicContact CG2-CB 4.04Å; T376-M383 PolarHBondContact O-N 2.72Å; M383-Q387 HydrophobicContact CB-CB 4.34Å; M383-Q387 HydrophobicContact CE-CB 4.1Å; M383-Q387 WeakPolarHBondContact CE-O 3.43Å; M383-V388 HydrophobicContact CB-CG2 3.95Å; M383-V388 HydrophobicContact CE-CG2 4.35Å
384	T	94.3	Very high	88.7	Confident	26 Å²	26	52.7 Å²	52.7	16%	0.16	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	159.6	168.4	65	0	0	0	0	111.4	N372 E373 V374 A386 Q387 V388	N372-T384 WeakPolarHBondContact O-CG2 3.12Å; E373-T384 CarbonylContact O-C 3.48Å; E373-T384 WeakPolarHBondContact O-CA 3.48Å; V374-T384 HydrophobicContact CG2-CG2 4.23Å; T384-A386 PolarHBondContact O-N 3.15Å; T384-Q387 WeakPolarHBondContact O-CA 3.46Å; T384-Q387 WeakPolarHBondContact O-CB 3.45Å; T384-Q387 PolarHBondContact O-N 3.43Å; T384-Q387 WeakPolarHBondContact OG1-CG 3.49Å; T384-Q387 PolarHBondContact OG1-N 2.83Å; T384-Q387 PolarHBondContact OG1-OE1 3.22Å; T384-V388 PolarHBondContact O-N 3.23Å
385	L	92.7	Very high	87.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-53.1	-43.6	175.4	-171.6	59.8	0	0	0	111.3	T366 L367 A371 E373 V375 Q387 V388 F389 V434 F435	T366-L385 HydrophobicContact CG2-CD2 3.84Å; L367-L385 HydrophobicContact CB-CD2 4.35Å; L367-L385 HydrophobicContact CD1-CD2 4.35Å; L367-L385 HydrophobicContact CD1-CG 4.07Å; A371-L385 PolarHBondContact O-N 3.08Å; E373-L385 PolarHBondContact O-N 3.29Å; V375-L385 HydrophobicContact CG1-CB 3.77Å; V375-L385 HydrophobicContact CG1-CD1 4.12Å; V375-L385 HydrophobicContact CG1-CG 4.44Å; V375-L385 HydrophobicContact CG2-CB 4.42Å; V375-L385 HydrophobicContact CG2-CD1 4.24Å; L385-Q387 PolarHBondContact O-N 3.19Å; L385-V388 PolarHBondContact O-N 3.2Å; L385-F389 HydrophobicContact CD1-CD2 4.09Å; L385-F389 HydrophobicContact CD1-CE2 3.78Å; L385-F389 HydrophobicContact CG-CD2 4.28Å; L385-F389 HydrophobicContact CG-CE2 4.28Å; L385-F389 WeakPolarHBondContact O-CD2 3.33Å; L385-F389 PolarHBondContact O-N 3.43Å; L385-F389 VanDerWaalsContact O-N 3.12Å; L385-V434 HydrophobicContact CD1-CG1 4.41Å; L385-F435 HydrophobicContact CD1-CE2 4.17Å; L385-F435 HydrophobicContact CD1-CZ 3.99Å; L385-F435 HydrophobicContact CD2-CZ 4.47Å
386	A	91.4	Very high	87	Confident	19 Å²	19	57.8 Å²	57.8	16%	0.157	32%	0.324	C	S	.	.	H	α-helix	trans	-60	-42.1	174.4	0	0	0	0	0	112.8	A371 T384 F389 Q390	A371-A386 HydrophobicContact CB-CB 4.26Å; A371-A386 VanDerWaalsContact O-CB 3.29Å; A371-A386 WeakPolarHBondContact O-CB 3.15Å; A371-A386 PolarHBondContact O-N 3.18Å; T384-A386 PolarHBondContact O-N 3.15Å; A386-F389 PolarHBondContact O-N 2.96Å; A386-Q390 WeakPolarHBondContact O-CB 3.49Å; A386-Q390 WeakPolarHBondContact O-CG 3.3Å; A386-Q390 PolarHBondContact O-N 2.89Å
387	Q	91.9	Very high	86.3	Confident	75 Å²	75	67.1 Å²	67.1	35%	0.35	36%	0.36	S	S	.	.	H	α-helix	trans	-67.5	-34.7	177.4	-74.3	167.7	-34	0	0	112.5	M383 T384 L385 Q390 S391	M383-Q387 HydrophobicContact CB-CB 4.34Å; M383-Q387 HydrophobicContact CE-CB 4.1Å; M383-Q387 WeakPolarHBondContact CE-O 3.43Å; T384-Q387 WeakPolarHBondContact O-CA 3.46Å; T384-Q387 WeakPolarHBondContact O-CB 3.45Å; T384-Q387 PolarHBondContact O-N 3.43Å; T384-Q387 WeakPolarHBondContact OG1-CG 3.49Å; T384-Q387 PolarHBondContact OG1-N 2.83Å; T384-Q387 PolarHBondContact OG1-OE1 3.22Å; L385-Q387 PolarHBondContact O-N 3.19Å; Q387-Q390 PolarHBondContact O-N 2.7Å; Q387-S391 WeakPolarHBondContact O-CB 3.33Å; Q387-S391 PolarHBondContact O-N 3.38Å
388	V	89.8	Confident	85.8	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.006	36%	0.359	C	S	.	.	H	α-helix	trans	-61.5	-51.5	173	175.1	0	0	0	0	109.8	V375 T376 M383 T384 L385 Q390 S391 M392 L431	V375-V388 HydrophobicContact CG2-CG2 3.74Å; T376-V388 HydrophobicContact CG2-CG2 3.71Å; M383-V388 HydrophobicContact CB-CG2 3.95Å; M383-V388 HydrophobicContact CE-CG2 4.35Å; T384-V388 PolarHBondContact O-N 3.23Å; L385-V388 PolarHBondContact O-N 3.2Å; V388-Q390 PolarHBondContact O-N 3.24Å; V388-S391 PolarHBondContact O-N 3.48Å; V388-S391 VanDerWaalsContact O-N 3.14Å; V388-S391 PolarHBondContact O-OG 2.88Å; V388-M392 HydrophobicContact CG1-CE 4Å; V388-M392 WeakPolarHBondContact O-CE 3.49Å; V388-M392 PolarHBondContact O-N 3.11Å; V388-L431 HydrophobicContact CG1-CD2 4.33Å
389	F	89	Confident	85.9	Confident	3 Å²	3	65.3 Å²	65.3	1%	0.013	35%	0.347	C	S	.	.	H	α-helix	trans	-61.9	-39.8	176.6	-82.6	-85.8	0	0	0	113.5	I363 L367 L385 A386 S391 M392 N393 L394 L399 I426 L431 F435	I363-F389 HydrophobicContact CG2-CE1 4.33Å; I363-F389 HydrophobicContact CG2-CE2 4.37Å; I363-F389 HydrophobicContact CG2-CZ 3.6Å; L367-F389 HydrophobicContact CD1-CD2 4Å; L367-F389 HydrophobicContact CD1-CG 4.45Å; L367-F389 HydrophobicContact CD2-CB 4.31Å; L367-F389 HydrophobicContact CD2-CD1 3.98Å; L367-F389 HydrophobicContact CD2-CD2 3.78Å; L367-F389 HydrophobicContact CD2-CE1 4.3Å; L367-F389 HydrophobicContact CD2-CE2 4.1Å; L367-F389 HydrophobicContact CD2-CG 3.73Å; L367-F389 HydrophobicContact CD2-CZ 4.36Å; L367-F389 HydrophobicContact CG-CD2 4.47Å; L385-F389 HydrophobicContact CD1-CD2 4.09Å; L385-F389 HydrophobicContact CD1-CE2 3.78Å; L385-F389 HydrophobicContact CG-CD2 4.28Å; L385-F389 HydrophobicContact CG-CE2 4.28Å; L385-F389 WeakPolarHBondContact O-CD2 3.33Å; L385-F389 PolarHBondContact O-N 3.43Å; L385-F389 VanDerWaalsContact O-N 3.12Å; A386-F389 PolarHBondContact O-N 2.96Å; F389-S391 VanDerWaalsContact C-N 3.34Å; F389-S391 PolarHBondContact O-N 3.13Å; F389-M392 HydrophobicContact CB-CE 4.45Å; F389-M392 HydrophobicContact CD1-CE 3.88Å; F389-M392 HydrophobicContact CE1-CE 4.14Å; F389-M392 HydrophobicContact CG-CE 4.06Å; F389-M392 PolarHBondContact O-N 2.92Å; F389-N393 PolarHBondContact O-N 3.02Å; F389-L394 HydrophobicContact CD1-CB 4.16Å; F389-L394 PolarHBondContact O-N 2.7Å; F389-L399 HydrophobicContact CD1-CD1 4.23Å; F389-L399 HydrophobicContact CD1-CD2 4.4Å; F389-L399 HydrophobicContact CE1-CD1 3.65Å; F389-L399 HydrophobicContact CE1-CD2 3.86Å; F389-L399 HydrophobicContact CE1-CG 4.34Å; F389-L399 HydrophobicContact CZ-CD1 4.33Å; F389-I426 HydrophobicContact CE1-CD1 4.43Å; F389-L431 HydrophobicContact CE1-CD1 4.41Å; F389-L431 HydrophobicContact CE1-CD2 4.48Å; F389-L431 HydrophobicContact CE2-CD2 3.84Å; F389-L431 HydrophobicContact CZ-CD1 4.26Å; F389-L431 HydrophobicContact CZ-CD2 3.71Å; F389-F435 HydrophobicContact CE2-CE2 4.46Å
390	Q	88.7	Confident	86.1	Confident	131 Å²	131	62.7 Å²	62.7	61%	0.612	34%	0.335	S	S	*	.	H	α-helix	trans	-61.9	-39.1	172.8	-74.7	168.6	-2.7	0	0	112.4	A386 Q387 V388 M392 N393	A386-Q390 WeakPolarHBondContact O-CB 3.49Å; A386-Q390 WeakPolarHBondContact O-CG 3.3Å; A386-Q390 PolarHBondContact O-N 2.89Å; Q387-Q390 PolarHBondContact O-N 2.7Å; V388-Q390 PolarHBondContact O-N 3.24Å; Q390-M392 PolarHBondContact O-N 3.08Å; Q390-N393 PolarHBondContact O-N 2.94Å
391	S	87.2	Confident	86	Confident	56 Å²	56	61.8 Å²	61.8	39%	0.392	32%	0.318	S	S	.	.	H	α-helix	trans	-65.4	-21.8	178.5	76.8	0	0	0	0	113.8	Q387 V388 F389 R430	Q387-S391 WeakPolarHBondContact O-CB 3.33Å; Q387-S391 PolarHBondContact O-N 3.38Å; V388-S391 PolarHBondContact O-N 3.48Å; V388-S391 VanDerWaalsContact O-N 3.14Å; V388-S391 PolarHBondContact O-OG 2.88Å; F389-S391 VanDerWaalsContact C-N 3.34Å; F389-S391 PolarHBondContact O-N 3.13Å; S391-R430 PolarHBondContact OG-NH1 2.92Å
392	M	83.4	Confident	85.7	Confident	27 Å²	27	62 Å²	62	13%	0.133	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	0.9	174.4	-60.2	176.8	-63.7	0	0	112.6	V388 F389 Q390 L394 E428 L431	V388-M392 HydrophobicContact CG1-CE 4Å; V388-M392 WeakPolarHBondContact O-CE 3.49Å; V388-M392 PolarHBondContact O-N 3.11Å; F389-M392 HydrophobicContact CB-CE 4.45Å; F389-M392 HydrophobicContact CD1-CE 3.88Å; F389-M392 HydrophobicContact CE1-CE 4.14Å; F389-M392 HydrophobicContact CG-CE 4.06Å; F389-M392 PolarHBondContact O-N 2.92Å; Q390-M392 PolarHBondContact O-N 3.08Å; M392-L394 VanDerWaalsContact C-N 3.32Å; M392-L394 HydrophobicContact CB-CD1 3.84Å; M392-L394 HydrophobicContact CB-CG 3.82Å; M392-L394 HydrophobicContact CE-CD1 4.26Å; M392-L394 WeakPolarHBondContact O-CG 3.42Å; M392-L394 PolarHBondContact O-N 3.44Å; M392-L394 HydrophobicContact SD-CD1 4.48Å; M392-E428 HydrophobicContact CG-CG 4.28Å; M392-E428 HydrophobicContact SD-CB 3.91Å; M392-E428 HydrophobicContact SD-CG 3.57Å; M392-E428 VanDerWaalsContact SD-CG 3.57Å; M392-L431 HydrophobicContact CE-CD1 3.92Å; M392-L431 HydrophobicContact CE-CD2 4.05Å; M392-L431 HydrophobicContact CE-CG 4.06Å; M392-L431 HydrophobicContact SD-CD1 4.14Å; M392-L431 HydrophobicContact SD-CG 4.24Å
393	N	84.1	Confident	85.1	Confident	147 Å²	147	60 Å²	60	79%	0.786	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	36.2	-170.5	-64.5	-51.4	0	0	0	114.3	F389 Q390	F389-N393 PolarHBondContact O-N 3.02Å; Q390-N393 PolarHBondContact O-N 2.94Å
394	L	81.2	Confident	84.6	Confident	22 Å²	22	58.6 Å²	58.6	12%	0.115	31%	0.308	C	S	.	.			trans	-113.1	134.9	-176.5	-57.4	-180	0	0	0	112.5	F389 M392 L399 M403 I426	F389-L394 HydrophobicContact CD1-CB 4.16Å; F389-L394 PolarHBondContact O-N 2.7Å; M392-L394 VanDerWaalsContact C-N 3.32Å; M392-L394 HydrophobicContact CB-CD1 3.84Å; M392-L394 HydrophobicContact CB-CG 3.82Å; M392-L394 HydrophobicContact CE-CD1 4.26Å; M392-L394 WeakPolarHBondContact O-CG 3.42Å; M392-L394 PolarHBondContact O-N 3.44Å; M392-L394 HydrophobicContact SD-CD1 4.48Å; L394-L399 HydrophobicContact CD1-CD2 4.26Å; L394-M403 HydrophobicContact CD2-CE 3.33Å; L394-M403 HydrophobicContact CD2-SD 3.96Å; L394-I426 HydrophobicContact CD1-CD1 3.49Å; L394-I426 VanDerWaalsContact CD1-CD1 3.49Å; L394-I426 HydrophobicContact CD1-CG2 3.91Å
395	T	77	Confident	84	Confident	74 Å²	74	61.4 Å²	61.4	45%	0.454	32%	0.322	S	S	.	.			trans	-103.9	164.6	169.1	81.6	0	0	0	0	111.7	Y397 D398 L399	T395-Y397 PolarHBondContact O-N 3.46Å; T395-Y397 VanDerWaalsContact O-N 3.11Å; T395-Y397 PolarHBondContact OG1-N 2.84Å; T395-D398 WeakPolarHBondContact CA-OD2 3.34Å; T395-D398 VanDerWaalsContact CB-OD2 3.23Å; T395-D398 WeakPolarHBondContact CB-OD2 3.41Å; T395-D398 WeakPolarHBondContact CG2-OD2 3.27Å; T395-D398 PolarHBondContact N-OD2 3.3Å; T395-D398 PolarHBondContact O-N 2.82Å; T395-D398 VanDerWaalsContact OG1-CG 3.3Å; T395-D398 PolarHBondContact OG1-OD2 3Å; T395-L399 WeakPolarHBondContact O-CG 3.31Å
396	T	76.6	Confident	83.5	Confident	71 Å²	71	61.4 Å²	61.4	44%	0.436	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.1	173.2	45.7	0	0	0	0	114.1	K364 L367	K364-T396 VanDerWaalsContact CE-O 3.24Å; K364-T396 WeakPolarHBondContact CE-O 3.24Å; K364-T396 PolarHBondContact NZ-O 3.33Å; K364-T396 VanDerWaalsContact NZ-O 3.14Å; L367-T396 HydrophobicContact CB-CG2 4.29Å; L367-T396 HydrophobicContact CD2-CG2 3.44Å; L367-T396 VanDerWaalsContact CD2-CG2 3.44Å; L367-T396 HydrophobicContact CG-CG2 3.65Å
397	Y	76.7	Confident	83.1	Confident	203 Å²	203	62.5 Å²	62.5	80%	0.796	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-41.8	179.9	-170.9	-97.1	0	0	0	111.2	T395 L399	T395-Y397 PolarHBondContact O-N 3.46Å; T395-Y397 VanDerWaalsContact O-N 3.11Å; T395-Y397 PolarHBondContact OG1-N 2.84Å; Y397-L399 VanDerWaalsContact C-N 3.34Å; Y397-L399 PolarHBondContact O-N 2.81Å
398	D	78.6	Confident	82.5	Confident	66 Å²	66	59.5 Å²	59.5	35%	0.353	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-27.1	-173.9	-46.9	-51.4	0	0	0	113	T395 T400 M403	T395-D398 WeakPolarHBondContact CA-OD2 3.34Å; T395-D398 VanDerWaalsContact CB-OD2 3.23Å; T395-D398 WeakPolarHBondContact CB-OD2 3.41Å; T395-D398 WeakPolarHBondContact CG2-OD2 3.27Å; T395-D398 PolarHBondContact N-OD2 3.3Å; T395-D398 PolarHBondContact O-N 2.82Å; T395-D398 VanDerWaalsContact OG1-CG 3.3Å; T395-D398 PolarHBondContact OG1-OD2 3Å; D398-T400 PolarHBondContact O-N 3.26Å; D398-M403 HydrophobicContact CB-SD 4.22Å; D398-M403 VanDerWaalsContact O-SD 3.37Å
399	L	83.4	Confident	82.1	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.327	C	S	.	.			trans	-61.2	100.9	179.8	-61	175.4	0	0	0	111.3	L360 I363 K364 L367 F389 L394 T395 Y397 I426	L360-L399 HydrophobicContact CD1-CB 3.91Å; I363-L399 HydrophobicContact CG2-CD1 4.16Å; K364-L399 WeakPolarHBondContact CE-O 3.47Å; K364-L399 HydrophobicContact CG-CD1 4.47Å; K364-L399 PolarHBondContact NZ-O 3.2Å; L367-L399 HydrophobicContact CD2-CD1 4.4Å; F389-L399 HydrophobicContact CD1-CD1 4.23Å; F389-L399 HydrophobicContact CD1-CD2 4.4Å; F389-L399 HydrophobicContact CE1-CD1 3.65Å; F389-L399 HydrophobicContact CE1-CD2 3.86Å; F389-L399 HydrophobicContact CE1-CG 4.34Å; F389-L399 HydrophobicContact CZ-CD1 4.33Å; L394-L399 HydrophobicContact CD1-CD2 4.26Å; T395-L399 WeakPolarHBondContact O-CG 3.31Å; Y397-L399 VanDerWaalsContact C-N 3.34Å; Y397-L399 PolarHBondContact O-N 2.81Å; L399-I426 HydrophobicContact CD2-CD1 3.43Å; L399-I426 VanDerWaalsContact CD2-CD1 3.43Å
400	T	86.2	Confident	81.6	Confident	66 Å²	66	73.8 Å²	73.8	41%	0.405	37%	0.37	S	S	.	.			trans	-104.3	176.4	169.6	61.2	0	0	0	0	110.7	D398 M403 L404	D398-T400 PolarHBondContact O-N 3.26Å; T400-M403 WeakPolarHBondContact OG1-CB 3.41Å; T400-M403 PolarHBondContact OG1-N 3.39Å; T400-M403 VanDerWaalsContact OG1-N 3.11Å; T400-L404 PolarHBondContact O-N 3.24Å
401	V	81.1	Confident	81.3	Confident	38 Å²	38	72 Å²	72	23%	0.23	37%	0.365	C	S	.	.	H	α-helix	trans	-64.8	-46.6	172.1	170.8	0	0	0	0	109.7	Q356 L360 M403 L404	Q356-V401 HydrophobicContact CB-CG1 4.1Å; Q356-V401 HydrophobicContact CG-CG1 3.67Å; L360-V401 HydrophobicContact CD2-CG2 3.66Å; V401-M403 VanDerWaalsContact C-N 3.27Å; V401-M403 PolarHBondContact O-N 3.33Å; V401-L404 WeakPolarHBondContact O-CB 3.44Å; V401-L404 PolarHBondContact O-N 2.72Å
402	D	80.9	Confident	80.8	Confident	137 Å²	137	69.3 Å²	69.3	73%	0.733	35%	0.346	S	S	*	.	H	α-helix	trans	-60.2	-37.8	178.9	-44.4	-43.4	0	0	0	111.8	L404 D405	D402-L404 VanDerWaalsContact C-N 3.28Å; D402-L404 PolarHBondContact O-N 2.94Å; D402-D405 PolarHBondContact O-N 3.42Å
403	M	81.2	Confident	80.5	Confident	69 Å²	69	71.2 Å²	71.2	34%	0.34	35%	0.354	S	S	.	.	H	α-helix	trans	-69.4	-22.2	177.6	-166.9	171.3	-139.1	0	0	113.4	L394 D398 T400 V401 D405 I426	L394-M403 HydrophobicContact CD2-CE 3.33Å; L394-M403 HydrophobicContact CD2-SD 3.96Å; D398-M403 HydrophobicContact CB-SD 4.22Å; D398-M403 VanDerWaalsContact O-SD 3.37Å; T400-M403 WeakPolarHBondContact OG1-CB 3.41Å; T400-M403 PolarHBondContact OG1-N 3.39Å; T400-M403 VanDerWaalsContact OG1-N 3.11Å; V401-M403 VanDerWaalsContact C-N 3.27Å; V401-M403 PolarHBondContact O-N 3.33Å; M403-D405 PolarHBondContact O-N 3.07Å; M403-I426 HydrophobicContact CG-CG2 4.13Å; M403-I426 WeakPolarHBondContact O-CA 3.3Å; M403-I426 WeakPolarHBondContact O-CG1 3.3Å; M403-I426 WeakPolarHBondContact O-CG2 3.37Å
404	L	81.3	Confident	80.2	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-67.6	-24.7	170.6	-67.6	-177.3	0	0	0	111.9	L360 I363 T400 V401 D402 V406 P425 I426	L360-L404 HydrophobicContact CB-CD1 3.73Å; L360-L404 HydrophobicContact CD1-CD1 4.06Å; L360-L404 HydrophobicContact CD1-CD2 4.3Å; L360-L404 HydrophobicContact CD1-CG 4.12Å; L360-L404 HydrophobicContact CG-CD1 4.45Å; I363-L404 HydrophobicContact CD1-CD2 4.09Å; T400-L404 PolarHBondContact O-N 3.24Å; V401-L404 WeakPolarHBondContact O-CB 3.44Å; V401-L404 PolarHBondContact O-N 2.72Å; D402-L404 VanDerWaalsContact C-N 3.28Å; D402-L404 PolarHBondContact O-N 2.94Å; L404-V406 HydrophobicContact CB-CG1 4.13Å; L404-V406 HydrophobicContact CB-CG2 4.05Å; L404-V406 WeakPolarHBondContact O-CG1 3.4Å; L404-V406 PolarHBondContact O-N 3.03Å; L404-P425 HydrophobicContact CD2-CB 4.24Å; L404-I426 HydrophobicContact CD2-CD1 4.43Å; L404-I426 HydrophobicContact CD2-CG1 4.02Å; L404-I426 PolarHBondContact O-N 3.01Å
405	D	82.5	Confident	80.2	Confident	85 Å²	85	74.1 Å²	74.1	46%	0.455	36%	0.357	S	S	.	.			trans	44	36.2	-176.7	-164.3	41.5	0	0	0	114.6	D402 M403 K422	D402-D405 PolarHBondContact O-N 3.42Å; M403-D405 PolarHBondContact O-N 3.07Å; D405-K422 WeakPolarHBondContact O-CD 3.09Å; D405-K422 PolarHBondContact O-NZ 3.23Å; D405-K422 IonicContact OD1-NZ 2.67Å; D405-K422 PolarHBondContact OD1-NZ 3.43Å; D405-K422 IonicContact OD2-NZ 2.96Å; D405-K422 PolarHBondContact OD2-NZ 2.89Å
406	V	81.1	Confident	80.2	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	34%	0.341	C	S	.	.			trans	-93.2	-9.9	-179.2	-65.1	0	0	0	0	113.6	Q356 L404 K422 P425 L696 Q697	Q356-V406 HydrophobicContact CB-CG2 3.73Å; L404-V406 HydrophobicContact CB-CG1 4.13Å; L404-V406 HydrophobicContact CB-CG2 4.05Å; L404-V406 WeakPolarHBondContact O-CG1 3.4Å; L404-V406 PolarHBondContact O-N 3.03Å; V406-K422 WeakPolarHBondContact CA-O 3.11Å; V406-K422 WeakPolarHBondContact CG1-O 3.22Å; V406-P425 HydrophobicContact CG1-CB 4.35Å; V406-L696 HydrophobicContact CB-CD1 4.27Å; V406-L696 HydrophobicContact CB-CD2 4.35Å; V406-L696 HydrophobicContact CB-CG 4.04Å; V406-L696 HydrophobicContact CG1-CD2 4.44Å; V406-L696 HydrophobicContact CG2-CD1 3.81Å; V406-L696 HydrophobicContact CG2-CG 4.07Å; V406-Q697 WeakPolarHBondContact O-CA 3.21Å; V406-Q697 WeakPolarHBondContact O-CG 3.09Å
407	H	82.7	Confident	80.3	Confident	42 Å²	42	72.6 Å²	72.6	19%	0.194	34%	0.342	C	S	.	.	S	Bend	trans	-82.1	139.4	179.7	-152.7	-78.5	0	0	0	111	Q356 K422 Q697 F700	Q356-H407 PolarHBondContact NE2-CD2 2.96Å; H407-K422 WeakPolarHBondContact O-CD 3.3Å; H407-K422 WeakPolarHBondContact O-CE 3.05Å; H407-Q697 PolarHBondContact CE1-O 3.31Å; H407-Q697 PolarHBondContact ND1-O 3.14Å; H407-Q697 PolarHBondContact NE2-O 3.05Å; H407-F700 AromaticContact CD2-CE1 3.97Å; H407-F700 AromaticContact CE1-CE2 3.99Å; H407-F700 AromaticContact CE1-CZ 3.53Å; H407-F700 AromaticContact NE2-CE1 3.56Å; H407-F700 AromaticContact NE2-CE2 3.72Å; H407-F700 AromaticContact NE2-CZ 3.29Å; H407-F700 VanDerWaalsContact NE2-CZ 3.29Å; H407-F700 WeakPolarHBondContact NE2-CZ 3.38Å
408	A	79.3	Confident	80.4	Confident	11 Å²	11	66.2 Å²	66.2	9%	0.091	32%	0.319	C	S	.	.			trans	-67	142.4	169.9	0	0	0	0	0	110.3	T412 Q697 F698	A408-T412 HydrophobicContact CB-CG2 4.16Å; A408-Q697 HydrophobicContact CB-CB 4.46Å; A408-Q697 PolarHBondContact N-O 3.1Å; A408-F698 HydrophobicContact CB-CD1 3.72Å; A408-F698 HydrophobicContact CB-CE1 3.47Å; A408-F698 VanDerWaalsContact CB-CE1 3.47Å
409	D	82.4	Confident	80.4	Confident	63 Å²	63	63.5 Å²	63.5	34%	0.337	30%	0.303	S	S	.	.			trans	-128.5	-179	-176.3	79.3	-15.8	0	0	0	111.7	N411 T412	D409-N411 PolarHBondContact O-N 3.18Å; D409-N411 VanDerWaalsContact O-N 3.08Å; D409-N411 WeakPolarHBondContact OD1-CA 3.35Å; D409-N411 VanDerWaalsContact OD1-CB 3.3Å; D409-N411 WeakPolarHBondContact OD1-CB 3.43Å; D409-N411 PolarHBondContact OD1-N 3.3Å; D409-N411 PolarHBondContact OD2-ND2 2.87Å; D409-T412 PolarHBondContact N-OG1 2.93Å; D409-T412 VanDerWaalsContact N-OG1 3.07Å; D409-T412 VanDerWaalsContact O-CB 3.3Å; D409-T412 WeakPolarHBondContact O-CB 3.39Å; D409-T412 PolarHBondContact O-N 3.36Å; D409-T412 PolarHBondContact O-OG1 2.82Å; D409-T412 PolarHBondContact OD1-N 3.26Å; D409-T412 PolarHBondContact OD1-OG1 2.87Å
410	R	79.1	Confident	80.2	Confident	241 Å²	241	66.5 Å²	66.5	91%	0.909	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.3	176.8	-65.9	-178	64.9	157.6	0.7	114
411	N	81.4	Confident	79.9	Confident	94 Å²	94	65.9 Å²	65.9	50%	0.503	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.9	178.5	-57.3	-66.3	0	0	0	112.9	D409 R415 K418	D409-N411 PolarHBondContact O-N 3.18Å; D409-N411 VanDerWaalsContact O-N 3.08Å; D409-N411 WeakPolarHBondContact OD1-CA 3.35Å; D409-N411 VanDerWaalsContact OD1-CB 3.3Å; D409-N411 WeakPolarHBondContact OD1-CB 3.43Å; D409-N411 PolarHBondContact OD1-N 3.3Å; D409-N411 PolarHBondContact OD2-ND2 2.87Å; N411-R415 WeakPolarHBondContact O-CB 3.49Å; N411-R415 WeakPolarHBondContact O-CG 3.36Å; N411-K418 HydrophobicContact CB-CD 4.33Å; N411-K418 VanDerWaalsContact O-CD 3.27Å; N411-K418 WeakPolarHBondContact O-CD 3.44Å
412	T	75.9	Confident	80	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-20.7	-179.5	-49.3	0	0	0	0	111.8	A408 D409 H414 R415 F419 L669	A408-T412 HydrophobicContact CB-CG2 4.16Å; D409-T412 PolarHBondContact N-OG1 2.93Å; D409-T412 VanDerWaalsContact N-OG1 3.07Å; D409-T412 VanDerWaalsContact O-CB 3.3Å; D409-T412 WeakPolarHBondContact O-CB 3.39Å; D409-T412 PolarHBondContact O-N 3.36Å; D409-T412 PolarHBondContact O-OG1 2.82Å; D409-T412 PolarHBondContact OD1-N 3.26Å; D409-T412 PolarHBondContact OD1-OG1 2.87Å; T412-H414 PolarHBondContact O-N 3.2Å; T412-R415 PolarHBondContact O-N 2.73Å; T412-F419 HydrophobicContact CG2-CB 3.72Å; T412-L669 HydrophobicContact CG2-CD2 3.76Å
413	F	78.7	Confident	79.8	Confident	67 Å²	67	58.9 Å²	58.9	29%	0.294	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	123.7	177.2	-162.1	-93.8	0	0	0	111.7	R415 S668 F670	F413-R415 PolarHBondContact O-N 3.47Å; F413-S668 VanDerWaalsContact CA-O 3.28Å; F413-S668 WeakPolarHBondContact CA-O 3.29Å; F413-S668 PolarHBondContact N-O 3.2Å; F413-F670 VanDerWaalsContact CZ-C 3.5Å
414	H	77.4	Confident	79.6	Confident	119 Å²	119	56.9 Å²	56.9	55%	0.551	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	24.4	-170.3	-59	-31.7	0	0	0	115	T412 L669 F670	T412-H414 PolarHBondContact O-N 3.2Å; H414-L669 PolarHBondContact N-O 2.83Å; H414-L669 PolarHBondContact ND1-O 2.76Å; H414-F670 PolarHBondContact CE1-O 3.01Å; H414-F670 AromaticContact ND1-CD1 3.94Å
415	R	80.2	Confident	79.4	Confident	111 Å²	111	56.9 Å²	56.9	42%	0.419	27%	0.268	S	S	.	.			trans	-128.6	72.4	-179.5	-70.2	-62.4	-60.1	-105.2	0.2	110.5	N411 T412 F413 D417 K418 F419	N411-R415 WeakPolarHBondContact O-CB 3.49Å; N411-R415 WeakPolarHBondContact O-CG 3.36Å; T412-R415 PolarHBondContact O-N 2.73Å; F413-R415 PolarHBondContact O-N 3.47Å; R415-D417 VanDerWaalsContact C-OD1 3.3Å; R415-D417 WeakPolarHBondContact CA-OD1 3.35Å; R415-D417 WeakPolarHBondContact CB-OD1 3.49Å; R415-D417 IonicContact CZ-OD1 3.84Å; R415-D417 IonicContact CZ-OD2 3.7Å; R415-D417 IonicContact NE-OD1 2.69Å; R415-D417 PolarHBondContact NE-OD1 3.5Å; R415-D417 IonicContact NE-OD2 3.31Å; R415-D417 PolarHBondContact NE-OD2 3.06Å; R415-D417 IonicContact NH2-OD1 3Å; R415-D417 IonicContact NH2-OD2 2.87Å; R415-D417 PolarHBondContact NH2-OD2 3.21Å; R415-D417 PolarHBondContact O-N 3.14Å; R415-K418 HydrophobicContact CB-CB 4.1Å; R415-K418 HydrophobicContact CB-CD 4.02Å; R415-K418 HydrophobicContact CB-CG 4.18Å; R415-K418 HydrophobicContact CG-CD 4.4Å; R415-K418 WeakPolarHBondContact O-CB 3.42Å; R415-K418 PolarHBondContact O-N 3.07Å; R415-F419 PolarHBondContact O-N 3.02Å
416	F	77.4	Confident	79.1	Confident	27 Å²	27	54.6 Å²	54.6	12%	0.118	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-23.8	-178.7	-151.7	-86.1	0	0	0	112.8	F419 N420 D558 F670	F416-F419 HydrophobicContact CD1-CD1 4.01Å; F416-F419 AromaticContact CD2-CD1 3.99Å; F416-F419 HydrophobicContact CD2-CD1 3.99Å; F416-F419 AromaticContact CE1-CD1 3.76Å; F416-F419 HydrophobicContact CE1-CD1 3.76Å; F416-F419 AromaticContact CE1-CE1 3.97Å; F416-F419 HydrophobicContact CE1-CE1 3.97Å; F416-F419 AromaticContact CE2-CD1 3.73Å; F416-F419 HydrophobicContact CE2-CD1 3.73Å; F416-F419 AromaticContact CE2-CE1 3.83Å; F416-F419 HydrophobicContact CE2-CE1 3.83Å; F416-F419 HydrophobicContact CG-CD1 4.14Å; F416-F419 AromaticContact CZ-CD1 3.61Å; F416-F419 HydrophobicContact CZ-CD1 3.61Å; F416-F419 AromaticContact CZ-CE1 3.51Å; F416-F419 HydrophobicContact CZ-CE1 3.51Å; F416-F419 PolarHBondContact O-N 2.78Å; F416-N420 WeakPolarHBondContact CD1-ND2 3.46Å; F416-N420 WeakPolarHBondContact O-CB 3.22Å; F416-N420 PolarHBondContact O-N 2.98Å; F416-N420 PolarHBondContact O-ND2 2.88Å; F416-D558 HydrophobicContact CB-CB 4Å; F416-D558 VanDerWaalsContact CB-OD2 3.3Å; F416-D558 WeakPolarHBondContact CB-OD2 3.45Å; F416-D558 HydrophobicContact CD1-CB 3.57Å; F416-D558 HydrophobicContact CD2-CB 4.18Å; F416-D558 HydrophobicContact CE1-CB 4.03Å; F416-D558 HydrophobicContact CG-CB 3.64Å; F416-F670 HydrophobicContact CD2-CZ 4.1Å; F416-F670 HydrophobicContact CE2-CZ 4.46Å
417	D	78.6	Confident	78.8	Confident	85 Å²	85	57 Å²	57	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-61.7	-43.5	169	66.2	-48.3	0	0	0	112.4	R415 N420 S421	R415-D417 VanDerWaalsContact C-OD1 3.3Å; R415-D417 WeakPolarHBondContact CA-OD1 3.35Å; R415-D417 WeakPolarHBondContact CB-OD1 3.49Å; R415-D417 IonicContact CZ-OD1 3.84Å; R415-D417 IonicContact CZ-OD2 3.7Å; R415-D417 IonicContact NE-OD1 2.69Å; R415-D417 PolarHBondContact NE-OD1 3.5Å; R415-D417 IonicContact NE-OD2 3.31Å; R415-D417 PolarHBondContact NE-OD2 3.06Å; R415-D417 IonicContact NH2-OD1 3Å; R415-D417 IonicContact NH2-OD2 2.87Å; R415-D417 PolarHBondContact NH2-OD2 3.21Å; R415-D417 PolarHBondContact O-N 3.14Å; D417-N420 PolarHBondContact O-N 3.19Å; D417-S421 PolarHBondContact O-N 3.31Å
418	K	79.2	Confident	78.5	Confident	70 Å²	70	57.6 Å²	57.6	30%	0.304	28%	0.284	S	S	.	.	H	α-helix	trans	-72.8	-37.5	175.6	-68.8	-178.7	173.1	-174.1	0	112.1	N411 R415 S421 K422	N411-K418 HydrophobicContact CB-CD 4.33Å; N411-K418 VanDerWaalsContact O-CD 3.27Å; N411-K418 WeakPolarHBondContact O-CD 3.44Å; R415-K418 HydrophobicContact CB-CB 4.1Å; R415-K418 HydrophobicContact CB-CD 4.02Å; R415-K418 HydrophobicContact CB-CG 4.18Å; R415-K418 HydrophobicContact CG-CD 4.4Å; R415-K418 WeakPolarHBondContact O-CB 3.42Å; R415-K418 PolarHBondContact O-N 3.07Å; K418-S421 PolarHBondContact O-N 2.75Å; K418-S421 PolarHBondContact O-OG 3.34Å; K418-K422 WeakPolarHBondContact O-CG 3.47Å; K418-K422 PolarHBondContact O-N 3.45Å
419	F	79.2	Confident	78.6	Confident	8 Å²	8	60.3 Å²	60.3	4%	0.035	30%	0.302	C	S	.	.	H	α-helix	trans	-58	-48.4	170.7	167.8	-106.2	0	0	0	111.1	T412 R415 F416 S421 K422 Y423 L669 D694 Q697 F698	T412-F419 HydrophobicContact CG2-CB 3.72Å; R415-F419 PolarHBondContact O-N 3.02Å; F416-F419 HydrophobicContact CD1-CD1 4.01Å; F416-F419 AromaticContact CD2-CD1 3.99Å; F416-F419 HydrophobicContact CD2-CD1 3.99Å; F416-F419 AromaticContact CE1-CD1 3.76Å; F416-F419 HydrophobicContact CE1-CD1 3.76Å; F416-F419 AromaticContact CE1-CE1 3.97Å; F416-F419 HydrophobicContact CE1-CE1 3.97Å; F416-F419 AromaticContact CE2-CD1 3.73Å; F416-F419 HydrophobicContact CE2-CD1 3.73Å; F416-F419 AromaticContact CE2-CE1 3.83Å; F416-F419 HydrophobicContact CE2-CE1 3.83Å; F416-F419 HydrophobicContact CG-CD1 4.14Å; F416-F419 AromaticContact CZ-CD1 3.61Å; F416-F419 HydrophobicContact CZ-CD1 3.61Å; F416-F419 AromaticContact CZ-CE1 3.51Å; F416-F419 HydrophobicContact CZ-CE1 3.51Å; F416-F419 PolarHBondContact O-N 2.78Å; F419-S421 PolarHBondContact O-N 2.92Å; F419-K422 WeakPolarHBondContact O-CB 3.4Å; F419-K422 PolarHBondContact O-N 3.25Å; F419-Y423 HydrophobicContact CE1-CE2 4.19Å; F419-Y423 HydrophobicContact CZ-CE2 4.18Å; F419-L669 HydrophobicContact CB-CD2 3.95Å; F419-L669 HydrophobicContact CD2-CD1 4.19Å; F419-L669 HydrophobicContact CD2-CD2 3.78Å; F419-L669 HydrophobicContact CE2-CD1 4.16Å; F419-L669 HydrophobicContact CG-CD1 4.47Å; F419-L669 HydrophobicContact CG-CD2 3.95Å; F419-L669 HydrophobicContact CZ-CD1 4.41Å; F419-D694 WeakPolarHBondContact CE2-OD2 3.46Å; F419-D694 VanDerWaalsContact CZ-OD2 3.22Å; F419-D694 WeakPolarHBondContact CZ-OD2 3.4Å; F419-Q697 VanDerWaalsContact CE2-CD 3.48Å; F419-Q697 VanDerWaalsContact CE2-OE1 3.26Å; F419-F698 HydrophobicContact CD2-CZ 4.05Å; F419-F698 HydrophobicContact CE2-CE2 4.1Å; F419-F698 AromaticContact CE2-CZ 3.6Å; F419-F698 HydrophobicContact CE2-CZ 3.6Å
420	N	79.3	Confident	78.8	Confident	63 Å²	63	59.7 Å²	59.7	34%	0.337	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-30.3	177.3	-86.6	-33.4	0	0	0	113.6	F416 D417	F416-N420 WeakPolarHBondContact CD1-ND2 3.46Å; F416-N420 WeakPolarHBondContact O-CB 3.22Å; F416-N420 PolarHBondContact O-N 2.98Å; F416-N420 PolarHBondContact O-ND2 2.88Å; D417-N420 PolarHBondContact O-N 3.19Å
421	S	80	Confident	79.2	Confident	53 Å²	53	48.2 Å²	48.2	37%	0.371	25%	0.251	S	S	.	.	H	α-helix	trans	-77.4	-23.5	175.9	75.6	0	0	0	0	113.7	D417 K418 F419 Y423 N424	D417-S421 PolarHBondContact O-N 3.31Å; K418-S421 PolarHBondContact O-N 2.75Å; K418-S421 PolarHBondContact O-OG 3.34Å; F419-S421 PolarHBondContact O-N 2.92Å; S421-Y423 PolarHBondContact O-N 3.08Å; S421-N424 VanDerWaalsContact O-CB 3.3Å; S421-N424 WeakPolarHBondContact O-CB 3.41Å; S421-N424 PolarHBondContact O-N 2.73Å
422	K	83.5	Confident	79.5	Confident	12 Å²	12	46.2 Å²	46.2	5%	0.052	24%	0.237	C	C	.	.	H	α-helix	trans	-63	-18.2	174	-65.4	-55.5	177.3	-175.5	0	114.2	D405 V406 H407 K418 F419 N424 Q697	D405-K422 WeakPolarHBondContact O-CD 3.09Å; D405-K422 PolarHBondContact O-NZ 3.23Å; D405-K422 IonicContact OD1-NZ 2.67Å; D405-K422 PolarHBondContact OD1-NZ 3.43Å; D405-K422 IonicContact OD2-NZ 2.96Å; D405-K422 PolarHBondContact OD2-NZ 2.89Å; V406-K422 WeakPolarHBondContact CA-O 3.11Å; V406-K422 WeakPolarHBondContact CG1-O 3.22Å; H407-K422 WeakPolarHBondContact O-CD 3.3Å; H407-K422 WeakPolarHBondContact O-CE 3.05Å; K418-K422 WeakPolarHBondContact O-CG 3.47Å; K418-K422 PolarHBondContact O-N 3.45Å; F419-K422 WeakPolarHBondContact O-CB 3.4Å; F419-K422 PolarHBondContact O-N 3.25Å; K422-N424 PolarHBondContact O-N 2.9Å; K422-Q697 HydrophobicContact CB-CG 4.36Å; K422-Q697 VanDerWaalsContact CB-OE1 3.31Å
423	Y	76.3	Confident	80.2	Confident	16 Å²	16	49.6 Å²	49.6	6%	0.063	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.7	168.1	-73	-82.6	0	0	0	114.1	A351 F419 S421 P425 R432 D694	A351-Y423 HydrophobicContact CB-CD1 4.39Å; A351-Y423 HydrophobicContact CB-CE1 4.25Å; F419-Y423 HydrophobicContact CE1-CE2 4.19Å; F419-Y423 HydrophobicContact CZ-CE2 4.18Å; S421-Y423 PolarHBondContact O-N 3.08Å; Y423-P425 WeakPolarHBondContact O-CD 3.45Å; Y423-R432 VanDerWaalsContact CB-NH2 3.32Å; Y423-R432 VanDerWaalsContact O-CD 3.26Å; Y423-R432 WeakPolarHBondContact O-CD 3.28Å; Y423-R432 VanDerWaalsContact O-CG 3.3Å; Y423-R432 WeakPolarHBondContact O-CG 3.44Å; Y423-D694 WeakPolarHBondContact CE1-OD1 3.45Å; Y423-D694 PolarHBondContact OH-OD1 2.84Å
424	N	76.7	Confident	80.8	Confident	27 Å²	27	46.5 Å²	46.5	14%	0.144	24%	0.239	C	C	.	.	S	Bend	trans	-95	104	177.4	-59.8	-18.7	0	0	0	109.5	S421 K422 I426 G427 R432	S421-N424 VanDerWaalsContact O-CB 3.3Å; S421-N424 WeakPolarHBondContact O-CB 3.41Å; S421-N424 PolarHBondContact O-N 2.73Å; K422-N424 PolarHBondContact O-N 2.9Å; N424-I426 PolarHBondContact O-N 3.47Å; N424-G427 WeakPolarHBondContact O-CA 3.37Å; N424-G427 PolarHBondContact O-N 3.03Å; N424-R432 WeakPolarHBondContact OD1-CD 3.41Å; N424-R432 PolarHBondContact OD1-NH1 2.97Å; N424-R432 VanDerWaalsContact OD1-NH1 3.13Å
425	P	76.6	Confident	81.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-61.9	131.8	179.9	-18.5	32.2	0	0	0	110.4	L359 L404 V406 Y423 G427 E428 L431 L436	L359-P425 HydrophobicContact CD2-CG 4.27Å; L404-P425 HydrophobicContact CD2-CB 4.24Å; V406-P425 HydrophobicContact CG1-CB 4.35Å; Y423-P425 WeakPolarHBondContact O-CD 3.45Å; P425-G427 PolarHBondContact O-N 3.31Å; P425-E428 PolarHBondContact O-N 2.83Å; P425-L431 HydrophobicContact CB-CB 4.14Å; P425-L431 HydrophobicContact CB-CD1 4.35Å; P425-L431 HydrophobicContact CG-CB 4.19Å; P425-L436 HydrophobicContact CG-CD1 4.07Å
426	I	76.7	Confident	82.4	Confident	37 Å²	37	35.7 Å²	35.7	19%	0.19	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	62.1	21.9	-176.4	-34	178.7	0	0	0	111.8	F389 L394 L399 M403 L404 N424 E428 L431	F389-I426 HydrophobicContact CE1-CD1 4.43Å; L394-I426 HydrophobicContact CD1-CD1 3.49Å; L394-I426 VanDerWaalsContact CD1-CD1 3.49Å; L394-I426 HydrophobicContact CD1-CG2 3.91Å; L399-I426 HydrophobicContact CD2-CD1 3.43Å; L399-I426 VanDerWaalsContact CD2-CD1 3.43Å; M403-I426 HydrophobicContact CG-CG2 4.13Å; M403-I426 WeakPolarHBondContact O-CA 3.3Å; M403-I426 WeakPolarHBondContact O-CG1 3.3Å; M403-I426 WeakPolarHBondContact O-CG2 3.37Å; L404-I426 HydrophobicContact CD2-CD1 4.43Å; L404-I426 HydrophobicContact CD2-CG1 4.02Å; L404-I426 PolarHBondContact O-N 3.01Å; N424-I426 PolarHBondContact O-N 3.47Å; I426-E428 PolarHBondContact O-N 2.8Å; I426-L431 HydrophobicContact CB-CD1 4.35Å; I426-L431 HydrophobicContact CD1-CD1 3.6Å; I426-L431 HydrophobicContact CG1-CD1 3.88Å
427	G	74.7	Confident	83.1	Confident	51 Å²	51	37.1 Å²	37.1	53%	0.526	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	72.5	-0.4	-171.5	0	0	0	0	0	114.6	N424 P425	N424-G427 WeakPolarHBondContact O-CA 3.37Å; N424-G427 PolarHBondContact O-N 3.03Å; P425-G427 PolarHBondContact O-N 3.31Å
428	E	76.2	Confident	83.8	Confident	55 Å²	55	34.4 Å²	34.4	26%	0.257	19%	0.187	S	C	.	.			trans	-97.7	113.1	-169.5	-87	-91.2	-170.4	0	0	112.4	M392 P425 I426 R430 L431 R432	M392-E428 HydrophobicContact CG-CG 4.28Å; M392-E428 HydrophobicContact SD-CB 3.91Å; M392-E428 HydrophobicContact SD-CG 3.57Å; M392-E428 VanDerWaalsContact SD-CG 3.57Å; P425-E428 PolarHBondContact O-N 2.83Å; I426-E428 PolarHBondContact O-N 2.8Å; E428-R430 PolarHBondContact O-N 2.89Å; E428-R430 IonicContact OE1-CZ 2.83Å; E428-R430 IonicContact OE1-NH2 3.19Å; E428-R430 PolarHBondContact OE1-NH2 2.82Å; E428-R430 IonicContact OE2-CZ 3.85Å; E428-R430 VanDerWaalsContact OE2-CZ 3.31Å; E428-R430 IonicContact OE2-NE 2.73Å; E428-R430 PolarHBondContact OE2-NE 2.75Å; E428-R430 IonicContact OE2-NH2 3.51Å; E428-R430 PolarHBondContact OE2-NH2 3.32Å; E428-L431 HydrophobicContact CB-CD1 4.49Å; E428-L431 HydrophobicContact CB-CG 4.36Å; E428-L431 PolarHBondContact O-N 3.08Å; E428-L431 VanDerWaalsContact O-N 3.08Å; E428-R432 PolarHBondContact O-N 2.98Å
429	S	81.4	Confident	84.5	Confident	68 Å²	68	34.8 Å²	34.8	48%	0.476	19%	0.192	S	C	.	.	H	α-helix	trans	-57.9	-33.4	178.9	57.8	0	0	0	0	112.7	L431 R432 E433	S429-L431 VanDerWaalsContact C-N 3.32Å; S429-L431 PolarHBondContact O-N 3.26Å; S429-R432 WeakPolarHBondContact O-CB 3.32Å; S429-R432 PolarHBondContact O-N 3.36Å; S429-E433 PolarHBondContact O-N 3.4Å
430	R	85.5	Confident	85.2	Confident	49 Å²	49	35 Å²	35	19%	0.185	19%	0.194	C	C	.	.	H	α-helix	trans	-60.8	-37.5	176.2	-64.6	178.2	-68.8	162.5	-2.9	112.5	S391 E428 E433 V434	S391-R430 PolarHBondContact OG-NH1 2.92Å; E428-R430 PolarHBondContact O-N 2.89Å; E428-R430 IonicContact OE1-CZ 2.83Å; E428-R430 IonicContact OE1-NH2 3.19Å; E428-R430 PolarHBondContact OE1-NH2 2.82Å; E428-R430 IonicContact OE2-CZ 3.85Å; E428-R430 VanDerWaalsContact OE2-CZ 3.31Å; E428-R430 IonicContact OE2-NE 2.73Å; E428-R430 PolarHBondContact OE2-NE 2.75Å; E428-R430 IonicContact OE2-NH2 3.51Å; E428-R430 PolarHBondContact OE2-NH2 3.32Å; R430-E433 PolarHBondContact O-N 2.95Å; R430-V434 VanDerWaalsContact O-CG2 3.3Å; R430-V434 WeakPolarHBondContact O-CG2 3.43Å; R430-V434 PolarHBondContact O-N 2.92Å
431	L	88	Confident	85.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-71.2	-37.1	176.1	-71.6	-176	0	0	0	111.8	V388 F389 M392 P425 I426 E428 S429 V434 F435	V388-L431 HydrophobicContact CG1-CD2 4.33Å; F389-L431 HydrophobicContact CE1-CD1 4.41Å; F389-L431 HydrophobicContact CE1-CD2 4.48Å; F389-L431 HydrophobicContact CE2-CD2 3.84Å; F389-L431 HydrophobicContact CZ-CD1 4.26Å; F389-L431 HydrophobicContact CZ-CD2 3.71Å; M392-L431 HydrophobicContact CE-CD1 3.92Å; M392-L431 HydrophobicContact CE-CD2 4.05Å; M392-L431 HydrophobicContact CE-CG 4.06Å; M392-L431 HydrophobicContact SD-CD1 4.14Å; M392-L431 HydrophobicContact SD-CG 4.24Å; P425-L431 HydrophobicContact CB-CB 4.14Å; P425-L431 HydrophobicContact CB-CD1 4.35Å; P425-L431 HydrophobicContact CG-CB 4.19Å; I426-L431 HydrophobicContact CB-CD1 4.35Å; I426-L431 HydrophobicContact CD1-CD1 3.6Å; I426-L431 HydrophobicContact CG1-CD1 3.88Å; E428-L431 HydrophobicContact CB-CD1 4.49Å; E428-L431 HydrophobicContact CB-CG 4.36Å; E428-L431 PolarHBondContact O-N 3.08Å; E428-L431 VanDerWaalsContact O-N 3.08Å; S429-L431 VanDerWaalsContact C-N 3.32Å; S429-L431 PolarHBondContact O-N 3.26Å; L431-V434 PolarHBondContact O-N 3.43Å; L431-F435 HydrophobicContact CD2-CD2 4.27Å; L431-F435 HydrophobicContact CD2-CE2 4.01Å; L431-F435 WeakPolarHBondContact O-CB 3.27Å; L431-F435 WeakPolarHBondContact O-CD2 3.46Å; L431-F435 PolarHBondContact O-N 3.27Å
432	R	89.1	Confident	86.5	Confident	52 Å²	52	35.7 Å²	35.7	20%	0.196	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-43.4	171.5	-178	-178.8	-175.5	173.3	8.1	111.4	Y423 N424 E428 S429 L436 K437	Y423-R432 VanDerWaalsContact CB-NH2 3.32Å; Y423-R432 VanDerWaalsContact O-CD 3.26Å; Y423-R432 WeakPolarHBondContact O-CD 3.28Å; Y423-R432 VanDerWaalsContact O-CG 3.3Å; Y423-R432 WeakPolarHBondContact O-CG 3.44Å; N424-R432 WeakPolarHBondContact OD1-CD 3.41Å; N424-R432 PolarHBondContact OD1-NH1 2.97Å; N424-R432 VanDerWaalsContact OD1-NH1 3.13Å; E428-R432 PolarHBondContact O-N 2.98Å; S429-R432 WeakPolarHBondContact O-CB 3.32Å; S429-R432 PolarHBondContact O-N 3.36Å; R432-L436 HydrophobicContact CG-CB 4.14Å; R432-L436 HydrophobicContact CG-CD1 4.38Å; R432-L436 CarbonylContact O-C 3.59Å; R432-L436 VanDerWaalsContact O-CA 3.3Å; R432-L436 WeakPolarHBondContact O-CA 3.38Å; R432-L436 WeakPolarHBondContact O-CB 3.34Å; R432-L436 PolarHBondContact O-N 3.19Å; R432-K437 PolarHBondContact O-N 2.81Å
433	E	89.3	Confident	87.1	Confident	71 Å²	71	40.5 Å²	40.5	33%	0.332	21%	0.213	S	C	.	.	H	α-helix	trans	-59.1	-50.9	176.7	-165.4	-164.2	155.4	0	0	110.9	S429 R430 K437 N440	S429-E433 PolarHBondContact O-N 3.4Å; R430-E433 PolarHBondContact O-N 2.95Å; E433-K437 WeakPolarHBondContact O-CB 3.37Å; E433-N440 HydrophobicContact CG-CB 4.02Å; E433-N440 WeakPolarHBondContact O-CB 3.45Å; E433-N440 PolarHBondContact O-ND2 3.44Å
434	V	92.6	Very high	88	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-66	-41.5	-177.5	171.1	0	0	0	0	113.1	V375 L385 R430 L431 N440 Y446	V375-V434 HydrophobicContact CB-CG1 3.96Å; V375-V434 HydrophobicContact CB-CG2 3.87Å; V375-V434 HydrophobicContact CG1-CG1 4.29Å; V375-V434 HydrophobicContact CG2-CG1 4.35Å; V375-V434 HydrophobicContact CG2-CG2 3.81Å; L385-V434 HydrophobicContact CD1-CG1 4.41Å; R430-V434 VanDerWaalsContact O-CG2 3.3Å; R430-V434 WeakPolarHBondContact O-CG2 3.43Å; R430-V434 PolarHBondContact O-N 2.92Å; L431-V434 PolarHBondContact O-N 3.43Å; V434-N440 PolarHBondContact O-ND2 3.29Å; V434-Y446 HydrophobicContact CG1-CD2 3.81Å; V434-Y446 HydrophobicContact CG1-CE2 4.1Å
435	F	95.2	Very high	89	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-103.2	-26.1	-170.5	-71.3	-73.1	0	0	0	115.5	F362 I363 T366 L385 F389 L431 Y446 F447	F362-F435 HydrophobicContact CD1-CD1 4.04Å; F362-F435 HydrophobicContact CD1-CE1 4.14Å; F362-F435 AromaticContact CE1-CD1 3.89Å; F362-F435 HydrophobicContact CE1-CD1 3.89Å; F362-F435 AromaticContact CE1-CE1 3.98Å; F362-F435 HydrophobicContact CE1-CE1 3.98Å; I363-F435 HydrophobicContact CB-CZ 4.44Å; I363-F435 HydrophobicContact CD1-CD2 4.39Å; I363-F435 HydrophobicContact CG1-CD1 4.22Å; I363-F435 HydrophobicContact CG1-CD2 4.1Å; I363-F435 HydrophobicContact CG1-CE1 4.12Å; I363-F435 HydrophobicContact CG1-CE2 4.01Å; I363-F435 HydrophobicContact CG1-CG 4.21Å; I363-F435 HydrophobicContact CG1-CZ 4.02Å; I363-F435 HydrophobicContact CG2-CE2 4.39Å; I363-F435 HydrophobicContact CG2-CZ 4.32Å; T366-F435 HydrophobicContact CG2-CE1 4.07Å; T366-F435 HydrophobicContact CG2-CZ 4.48Å; L385-F435 HydrophobicContact CD1-CE2 4.17Å; L385-F435 HydrophobicContact CD1-CZ 3.99Å; L385-F435 HydrophobicContact CD2-CZ 4.47Å; F389-F435 HydrophobicContact CE2-CE2 4.46Å; L431-F435 HydrophobicContact CD2-CD2 4.27Å; L431-F435 HydrophobicContact CD2-CE2 4.01Å; L431-F435 WeakPolarHBondContact O-CB 3.27Å; L431-F435 WeakPolarHBondContact O-CD2 3.46Å; L431-F435 PolarHBondContact O-N 3.27Å; F435-Y446 HydrophobicContact CD1-CD2 4.4Å; F435-Y446 HydrophobicContact CD1-CG 4.33Å; F435-Y446 HydrophobicContact CE1-CD2 4.22Å; F435-Y446 HydrophobicContact CE1-CG 4.29Å; F435-F447 WeakPolarHBondContact O-CA 3.45Å; F435-F447 WeakPolarHBondContact O-CB 3.21Å
436	L	94.5	Very high	90	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-126.9	16.3	-165.6	-51.5	178.6	0	0	0	113.7	M354 L359 P425 R432 I450 L696	M354-L436 HydrophobicContact CE-CD2 3.5Å; M354-L436 VanDerWaalsContact CE-CD2 3.5Å; L359-L436 HydrophobicContact CD1-CD2 4.15Å; L359-L436 HydrophobicContact CD2-CD1 4.44Å; P425-L436 HydrophobicContact CG-CD1 4.07Å; R432-L436 HydrophobicContact CG-CB 4.14Å; R432-L436 HydrophobicContact CG-CD1 4.38Å; R432-L436 CarbonylContact O-C 3.59Å; R432-L436 VanDerWaalsContact O-CA 3.3Å; R432-L436 WeakPolarHBondContact O-CA 3.38Å; R432-L436 WeakPolarHBondContact O-CB 3.34Å; R432-L436 PolarHBondContact O-N 3.19Å; L436-I450 HydrophobicContact CD2-CD1 4.36Å; L436-L696 HydrophobicContact CD1-CD2 4.45Å
437	K	93	Very high	91	Very high	56 Å²	56	39.6 Å²	39.6	24%	0.243	21%	0.206	C	C	.	.			trans	-120.1	148.3	173.3	-67.1	-65.6	-171.6	175.8	0	111.8	R432 E433 G444 F447 Y473	R432-K437 PolarHBondContact O-N 2.81Å; E433-K437 WeakPolarHBondContact O-CB 3.37Å; K437-G444 VanDerWaalsContact O-CA 3.29Å; K437-G444 WeakPolarHBondContact O-CA 3.21Å; K437-F447 WeakPolarHBondContact O-CB 3.49Å; K437-Y473 PolarHBondContact NZ-OH 3.33Å
438	T	93.8	Very high	92.1	Very high	29 Å²	29	37.2 Å²	37.2	18%	0.178	18%	0.182	C	C	.	.	S	Bend	trans	-80.8	-39.4	174.2	49.9	0	0	0	0	111.7	N443 G444 F447 L470 L483 W486	T438-N443 CarbonylContact O-C 3.57Å; T438-G444 VanDerWaalsContact O-CA 3.27Å; T438-G444 WeakPolarHBondContact O-CA 3.46Å; T438-G444 PolarHBondContact O-N 3.45Å; T438-G444 VanDerWaalsContact O-N 3.13Å; T438-F447 HydrophobicContact CG2-CD1 3.7Å; T438-F447 HydrophobicContact CG2-CE1 3.73Å; T438-L470 HydrophobicContact CG2-CD2 4.13Å; T438-L483 HydrophobicContact CG2-CD1 3.72Å; T438-W486 HydrophobicContact CG2-CD2 3.68Å; T438-W486 HydrophobicContact CG2-CE3 3.83Å; T438-W486 HydrophobicContact CG2-CG 4.24Å; T438-W486 HydrophobicContact CG2-CH2 4.06Å; T438-W486 HydrophobicContact CG2-CZ2 3.92Å; T438-W486 HydrophobicContact CG2-CZ3 4.02Å
439	D	92.9	Very high	93.1	Very high	78 Å²	78	38.3 Å²	38.3	42%	0.417	19%	0.187	S	C	.	.	S	Bend	trans	-101.9	110.6	174.1	-172.5	27.1	0	0	0	109.2	K482	D439-K482 HydrophobicContact CB-CD 4.48Å; D439-K482 IonicContact OD1-NZ 3.58Å; D439-K482 PolarHBondContact OD1-NZ 3.14Å; D439-K482 WeakPolarHBondContact OD2-CD 3.35Å; D439-K482 IonicContact OD2-NZ 2.77Å; D439-K482 PolarHBondContact OD2-NZ 3.41Å
440	N	93.5	Very high	93.9	Very high	13 Å²	13	35 Å²	35	7%	0.07	16%	0.164	C	C	.	.	S	Bend	trans	-159.9	179.1	176.1	70	19.7	0	0	0	109.5	E433 V434 L442 N443 G444	E433-N440 HydrophobicContact CG-CB 4.02Å; E433-N440 WeakPolarHBondContact O-CB 3.45Å; E433-N440 PolarHBondContact O-ND2 3.44Å; V434-N440 PolarHBondContact O-ND2 3.29Å; N440-L442 PolarHBondContact O-N 2.83Å; N440-L442 VanDerWaalsContact OD1-C 3.28Å; N440-L442 WeakPolarHBondContact OD1-CA 3.39Å; N440-L442 PolarHBondContact OD1-N 3.04Å; N440-N443 PolarHBondContact O-N 2.79Å; N440-N443 PolarHBondContact OD1-N 3.49Å; N440-N443 VanDerWaalsContact OD1-N 3.11Å; N440-G444 PolarHBondContact OD1-N 3.34Å
441	Y	93.6	Very high	94.5	Very high	96 Å²	96	32.8 Å²	32.8	38%	0.376	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-28	-179.7	-174.8	-94.8	0	0	0	115.1	V374 V375 V377 Q382	V374-Y441 HydrophobicContact CB-CE1 3.96Å; V374-Y441 HydrophobicContact CG1-CD1 4.24Å; V374-Y441 HydrophobicContact CG1-CE1 3.48Å; V374-Y441 VanDerWaalsContact CG1-CE1 3.48Å; V375-Y441 WeakPolarHBondContact O-CB 3.5Å; V377-Y441 HydrophobicContact CG2-CD2 3.77Å; V377-Y441 HydrophobicContact CG2-CE2 3.47Å; V377-Y441 VanDerWaalsContact CG2-CE2 3.47Å; Q382-Y441 PolarHBondContact NE2-OH 3.44Å
442	L	94.2	Very high	94.9	Very high	33 Å²	33	36.6 Å²	36.6	17%	0.173	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	19.4	177.5	-72.8	178.3	0	0	0	113.2	E373 V374 V375 N440 G444 K445 Y446	E373-L442 HydrophobicContact CG-CD1 4.36Å; E373-L442 HydrophobicContact CG-CD2 4.46Å; V374-L442 WeakPolarHBondContact O-CD2 3.44Å; V375-L442 HydrophobicContact CB-CD1 4.24Å; V375-L442 HydrophobicContact CG1-CD1 3.85Å; N440-L442 PolarHBondContact O-N 2.83Å; N440-L442 VanDerWaalsContact OD1-C 3.28Å; N440-L442 WeakPolarHBondContact OD1-CA 3.39Å; N440-L442 PolarHBondContact OD1-N 3.04Å; L442-G444 PolarHBondContact O-N 3.39Å; L442-K445 HydrophobicContact CB-CB 4.29Å; L442-K445 VanDerWaalsContact O-CB 3.3Å; L442-K445 WeakPolarHBondContact O-CB 3.4Å; L442-K445 PolarHBondContact O-N 2.84Å; L442-K445 VanDerWaalsContact O-N 3.16Å; L442-Y446 HydrophobicContact CD1-CD2 4.11Å; L442-Y446 HydrophobicContact CD1-CE2 3.51Å
443	N	94.9	Very high	95.3	Very high	113 Å²	113	35.9 Å²	35.9	60%	0.604	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.9	45.9	-177.3	-57.2	-49.4	0	0	0	112.2	T438 N440 K445	T438-N443 CarbonylContact O-C 3.57Å; N440-N443 PolarHBondContact O-N 2.79Å; N440-N443 PolarHBondContact OD1-N 3.49Å; N440-N443 VanDerWaalsContact OD1-N 3.11Å; N443-K445 PolarHBondContact O-N 3.12Å; N443-K445 VanDerWaalsContact O-N 3.11Å
444	G	95.7	Very high	95.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	16.2	174.5	0	0	0	0	0	116	K437 T438 N440 L442 Y446 F447 A448 W486	K437-G444 VanDerWaalsContact O-CA 3.29Å; K437-G444 WeakPolarHBondContact O-CA 3.21Å; T438-G444 VanDerWaalsContact O-CA 3.27Å; T438-G444 WeakPolarHBondContact O-CA 3.46Å; T438-G444 PolarHBondContact O-N 3.45Å; T438-G444 VanDerWaalsContact O-N 3.13Å; N440-G444 PolarHBondContact OD1-N 3.34Å; L442-G444 PolarHBondContact O-N 3.39Å; G444-Y446 VanDerWaalsContact C-N 3.34Å; G444-Y446 PolarHBondContact O-N 3.32Å; G444-F447 PolarHBondContact O-N 3.06Å; G444-F447 VanDerWaalsContact O-N 3.1Å; G444-A448 PolarHBondContact O-N 3.18Å; G444-W486 PolarHBondContact O-NE1 3.43Å; G444-W486 VanDerWaalsContact O-NE1 3.07Å
445	K	97	Very high	95.9	Very high	57 Å²	57	33.4 Å²	33.4	25%	0.248	16%	0.162	C	C	.	.	H	α-helix	trans	-46.9	-48.1	-178.9	172.7	-178.4	169.6	-172.7	0	114.1	E373 L442 N443 Q449	E373-K445 IonicContact OE1-NZ 2.63Å; E373-K445 PolarHBondContact OE1-NZ 3.31Å; E373-K445 IonicContact OE2-NZ 3.06Å; E373-K445 PolarHBondContact OE2-NZ 3.44Å; L442-K445 HydrophobicContact CB-CB 4.29Å; L442-K445 VanDerWaalsContact O-CB 3.3Å; L442-K445 WeakPolarHBondContact O-CB 3.4Å; L442-K445 PolarHBondContact O-N 2.84Å; L442-K445 VanDerWaalsContact O-N 3.16Å; N443-K445 PolarHBondContact O-N 3.12Å; N443-K445 VanDerWaalsContact O-N 3.11Å; K445-Q449 WeakPolarHBondContact O-CG 3.44Å; K445-Q449 PolarHBondContact O-N 2.92Å; K445-Q449 VanDerWaalsContact O-N 3.13Å
446	Y	97.2	Very high	96	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-72.5	-37.2	-179.1	-66.6	-45.3	0	0	0	112.7	F362 T366 N370 E373 V375 V434 F435 L442 G444 Q449 I450	F362-Y446 HydrophobicContact CE1-CD1 4.37Å; F362-Y446 HydrophobicContact CE1-CG 4.49Å; F362-Y446 HydrophobicContact CZ-CD1 4.37Å; T366-Y446 HydrophobicContact CG2-CD1 3.77Å; T366-Y446 HydrophobicContact CG2-CE1 3.27Å; T366-Y446 HydrophobicContact CG2-CE2 4.14Å; T366-Y446 HydrophobicContact CG2-CG 4.4Å; T366-Y446 VanDerWaalsContact CG2-CZ 3.47Å; N370-Y446 WeakPolarHBondContact CB-OH 3.31Å; E373-Y446 PolarHBondContact OE2-OH 3.12Å; V375-Y446 HydrophobicContact CG1-CE2 4.01Å; V434-Y446 HydrophobicContact CG1-CD2 3.81Å; V434-Y446 HydrophobicContact CG1-CE2 4.1Å; F435-Y446 HydrophobicContact CD1-CD2 4.4Å; F435-Y446 HydrophobicContact CD1-CG 4.33Å; F435-Y446 HydrophobicContact CE1-CD2 4.22Å; F435-Y446 HydrophobicContact CE1-CG 4.29Å; L442-Y446 HydrophobicContact CD1-CD2 4.11Å; L442-Y446 HydrophobicContact CD1-CE2 3.51Å; G444-Y446 VanDerWaalsContact C-N 3.34Å; G444-Y446 PolarHBondContact O-N 3.32Å; Y446-Q449 PolarHBondContact O-N 3.06Å; Y446-I450 WeakPolarHBondContact O-CG1 3.25Å; Y446-I450 PolarHBondContact O-N 3.49Å
447	F	97.6	Very high	96	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.018	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-42.3	175.3	-174.7	-130.9	0	0	0	111.1	A350 F435 K437 T438 G444 Q449 I450 I451 L470 W486	A350-F447 HydrophobicContact CB-CZ 4Å; A350-F447 WeakPolarHBondContact O-CE2 3.49Å; A350-F447 WeakPolarHBondContact O-CZ 3.28Å; F435-F447 WeakPolarHBondContact O-CA 3.45Å; F435-F447 WeakPolarHBondContact O-CB 3.21Å; K437-F447 WeakPolarHBondContact O-CB 3.49Å; T438-F447 HydrophobicContact CG2-CD1 3.7Å; T438-F447 HydrophobicContact CG2-CE1 3.73Å; G444-F447 PolarHBondContact O-N 3.06Å; G444-F447 VanDerWaalsContact O-N 3.1Å; F447-Q449 VanDerWaalsContact C-N 3.31Å; F447-Q449 PolarHBondContact O-N 2.88Å; F447-I450 WeakPolarHBondContact O-CB 3.35Å; F447-I450 PolarHBondContact O-N 3.47Å; F447-I450 VanDerWaalsContact O-N 3.17Å; F447-I451 HydrophobicContact CD2-CG1 4.39Å; F447-I451 HydrophobicContact CE1-CG1 4.45Å; F447-I451 HydrophobicContact CE2-CD1 3.98Å; F447-I451 HydrophobicContact CE2-CG1 4.07Å; F447-I451 HydrophobicContact CZ-CD1 3.94Å; F447-I451 HydrophobicContact CZ-CG1 4.1Å; F447-I451 WeakPolarHBondContact O-CG1 3.44Å; F447-I451 PolarHBondContact O-N 3.25Å; F447-L470 HydrophobicContact CE1-CD2 4.15Å; F447-W486 HydrophobicContact CD1-CH2 4.29Å; F447-W486 AromaticContact CD1-CZ2 3.61Å; F447-W486 HydrophobicContact CD1-CZ2 3.61Å; F447-W486 HydrophobicContact CE1-CH2 4.2Å; F447-W486 AromaticContact CE1-CZ2 3.98Å; F447-W486 HydrophobicContact CE1-CZ2 3.98Å; F447-W486 HydrophobicContact CG-CZ2 4.42Å
448	A	98	Very high	96.1	Very high	1 Å²	1	39 Å²	39	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-57.6	-41.2	172	0	0	0	0	0	112.7	G444 I451 K452 W486 N490 V492	G444-A448 PolarHBondContact O-N 3.18Å; A448-I451 PolarHBondContact O-N 2.85Å; A448-K452 WeakPolarHBondContact O-CG 3.18Å; A448-K452 PolarHBondContact O-N 3.04Å; A448-W486 HydrophobicContact CB-CZ2 4.14Å; A448-N490 HydrophobicContact CB-CB 3.47Å; A448-N490 VanDerWaalsContact CB-CB 3.47Å; A448-V492 HydrophobicContact CB-CG2 3.62Å
449	Q	97.7	Very high	96.2	Very high	77 Å²	77	41.7 Å²	41.7	36%	0.36	20%	0.199	S	C	.	.	H	α-helix	trans	-66	-37.7	175.9	-72.7	176	5.4	0	0	113	F362 K445 Y446 F447 K452 E453	F362-Q449 HydrophobicContact CE2-CB 3.81Å; F362-Q449 HydrophobicContact CZ-CB 3.73Å; K445-Q449 WeakPolarHBondContact O-CG 3.44Å; K445-Q449 PolarHBondContact O-N 2.92Å; K445-Q449 VanDerWaalsContact O-N 3.13Å; Y446-Q449 PolarHBondContact O-N 3.06Å; F447-Q449 VanDerWaalsContact C-N 3.31Å; F447-Q449 PolarHBondContact O-N 2.88Å; Q449-K452 PolarHBondContact O-N 3.02Å; Q449-E453 PolarHBondContact O-N 3.26Å
450	I	97.8	Very high	96.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-49.5	173.3	-71	167.4	0	0	0	110.1	M354 L359 F362 L436 Y446 F447 K452 E453 V454	M354-I450 HydrophobicContact CE-CD1 4.24Å; M354-I450 HydrophobicContact CE-CG2 3.67Å; M354-I450 HydrophobicContact CG-CG2 4.04Å; M354-I450 HydrophobicContact SD-CG2 3.52Å; M354-I450 VanDerWaalsContact SD-CG2 3.52Å; L359-I450 HydrophobicContact CD1-CD1 4.12Å; F362-I450 HydrophobicContact CB-CG1 4.45Å; F362-I450 HydrophobicContact CD1-CD1 3.74Å; F362-I450 HydrophobicContact CD1-CG1 3.63Å; F362-I450 HydrophobicContact CD2-CG1 3.74Å; F362-I450 HydrophobicContact CE1-CD1 3.93Å; F362-I450 HydrophobicContact CE1-CG1 3.73Å; F362-I450 HydrophobicContact CE2-CG1 3.83Å; F362-I450 HydrophobicContact CG-CD1 4.17Å; F362-I450 HydrophobicContact CG-CG1 3.65Å; F362-I450 HydrophobicContact CZ-CD1 4.5Å; F362-I450 HydrophobicContact CZ-CG1 3.83Å; L436-I450 HydrophobicContact CD2-CD1 4.36Å; Y446-I450 WeakPolarHBondContact O-CG1 3.25Å; Y446-I450 PolarHBondContact O-N 3.49Å; F447-I450 WeakPolarHBondContact O-CB 3.35Å; F447-I450 PolarHBondContact O-N 3.47Å; F447-I450 VanDerWaalsContact O-N 3.17Å; I450-K452 PolarHBondContact O-N 3.34Å; I450-E453 PolarHBondContact O-N 2.76Å; I450-V454 PolarHBondContact O-N 3.21Å
451	I	98	Very high	96.2	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-58.5	-36.5	176.9	-63.5	-66.8	0	0	0	111.1	A350 C353 F447 A448 V454 A455 L468 W486 V492 W499	A350-I451 HydrophobicContact CB-CD1 4.34Å; C353-I451 VanDerWaalsContact SG-CD1 3.59Å; F447-I451 HydrophobicContact CD2-CG1 4.39Å; F447-I451 HydrophobicContact CE1-CG1 4.45Å; F447-I451 HydrophobicContact CE2-CD1 3.98Å; F447-I451 HydrophobicContact CE2-CG1 4.07Å; F447-I451 HydrophobicContact CZ-CD1 3.94Å; F447-I451 HydrophobicContact CZ-CG1 4.1Å; F447-I451 WeakPolarHBondContact O-CG1 3.44Å; F447-I451 PolarHBondContact O-N 3.25Å; A448-I451 PolarHBondContact O-N 2.85Å; I451-V454 PolarHBondContact O-N 2.79Å; I451-A455 VanDerWaalsContact O-CB 3.29Å; I451-A455 WeakPolarHBondContact O-CB 3.36Å; I451-A455 PolarHBondContact O-N 3.31Å; I451-L468 HydrophobicContact CD1-CD1 4.12Å; I451-W486 HydrophobicContact CG1-CH2 4.44Å; I451-W486 HydrophobicContact CG1-CZ2 4.5Å; I451-V492 HydrophobicContact CB-CG1 4.05Å; I451-V492 HydrophobicContact CG2-CG1 3.41Å; I451-V492 VanDerWaalsContact CG2-CG1 3.41Å; I451-W499 HydrophobicContact CG2-CH2 3.93Å
452	K	97.8	Very high	96	Very high	79 Å²	79	45.6 Å²	45.6	34%	0.343	22%	0.219	S	C	.	.	H	α-helix	trans	-67	-37.4	173.2	-74.5	-169.4	-175	-152.6	0	113.9	A448 Q449 I450 V454 F456 N490 D491	A448-K452 WeakPolarHBondContact O-CG 3.18Å; A448-K452 PolarHBondContact O-N 3.04Å; Q449-K452 PolarHBondContact O-N 3.02Å; I450-K452 PolarHBondContact O-N 3.34Å; K452-V454 VanDerWaalsContact C-N 3.34Å; K452-F456 WeakPolarHBondContact O-CB 3.42Å; K452-F456 PolarHBondContact O-N 2.93Å; K452-N490 WeakPolarHBondContact CE-O 3.38Å; K452-N490 PolarHBondContact NZ-O 2.77Å; K452-D491 WeakPolarHBondContact CE-O 3.47Å; K452-D491 PolarHBondContact NZ-O 2.87Å; K452-D491 IonicContact NZ-OD2 2.99Å; K452-D491 PolarHBondContact NZ-OD2 2.86Å
453	E	97.5	Very high	96.1	Very high	37 Å²	37	46 Å²	46	17%	0.173	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-39	172.5	-70.4	-167.3	-179.1	0	0	111	H358 R361 K365 Q449 I450 D457	H358-E453 IonicContact CD2-OE2 3.37Å; H358-E453 IonicContact CE1-OE2 3.53Å; H358-E453 WeakPolarHBondContact NE2-CB 3.4Å; H358-E453 IonicContact NE2-OE2 2.9Å; H358-E453 PolarHBondContact NE2-OE2 3.44Å; R361-E453 IonicContact NH2-OE2 3.4Å; R361-E453 PolarHBondContact NH2-OE2 3.03Å; K365-E453 IonicContact NZ-OE1 2.68Å; K365-E453 PolarHBondContact NZ-OE1 3.1Å; Q449-E453 PolarHBondContact O-N 3.26Å; I450-E453 PolarHBondContact O-N 2.76Å; E453-D457 PolarHBondContact O-N 2.92Å; E453-D457 VanDerWaalsContact O-N 3.13Å
454	V	97.1	Very high	96.2	Very high	16 Å²	16	41.2 Å²	41.2	10%	0.097	19%	0.193	C	C	.	.	H	α-helix	trans	-67.8	-43.1	175.1	175.4	0	0	0	0	112.2	M354 I450 I451 K452 F456 D457 L458	M354-V454 HydrophobicContact CB-CG2 3.82Å; I450-V454 PolarHBondContact O-N 3.21Å; I451-V454 PolarHBondContact O-N 2.79Å; K452-V454 VanDerWaalsContact C-N 3.34Å; V454-F456 VanDerWaalsContact C-N 3.34Å; V454-F456 PolarHBondContact O-N 3.4Å; V454-D457 PolarHBondContact O-N 2.98Å; V454-L458 HydrophobicContact CG1-CD1 4.3Å; V454-L458 WeakPolarHBondContact O-CG 3.46Å; V454-L458 PolarHBondContact O-N 3.41Å
455	A	96.8	Very high	96.3	Very high	6 Å²	6	41.3 Å²	41.3	5%	0.05	19%	0.193	C	C	.	.	H	α-helix	trans	-58.2	-45.1	174.9	0	0	0	0	0	112	I451 D457 L458 E459 I497	I451-A455 VanDerWaalsContact O-CB 3.29Å; I451-A455 WeakPolarHBondContact O-CB 3.36Å; I451-A455 PolarHBondContact O-N 3.31Å; A455-D457 PolarHBondContact O-N 3.15Å; A455-L458 PolarHBondContact O-N 3.46Å; A455-E459 WeakPolarHBondContact O-CB 3.34Å; A455-E459 WeakPolarHBondContact O-CG 3.2Å; A455-E459 PolarHBondContact O-N 3.43Å; A455-I497 HydrophobicContact CB-CD1 3.82Å
456	F	96.7	Very high	96.4	Very high	128 Å²	128	38.7 Å²	38.7	56%	0.561	18%	0.182	S	C	*	.	H	α-helix	trans	-60.1	-44.7	175.6	178.9	-90.1	0	0	0	111.8	K452 V454 L458 E459 E460	K452-F456 WeakPolarHBondContact O-CB 3.42Å; K452-F456 PolarHBondContact O-N 2.93Å; V454-F456 VanDerWaalsContact C-N 3.34Å; V454-F456 PolarHBondContact O-N 3.4Å; F456-L458 VanDerWaalsContact C-N 3.34Å; F456-L458 PolarHBondContact O-N 3.44Å; F456-E459 PolarHBondContact O-N 3.45Å; F456-E460 WeakPolarHBondContact O-CB 3.24Å; F456-E460 PolarHBondContact O-N 3.37Å
457	D	95.5	Very high	96.5	Very high	25 Å²	25	38.6 Å²	38.6	13%	0.134	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-36.5	178.6	-73.9	-20.9	0	0	0	112.2	E453 V454 A455 S461 K702	E453-D457 PolarHBondContact O-N 2.92Å; E453-D457 VanDerWaalsContact O-N 3.13Å; V454-D457 PolarHBondContact O-N 2.98Å; A455-D457 PolarHBondContact O-N 3.15Å; D457-S461 VanDerWaalsContact O-CB 3.28Å; D457-S461 WeakPolarHBondContact O-CB 3.21Å; D457-S461 PolarHBondContact O-N 3.4Å; D457-S461 PolarHBondContact O-OG 3.42Å; D457-K702 WeakPolarHBondContact OD1-CE 3.35Å; D457-K702 IonicContact OD1-NZ 3.29Å; D457-K702 PolarHBondContact OD1-NZ 3.28Å; D457-K702 WeakPolarHBondContact OD2-CE 3.37Å; D457-K702 IonicContact OD2-NZ 3.43Å
458	L	95.9	Very high	96.5	Very high	24 Å²	24	38.4 Å²	38.4	13%	0.126	18%	0.181	C	C	.	.	H	α-helix	trans	-67.7	-40.4	172.9	-71.9	170.5	0	0	0	112.5	V454 A455 F456 S461 K462 Q464 A466 N496 I497	V454-L458 HydrophobicContact CG1-CD1 4.3Å; V454-L458 WeakPolarHBondContact O-CG 3.46Å; V454-L458 PolarHBondContact O-N 3.41Å; A455-L458 PolarHBondContact O-N 3.46Å; F456-L458 VanDerWaalsContact C-N 3.34Å; F456-L458 PolarHBondContact O-N 3.44Å; L458-S461 PolarHBondContact O-N 3Å; L458-K462 PolarHBondContact O-N 2.88Å; L458-K462 VanDerWaalsContact O-N 3.12Å; L458-Q464 HydrophobicContact CD2-CB 3.92Å; L458-A466 HydrophobicContact CD1-CB 3.9Å; L458-N496 HydrophobicContact CB-CB 4.28Å; L458-N496 PolarHBondContact O-ND2 2.85Å; L458-N496 VanDerWaalsContact O-ND2 3.13Å; L458-I497 HydrophobicContact CD1-CD1 4.15Å; L458-I497 HydrophobicContact CD1-CG1 3.9Å
459	E	94.9	Very high	96.5	Very high	85 Å²	85	38.5 Å²	38.5	40%	0.397	18%	0.181	S	C	.	.	H	α-helix	trans	-69	-40.9	178	-73.9	177.2	-175.3	0	0	112.1	A455 F456 K462 S494 S495	A455-E459 WeakPolarHBondContact O-CB 3.34Å; A455-E459 WeakPolarHBondContact O-CG 3.2Å; A455-E459 PolarHBondContact O-N 3.43Å; F456-E459 PolarHBondContact O-N 3.45Å; E459-K462 WeakPolarHBondContact O-CA 3.36Å; E459-K462 PolarHBondContact O-N 2.97Å; E459-K462 VanDerWaalsContact O-N 3.15Å; E459-S494 WeakPolarHBondContact OE1-CA 3.44Å; E459-S494 WeakPolarHBondContact OE1-CB 3.49Å; E459-S494 PolarHBondContact OE1-OG 3.48Å; E459-S495 PolarHBondContact OE1-N 3.03Å
460	E	94.2	Very high	96.5	Very high	125 Å²	125	35 Å²	35	58%	0.584	17%	0.165	S	C	*	.	H	α-helix	trans	-59.9	-47.5	171.5	-178.7	179.1	-142.5	0	0	111	F456 K462 K702	F456-E460 WeakPolarHBondContact O-CB 3.24Å; F456-E460 PolarHBondContact O-N 3.37Å; E460-K462 PolarHBondContact O-N 3.1Å; E460-K462 VanDerWaalsContact O-N 3.12Å; E460-K702 IonicContact OE2-NZ 3.72Å; E460-K702 PolarHBondContact OE2-NZ 2.9Å
461	S	91.5	Very high	96.5	Very high	34 Å²	34	36.3 Å²	36.3	24%	0.238	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-18.3	177.1	-59.4	0	0	0	0	113.2	D457 L458 Y463	D457-S461 VanDerWaalsContact O-CB 3.28Å; D457-S461 WeakPolarHBondContact O-CB 3.21Å; D457-S461 PolarHBondContact O-N 3.4Å; D457-S461 PolarHBondContact O-OG 3.42Å; L458-S461 PolarHBondContact O-N 3Å; S461-Y463 PolarHBondContact O-N 3.33Å
462	K	91.1	Very high	96.5	Very high	110 Å²	110	36.2 Å²	36.2	48%	0.478	17%	0.174	S	C	.	.	S	Bend	trans	61.4	-44.8	176.1	-178.2	178.7	176.7	-169.9	0	116.6	R342 L458 E459 E460	R342-K462 PolarHBondContact NH1-O 3.2Å; R342-K462 PolarHBondContact NH2-O 3.47Å; L458-K462 PolarHBondContact O-N 2.88Å; L458-K462 VanDerWaalsContact O-N 3.12Å; E459-K462 WeakPolarHBondContact O-CA 3.36Å; E459-K462 PolarHBondContact O-N 2.97Å; E459-K462 VanDerWaalsContact O-N 3.15Å; E460-K462 PolarHBondContact O-N 3.1Å; E460-K462 VanDerWaalsContact O-N 3.12Å
463	Y	96	Very high	96.3	Very high	41 Å²	41	35.1 Å²	35.1	16%	0.161	17%	0.168	C	C	.	.	S	Bend	trans	-99.1	-10.4	-170.2	-66.9	-82.3	0	0	0	114.1	Y339 N340 R342 K343 S461 N465	Y339-Y463 WeakPolarHBondContact O-CD2 3.22Å; N340-Y463 HydrophobicContact CB-CE1 4.32Å; N340-Y463 HydrophobicContact CB-CE2 4.47Å; N340-Y463 WeakPolarHBondContact ND2-CE2 3.31Å; N340-Y463 VanDerWaalsContact O-CD1 3.31Å; N340-Y463 WeakPolarHBondContact O-CD1 3.32Å; N340-Y463 WeakPolarHBondContact O-CE1 3.46Å; R342-Y463 HydrophobicContact CG-CD1 4.43Å; K343-Y463 PolarHBondContact N-O 3.39Å; K343-Y463 VanDerWaalsContact N-O 3.13Å; S461-Y463 PolarHBondContact O-N 3.33Å; Y463-N465 PolarHBondContact O-ND2 3.37Å
464	Q	96.7	Very high	96.2	Very high	14 Å²	14	33.3 Å²	33.3	7%	0.065	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	140.1	176.7	-64.3	173.6	67.8	0	0	110.1	L458 N496 E703	L458-Q464 HydrophobicContact CD2-CB 3.92Å; Q464-N496 PolarHBondContact O-ND2 2.77Å; Q464-E703 PolarHBondContact NE2-OE1 3.07Å
465	N	98.1	Very high	96	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	160.9	-176.4	-43.4	-95.8	0	0	0	107.5	R342 K343 V344 D345 Y463 N496 F736 W744	R342-N465 PolarHBondContact NH1-OD1 2.8Å; K343-N465 PolarHBondContact O-N 2.81Å; K343-N465 PolarHBondContact O-ND2 2.84Å; V344-N465 CarbonylContact C-O 3.42Å; V344-N465 WeakPolarHBondContact CA-O 3.33Å; V344-N465 HydrophobicContact CG2-CB 4.29Å; D345-N465 PolarHBondContact N-O 2.88Å; Y463-N465 PolarHBondContact O-ND2 3.37Å; N465-N496 CarbonylContact C-O 3.32Å; N465-N496 VanDerWaalsContact CA-O 3.27Å; N465-N496 WeakPolarHBondContact CA-O 3.2Å; N465-N496 HydrophobicContact CB-CB 4.4Å; N465-N496 WeakPolarHBondContact CB-O 3.42Å; N465-F736 HydrophobicContact CB-CE2 4.24Å; N465-F736 HydrophobicContact CB-CZ 3.93Å; N465-W744 HydrophobicContact CB-CH2 4.06Å; N465-W744 HydrophobicContact CB-CZ3 4.47Å; N465-W744 WeakPolarHBondContact OD1-CH2 3.45Å; N465-W744 WeakPolarHBondContact OD1-CZ2 3.35Å
466	A	98.4	Very high	95.9	Very high	2 Å²	2	37 Å²	37	2%	0.017	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	150.2	-174.4	0	0	0	0	0	113.9	D345 I348 L458 L468 N496 I497 R498	D345-A466 HydrophobicContact CB-CB 4.4Å; I348-A466 HydrophobicContact CG2-CB 4.27Å; L458-A466 HydrophobicContact CD1-CB 3.9Å; A466-L468 HydrophobicContact CB-CD2 4.19Å; A466-L468 HydrophobicContact CB-CG 4.29Å; A466-N496 PolarHBondContact N-O 3.39Å; A466-I497 WeakPolarHBondContact O-CA 3.49Å; A466-R498 PolarHBondContact O-N 2.91Å
467	E	98.6	Very high	95.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	75.1	173.9	-56	-167.5	128.8	0	0	109.7	V344 D345 T346 R469 R498 L500 I551 R614 S734 G735 F736	V344-E467 HydrophobicContact CG1-CG 3.67Å; D345-E467 PolarHBondContact O-N 3.3Å; T346-E467 WeakPolarHBondContact CA-OE2 3.49Å; E467-R469 PolarHBondContact O-NH1 3.23Å; E467-R498 CarbonylContact C-O 3.53Å; E467-R498 WeakPolarHBondContact CA-O 3.28Å; E467-L500 HydrophobicContact CB-CD1 3.83Å; E467-I551 HydrophobicContact CG-CD1 4.23Å; E467-I551 WeakPolarHBondContact OE1-CD1 3.39Å; E467-R614 IonicContact OE1-NH1 2.74Å; E467-R614 PolarHBondContact OE1-NH1 3.48Å; E467-R614 IonicContact OE2-CZ 3.61Å; E467-R614 IonicContact OE2-NH1 2.8Å; E467-R614 PolarHBondContact OE2-NH1 2.93Å; E467-R614 IonicContact OE2-NH2 3.59Å; E467-R614 PolarHBondContact OE2-NH2 3.17Å; E467-S734 WeakPolarHBondContact OE1-CA 3.37Å; E467-S734 WeakPolarHBondContact OE1-CB 3.06Å; E467-G735 PolarHBondContact OE1-N 2.66Å; E467-F736 HydrophobicContact CG-CE2 4.34Å
468	L	98.4	Very high	95.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	135.3	-173.3	-65.2	-176	0	0	0	111.2	I348 A350 C353 I451 A466 I497 R498 W499 L500	I348-L468 HydrophobicContact CB-CD2 4.38Å; I348-L468 HydrophobicContact CD1-CD2 3.76Å; I348-L468 HydrophobicContact CG1-CD2 3.77Å; I348-L468 HydrophobicContact CG2-CD2 3.83Å; A350-L468 HydrophobicContact CB-CB 4.17Å; C353-L468 HydrophobicContact CB-CD2 3.59Å; I451-L468 HydrophobicContact CD1-CD1 4.12Å; A466-L468 HydrophobicContact CB-CD2 4.19Å; A466-L468 HydrophobicContact CB-CG 4.29Å; L468-I497 HydrophobicContact CB-CG2 4.37Å; L468-I497 HydrophobicContact CD1-CD1 3.98Å; L468-I497 HydrophobicContact CD1-CG2 3.91Å; L468-I497 HydrophobicContact CG-CG2 4.05Å; L468-R498 PolarHBondContact N-O 3.2Å; L468-W499 HydrophobicContact CB-CE3 3.61Å; L468-W499 HydrophobicContact CB-CH2 4.3Å; L468-W499 HydrophobicContact CB-CZ3 3.37Å; L468-W499 HydrophobicContact CD1-CH2 3.8Å; L468-W499 HydrophobicContact CD1-CZ3 3.67Å; L468-W499 HydrophobicContact CG-CZ3 4.15Å; L468-W499 WeakPolarHBondContact O-CA 3.2Å; L468-L500 PolarHBondContact O-N 3.15Å
469	R	98.6	Very high	95.9	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.011	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.5	176.9	-69.9	149.9	173.6	74.9	-10.2	112.7	T346 H347 I348 A350 E467 L500 Q502 D554 S637	T346-R469 PolarHBondContact O-NH1 3.16Å; T346-R469 PolarHBondContact O-NH2 3Å; H347-R469 PolarHBondContact CD2-NE 2.84Å; H347-R469 PolarHBondContact CD2-NH2 3.13Å; I348-R469 PolarHBondContact O-N 3.05Å; A350-R469 WeakPolarHBondContact CB-O 3.4Å; A350-R469 PolarHBondContact N-O 3.36Å; E467-R469 PolarHBondContact O-NH1 3.23Å; R469-L500 WeakPolarHBondContact CA-O 3.43Å; R469-L500 HydrophobicContact CG-CB 3.79Å; R469-Q502 HydrophobicContact CB-CB 4.24Å; R469-Q502 HydrophobicContact CB-CG 4.25Å; R469-D554 WeakPolarHBondContact CD-OD2 3.33Å; R469-D554 IonicContact CZ-OD2 2.96Å; R469-D554 IonicContact NE-OD2 3.87Å; R469-D554 PolarHBondContact NE-OD2 3.23Å; R469-D554 IonicContact NH2-OD2 3.49Å; R469-S637 PolarHBondContact NH2-OG 3.39Å
470	L	97.7	Very high	96.1	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	137.8	173.8	-70.7	165.8	0	0	0	109.9	A350 T438 F447 L483 W486 W499 L500 I501 Q502 F546	A350-L470 HydrophobicContact CB-CD2 3.75Å; A350-L470 HydrophobicContact CB-CG 4.24Å; T438-L470 HydrophobicContact CG2-CD2 4.13Å; F447-L470 HydrophobicContact CE1-CD2 4.15Å; L470-L483 HydrophobicContact CB-CD1 4.4Å; L470-L483 HydrophobicContact CB-CD2 4.21Å; L470-L483 HydrophobicContact CD1-CD1 4.19Å; L470-L483 HydrophobicContact CD2-CD1 4.46Å; L470-W486 HydrophobicContact CD1-CZ3 3.93Å; L470-W486 HydrophobicContact CD2-CH2 4.14Å; L470-W486 HydrophobicContact CD2-CZ3 4.09Å; L470-W499 HydrophobicContact CD1-CD2 3.65Å; L470-W499 HydrophobicContact CD1-CE3 3.25Å; L470-W499 HydrophobicContact CD1-CG 4.27Å; L470-W499 HydrophobicContact CD1-CH2 4.19Å; L470-W499 HydrophobicContact CD1-CZ3 3.54Å; L470-W499 HydrophobicContact CD2-CE3 4.49Å; L470-W499 HydrophobicContact CD2-CZ3 4.12Å; L470-W499 HydrophobicContact CG-CD2 4.45Å; L470-W499 HydrophobicContact CG-CE3 3.58Å; L470-W499 HydrophobicContact CG-CZ3 3.69Å; L470-L500 PolarHBondContact N-O 3.47Å; L470-I501 HydrophobicContact CB-CD1 4.1Å; L470-I501 CarbonylContact O-C 3.53Å; L470-I501 WeakPolarHBondContact O-CA 3.35Å; L470-Q502 PolarHBondContact O-N 2.98Å; L470-F546 HydrophobicContact CD1-CE2 4.4Å; L470-F546 HydrophobicContact CD1-CZ 3.94Å
471	S	96.6	Very high	96.2	Very high	26 Å²	26	29.2 Å²	29.2	18%	0.182	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.4	-178.4	-75.5	0	0	0	0	113.2	Q502	S471-Q502 WeakPolarHBondContact CA-O 3.48Å; S471-Q502 WeakPolarHBondContact OG-CG 3.39Å; S471-Q502 PolarHBondContact OG-NE2 3.44Å
472	I	97.6	Very high	96.5	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.155	C	C	.	.			trans	-112.5	122.6	151.6	-66.6	-65.7	0	0	0	106	E479 W480 L483 I501 Q502 I503 P504 I526	I472-E479 HydrophobicContact CD1-CB 3.76Å; I472-E479 HydrophobicContact CG2-CB 4.47Å; I472-W480 HydrophobicContact CD1-CD2 4.13Å; I472-W480 HydrophobicContact CD1-CE3 4.45Å; I472-W480 HydrophobicContact CD1-CG 4.29Å; I472-W480 HydrophobicContact CG1-CD2 4.13Å; I472-W480 HydrophobicContact CG1-CE3 4.41Å; I472-W480 HydrophobicContact CG1-CZ2 4.16Å; I472-L483 HydrophobicContact CD1-CB 4.28Å; I472-L483 HydrophobicContact CD1-CD2 3.78Å; I472-L483 HydrophobicContact CG1-CD2 4.14Å; I472-I501 HydrophobicContact CB-CG2 3.8Å; I472-I501 HydrophobicContact CG1-CG2 3.53Å; I472-Q502 PolarHBondContact N-O 3.44Å; I472-Q502 VanDerWaalsContact N-O 3.08Å; I472-I503 WeakPolarHBondContact O-CA 3.43Å; I472-P504 WeakPolarHBondContact O-CD 3.3Å; I472-I526 HydrophobicContact CG2-CG1 4.26Å
473	Y	95.4	Very high	96.8	Very high	55 Å²	55	27 Å²	27	22%	0.216	13%	0.133	C	C	.	.			trans	-87.9	-24.1	-179.9	-64.4	-85.4	0	0	0	112.3	K437 E479 P504 F510	K437-Y473 PolarHBondContact NZ-OH 3.33Å; Y473-E479 WeakPolarHBondContact CA-OE2 3.27Å; Y473-E479 PolarHBondContact N-OE2 3.11Å; Y473-P504 HydrophobicContact CD1-CB 4.3Å; Y473-P504 HydrophobicContact CD1-CG 3.79Å; Y473-P504 HydrophobicContact CE1-CB 4.44Å; Y473-P504 HydrophobicContact CE1-CG 3.76Å; Y473-F510 HydrophobicContact CD1-CZ 4.28Å; Y473-F510 WeakPolarHBondContact O-CE2 3.46Å
474	G	95.4	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	76.3	27.8	-176.9	0	0	0	0	0	113.5	E479 N525	G474-E479 PolarHBondContact N-OE2 3.3Å; G474-N525 VanDerWaalsContact O-CB 3.3Å; G474-N525 WeakPolarHBondContact O-CB 3.5Å; G474-N525 PolarHBondContact O-ND2 2.85Å
475	K	92.8	Very high	96.9	Very high	64 Å²	64	28.2 Å²	28.2	28%	0.278	14%	0.139	S	C	.	.	S	Bend	trans	-84	-25.9	175.8	-56.5	165.8	172.1	-171.6	0	112.7	E479 F510 M515 N525	K475-E479 WeakPolarHBondContact CA-OE1 3.27Å; K475-E479 WeakPolarHBondContact CB-OE1 3.34Å; K475-E479 PolarHBondContact N-OE1 2.97Å; K475-F510 HydrophobicContact CD-CE1 4.36Å; K475-F510 HydrophobicContact CD-CZ 4.32Å; K475-F510 HydrophobicContact CG-CD1 4.49Å; K475-F510 HydrophobicContact CG-CD2 4.1Å; K475-F510 HydrophobicContact CG-CE1 4.31Å; K475-F510 HydrophobicContact CG-CE2 3.88Å; K475-F510 HydrophobicContact CG-CG 4.43Å; K475-F510 HydrophobicContact CG-CZ 4Å; K475-M515 HydrophobicContact CB-CE 4.14Å; K475-M515 HydrophobicContact CD-CE 3.97Å; K475-M515 HydrophobicContact CG-CE 4.18Å; K475-N525 PolarHBondContact O-ND2 2.86Å
476	S	95	Very high	96.9	Very high	36 Å²	36	28.4 Å²	28.4	25%	0.252	14%	0.14	S	C	.	.			trans	-148.4	147.2	178.1	169.7	0	0	0	0	109.8	D478 E479 N525	S476-D478 PolarHBondContact O-N 3.46Å; S476-D478 WeakPolarHBondContact OG-CB 3.3Å; S476-D478 PolarHBondContact OG-N 2.84Å; S476-D478 VanDerWaalsContact OG-N 3.1Å; S476-D478 PolarHBondContact OG-OD2 3.35Å; S476-E479 PolarHBondContact N-OE1 3.35Å; S476-E479 WeakPolarHBondContact O-CG 3.17Å; S476-E479 PolarHBondContact O-N 2.91Å; S476-N525 PolarHBondContact N-ND2 3.46Å
477	P	94.1	Very high	96.9	Very high	56 Å²	56	28.3 Å²	28.3	36%	0.364	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.1	171.6	30	-36.4	0	0	0	112.4	E479 N525 P529	P477-E479 PolarHBondContact O-N 3.42Å; P477-N525 VanDerWaalsContact CD-OD1 3.3Å; P477-N525 WeakPolarHBondContact CD-OD1 3.2Å; P477-P529 HydrophobicContact CB-CG 3.92Å
478	D	96.4	Very high	96.8	Very high	85 Å²	85	29.6 Å²	29.6	46%	0.455	15%	0.146	S	C	.	.	H	α-helix	trans	-68.8	-16.6	-179.5	-63.5	-38.1	0	0	0	113.8	S476 W480 Y481 K482	S476-D478 PolarHBondContact O-N 3.46Å; S476-D478 WeakPolarHBondContact OG-CB 3.3Å; S476-D478 PolarHBondContact OG-N 2.84Å; S476-D478 VanDerWaalsContact OG-N 3.1Å; S476-D478 PolarHBondContact OG-OD2 3.35Å; D478-W480 PolarHBondContact O-N 2.94Å; D478-Y481 PolarHBondContact O-N 3.31Å; D478-Y481 VanDerWaalsContact O-N 3.16Å; D478-K482 WeakPolarHBondContact O-CB 3.33Å; D478-K482 WeakPolarHBondContact O-CG 3.27Å; D478-K482 PolarHBondContact O-N 3.18Å
479	E	97.2	Very high	96.6	Very high	28 Å²	28	34.5 Å²	34.5	13%	0.131	17%	0.172	C	C	.	.	H	α-helix	trans	-56.9	-39.3	-178.4	-70.3	-178.7	-162.9	0	0	111.9	I472 Y473 G474 K475 S476 P477 L483	I472-E479 HydrophobicContact CD1-CB 3.76Å; I472-E479 HydrophobicContact CG2-CB 4.47Å; Y473-E479 WeakPolarHBondContact CA-OE2 3.27Å; Y473-E479 PolarHBondContact N-OE2 3.11Å; G474-E479 PolarHBondContact N-OE2 3.3Å; K475-E479 WeakPolarHBondContact CA-OE1 3.27Å; K475-E479 WeakPolarHBondContact CB-OE1 3.34Å; K475-E479 PolarHBondContact N-OE1 2.97Å; S476-E479 PolarHBondContact N-OE1 3.35Å; S476-E479 WeakPolarHBondContact O-CG 3.17Å; S476-E479 PolarHBondContact O-N 2.91Å; P477-E479 PolarHBondContact O-N 3.42Å; E479-L483 VanDerWaalsContact O-CB 3.23Å; E479-L483 WeakPolarHBondContact O-CB 3.49Å; E479-L483 PolarHBondContact O-N 3.45Å
480	W	97.9	Very high	96.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.1	-45.6	175.9	-81.2	109.4	0	0	0	113.1	I472 D478 L483 A484 I501 I526 P529 L530 L543 F546 L547 F553	I472-W480 HydrophobicContact CD1-CD2 4.13Å; I472-W480 HydrophobicContact CD1-CE3 4.45Å; I472-W480 HydrophobicContact CD1-CG 4.29Å; I472-W480 HydrophobicContact CG1-CD2 4.13Å; I472-W480 HydrophobicContact CG1-CE3 4.41Å; I472-W480 HydrophobicContact CG1-CZ2 4.16Å; D478-W480 PolarHBondContact O-N 2.94Å; W480-L483 PolarHBondContact O-N 2.85Å; W480-A484 WeakPolarHBondContact O-CB 3.49Å; W480-A484 PolarHBondContact O-N 3.31Å; W480-I501 HydrophobicContact CH2-CB 4.07Å; W480-I501 HydrophobicContact CH2-CD1 4.43Å; W480-I501 HydrophobicContact CH2-CG1 3.66Å; W480-I501 HydrophobicContact CH2-CG2 3.82Å; W480-I501 HydrophobicContact CZ2-CG2 4.04Å; W480-I501 HydrophobicContact CZ3-CD1 4.28Å; W480-I501 HydrophobicContact CZ3-CG1 3.93Å; W480-I526 PolarHBondContact NE1-O 2.9Å; W480-P529 HydrophobicContact CB-CB 4.2Å; W480-P529 HydrophobicContact CG-CB 4.28Å; W480-L530 HydrophobicContact CD2-CD2 3.88Å; W480-L530 HydrophobicContact CE3-CD2 3.99Å; W480-L530 HydrophobicContact CH2-CD1 4.13Å; W480-L530 HydrophobicContact CH2-CD2 3.81Å; W480-L530 HydrophobicContact CH2-CG 4.47Å; W480-L530 HydrophobicContact CZ2-CD1 3.66Å; W480-L530 HydrophobicContact CZ2-CD2 3.75Å; W480-L530 HydrophobicContact CZ2-CG 3.99Å; W480-L530 HydrophobicContact CZ3-CD2 3.95Å; W480-L543 HydrophobicContact CB-CD1 4.11Å; W480-L543 HydrophobicContact CB-CD2 4.05Å; W480-L543 HydrophobicContact CD2-CD1 4.31Å; W480-L543 HydrophobicContact CE3-CD1 3.68Å; W480-L543 HydrophobicContact CZ3-CD1 4.42Å; W480-F546 HydrophobicContact CZ3-CE1 4.47Å; W480-L547 HydrophobicContact CH2-CD2 4.36Å; W480-L547 HydrophobicContact CZ3-CD2 3.84Å; W480-F553 HydrophobicContact CH2-CE1 4.1Å; W480-F553 HydrophobicContact CZ2-CE1 4Å
481	Y	97.2	Very high	96.4	Very high	54 Å²	54	39.6 Å²	39.6	21%	0.212	20%	0.199	C	C	.	.	H	α-helix	trans	-65.9	-42.8	179.9	-57.5	-52.4	0	0	0	110.7	D478 K485 P529 E532 H540 L543	D478-Y481 PolarHBondContact O-N 3.31Å; D478-Y481 VanDerWaalsContact O-N 3.16Å; Y481-K485 WeakPolarHBondContact O-CB 3.43Å; Y481-K485 PolarHBondContact O-N 3.2Å; Y481-P529 HydrophobicContact CE2-CB 4.43Å; Y481-E532 PolarHBondContact OH-OE2 2.88Å; Y481-H540 HydrophobicContact CE1-CB 4.22Å; Y481-H540 AromaticContact CE1-ND1 3.26Å; Y481-H540 VanDerWaalsContact CE1-ND1 3.26Å; Y481-H540 WeakPolarHBondContact CE1-ND1 3.22Å; Y481-H540 AromaticContact CZ-CE1 3.92Å; Y481-H540 AromaticContact CZ-ND1 3.44Å; Y481-H540 PolarHBondContact OH-CE1 3.49Å; Y481-H540 PolarHBondContact OH-ND1 3.1Å; Y481-H540 VanDerWaalsContact OH-ND1 3.07Å; Y481-L543 HydrophobicContact CD1-CB 4.29Å; Y481-L543 HydrophobicContact CD1-CD2 4.03Å; Y481-L543 HydrophobicContact CE1-CB 4.38Å; Y481-L543 HydrophobicContact CE1-CD2 3.62Å
482	K	97.2	Very high	96.4	Very high	93 Å²	93	38.5 Å²	38.5	40%	0.404	19%	0.192	S	C	.	.	H	α-helix	trans	-60.3	-45.3	172.9	-72.3	176.7	167.9	-150.6	0	112.5	D439 D478 K485 W486	D439-K482 HydrophobicContact CB-CD 4.48Å; D439-K482 IonicContact OD1-NZ 3.58Å; D439-K482 PolarHBondContact OD1-NZ 3.14Å; D439-K482 WeakPolarHBondContact OD2-CD 3.35Å; D439-K482 IonicContact OD2-NZ 2.77Å; D439-K482 PolarHBondContact OD2-NZ 3.41Å; D478-K482 WeakPolarHBondContact O-CB 3.33Å; D478-K482 WeakPolarHBondContact O-CG 3.27Å; D478-K482 PolarHBondContact O-N 3.18Å; K482-K485 PolarHBondContact O-N 2.93Å; K482-W486 VanDerWaalsContact O-CB 3.31Å; K482-W486 WeakPolarHBondContact O-CB 3.48Å; K482-W486 PolarHBondContact O-N 3.21Å
483	L	97.8	Very high	96.3	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-45.1	-179.3	-174.7	63.9	0	0	0	112	T438 L470 I472 E479 W480 W486 A487 I501 F546	T438-L483 HydrophobicContact CG2-CD1 3.72Å; L470-L483 HydrophobicContact CB-CD1 4.4Å; L470-L483 HydrophobicContact CB-CD2 4.21Å; L470-L483 HydrophobicContact CD1-CD1 4.19Å; L470-L483 HydrophobicContact CD2-CD1 4.46Å; I472-L483 HydrophobicContact CD1-CB 4.28Å; I472-L483 HydrophobicContact CD1-CD2 3.78Å; I472-L483 HydrophobicContact CG1-CD2 4.14Å; E479-L483 VanDerWaalsContact O-CB 3.23Å; E479-L483 WeakPolarHBondContact O-CB 3.49Å; E479-L483 PolarHBondContact O-N 3.45Å; W480-L483 PolarHBondContact O-N 2.85Å; L483-W486 HydrophobicContact CD1-CE3 3.96Å; L483-W486 HydrophobicContact CD1-CZ3 4.36Å; L483-W486 WeakPolarHBondContact O-CB 3.46Å; L483-W486 PolarHBondContact O-N 2.71Å; L483-A487 PolarHBondContact O-N 3.2Å; L483-I501 HydrophobicContact CD2-CD1 3.85Å; L483-F546 HydrophobicContact CD2-CE1 3.9Å; L483-F546 HydrophobicContact CD2-CZ 4.13Å; L483-F546 HydrophobicContact CG-CE1 4.07Å; L483-F546 HydrophobicContact CG-CZ 4.15Å
484	A	97.8	Very high	96.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-41.3	176.9	0	0	0	0	0	111.8	W480 A487 I488 E542 L543 F546	W480-A484 WeakPolarHBondContact O-CB 3.49Å; W480-A484 PolarHBondContact O-N 3.31Å; A484-A487 PolarHBondContact O-N 3.04Å; A484-I488 WeakPolarHBondContact O-CG1 3.28Å; A484-I488 PolarHBondContact O-N 2.88Å; A484-I488 VanDerWaalsContact O-N 3.07Å; A484-E542 HydrophobicContact CB-CB 4.31Å; A484-L543 HydrophobicContact CB-CB 4.25Å; A484-L543 HydrophobicContact CB-CD1 4.15Å; A484-F546 HydrophobicContact CB-CB 3.68Å; A484-F546 HydrophobicContact CB-CD1 4.17Å; A484-F546 HydrophobicContact CB-CG 4.1Å
485	K	97.3	Very high	96.3	Very high	81 Å²	81	41.8 Å²	41.8	35%	0.352	21%	0.213	S	C	.	.	H	α-helix	trans	-63.7	-45	174.7	-175.2	155	-164.6	55.8	0	112.3	Y481 K482 A487 I488 D489 E542	Y481-K485 WeakPolarHBondContact O-CB 3.43Å; Y481-K485 PolarHBondContact O-N 3.2Å; K482-K485 PolarHBondContact O-N 2.93Å; K485-A487 VanDerWaalsContact C-N 3.29Å; K485-A487 PolarHBondContact O-N 3.45Å; K485-I488 PolarHBondContact O-N 2.87Å; K485-D489 WeakPolarHBondContact CE-OD2 3.29Å; K485-D489 VanDerWaalsContact CG-OD2 3.23Å; K485-D489 WeakPolarHBondContact CG-OD2 3.18Å; K485-D489 VanDerWaalsContact NZ-CG 3.26Å; K485-D489 IonicContact NZ-OD1 3.44Å; K485-D489 PolarHBondContact NZ-OD1 2.94Å; K485-D489 IonicContact NZ-OD2 2.98Å; K485-D489 PolarHBondContact NZ-OD2 3.21Å; K485-D489 VanDerWaalsContact O-CB 3.29Å; K485-D489 WeakPolarHBondContact O-CB 3.25Å; K485-D489 PolarHBondContact O-N 2.77Å; K485-E542 IonicContact NZ-OE1 3.49Å; K485-E542 PolarHBondContact NZ-OE1 2.74Å
486	W	97.8	Very high	96.5	Very high	6 Å²	6	39.3 Å²	39.3	2%	0.023	20%	0.203	C	C	.	.	H	α-helix	trans	-53.8	-46.4	173	165.2	82.9	0	0	0	111.7	T438 G444 F447 A448 I451 L470 K482 L483 N490 V492	T438-W486 HydrophobicContact CG2-CD2 3.68Å; T438-W486 HydrophobicContact CG2-CE3 3.83Å; T438-W486 HydrophobicContact CG2-CG 4.24Å; T438-W486 HydrophobicContact CG2-CH2 4.06Å; T438-W486 HydrophobicContact CG2-CZ2 3.92Å; T438-W486 HydrophobicContact CG2-CZ3 4.02Å; G444-W486 PolarHBondContact O-NE1 3.43Å; G444-W486 VanDerWaalsContact O-NE1 3.07Å; F447-W486 HydrophobicContact CD1-CH2 4.29Å; F447-W486 AromaticContact CD1-CZ2 3.61Å; F447-W486 HydrophobicContact CD1-CZ2 3.61Å; F447-W486 HydrophobicContact CE1-CH2 4.2Å; F447-W486 AromaticContact CE1-CZ2 3.98Å; F447-W486 HydrophobicContact CE1-CZ2 3.98Å; F447-W486 HydrophobicContact CG-CZ2 4.42Å; A448-W486 HydrophobicContact CB-CZ2 4.14Å; I451-W486 HydrophobicContact CG1-CH2 4.44Å; I451-W486 HydrophobicContact CG1-CZ2 4.5Å; L470-W486 HydrophobicContact CD1-CZ3 3.93Å; L470-W486 HydrophobicContact CD2-CH2 4.14Å; L470-W486 HydrophobicContact CD2-CZ3 4.09Å; K482-W486 VanDerWaalsContact O-CB 3.31Å; K482-W486 WeakPolarHBondContact O-CB 3.48Å; K482-W486 PolarHBondContact O-N 3.21Å; L483-W486 HydrophobicContact CD1-CE3 3.96Å; L483-W486 HydrophobicContact CD1-CZ3 4.36Å; L483-W486 WeakPolarHBondContact O-CB 3.46Å; L483-W486 PolarHBondContact O-N 2.71Å; W486-N490 WeakPolarHBondContact O-CB 3.48Å; W486-N490 PolarHBondContact O-N 3.29Å; W486-N490 PolarHBondContact O-ND2 3.06Å; W486-V492 HydrophobicContact CH2-CB 4.45Å; W486-V492 HydrophobicContact CH2-CG1 3.92Å; W486-V492 HydrophobicContact CH2-CG2 4.32Å; W486-V492 HydrophobicContact CZ2-CG1 4.38Å; W486-V492 HydrophobicContact CZ2-CG2 4.2Å; W486-V492 HydrophobicContact CZ3-CG1 4.38Å
487	A	97.3	Very high	96.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.3	-40	-179.5	0	0	0	0	0	112.4	W243 L483 A484 K485 D491 V492 F546	W243-A487 HydrophobicContact CH2-CB 4.2Å; L483-A487 PolarHBondContact O-N 3.2Å; A484-A487 PolarHBondContact O-N 3.04Å; K485-A487 VanDerWaalsContact C-N 3.29Å; K485-A487 PolarHBondContact O-N 3.45Å; A487-D491 CarbonylContact O-C 3.59Å; A487-D491 WeakPolarHBondContact O-CA 3.44Å; A487-D491 PolarHBondContact O-N 3.47Å; A487-V492 PolarHBondContact O-N 2.65Å; A487-F546 HydrophobicContact CB-CD2 3.6Å; A487-F546 HydrophobicContact CB-CE2 3.84Å
488	I	96.5	Very high	96.8	Very high	27 Å²	27	35.9 Å²	35.9	14%	0.138	18%	0.178	C	C	.	.	H	α-helix	trans	-84	-48.1	-175.3	-67.9	165.5	0	0	0	112.2	W243 A484 K485 N490 D491 E542 R545	W243-I488 HydrophobicContact CD2-CG1 3.89Å; W243-I488 HydrophobicContact CE3-CD1 4.41Å; W243-I488 HydrophobicContact CE3-CG1 3.75Å; W243-I488 HydrophobicContact CG-CG1 4.34Å; W243-I488 HydrophobicContact CZ3-CG1 4.12Å; A484-I488 WeakPolarHBondContact O-CG1 3.28Å; A484-I488 PolarHBondContact O-N 2.88Å; A484-I488 VanDerWaalsContact O-N 3.07Å; K485-I488 PolarHBondContact O-N 2.87Å; I488-N490 PolarHBondContact O-N 2.83Å; I488-D491 PolarHBondContact O-N 3.1Å; I488-E542 VanDerWaalsContact CD1-CA 3.5Å; I488-E542 HydrophobicContact CD1-CB 3.89Å; I488-E542 HydrophobicContact CD1-CG 4.25Å; I488-E542 WeakPolarHBondContact CD1-O 3.41Å; I488-R545 HydrophobicContact CD1-CB 3.7Å
489	D	96.1	Very high	96.9	Very high	102 Å²	102	32.2 Å²	32.2	55%	0.545	16%	0.157	S	C	.	.	H	α-helix	trans	-63.4	-31.9	-178.6	-73.4	0.3	0	0	0	111.6	K485	K485-D489 WeakPolarHBondContact CE-OD2 3.29Å; K485-D489 VanDerWaalsContact CG-OD2 3.23Å; K485-D489 WeakPolarHBondContact CG-OD2 3.18Å; K485-D489 VanDerWaalsContact NZ-CG 3.26Å; K485-D489 IonicContact NZ-OD1 3.44Å; K485-D489 PolarHBondContact NZ-OD1 2.94Å; K485-D489 IonicContact NZ-OD2 2.98Å; K485-D489 PolarHBondContact NZ-OD2 3.21Å; K485-D489 VanDerWaalsContact O-CB 3.29Å; K485-D489 WeakPolarHBondContact O-CB 3.25Å; K485-D489 PolarHBondContact O-N 2.77Å
490	N	96.2	Very high	96.9	Very high	41 Å²	41	30.9 Å²	30.9	22%	0.219	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.9	173.2	-62.2	-84.6	0	0	0	113.6	A448 K452 W486 I488 V492	A448-N490 HydrophobicContact CB-CB 3.47Å; A448-N490 VanDerWaalsContact CB-CB 3.47Å; K452-N490 WeakPolarHBondContact CE-O 3.38Å; K452-N490 PolarHBondContact NZ-O 2.77Å; W486-N490 WeakPolarHBondContact O-CB 3.48Å; W486-N490 PolarHBondContact O-N 3.29Å; W486-N490 PolarHBondContact O-ND2 3.06Å; I488-N490 PolarHBondContact O-N 2.83Å; N490-V492 HydrophobicContact CB-CG2 3.76Å
491	D	95.6	Very high	97	Very high	74 Å²	74	30.9 Å²	30.9	40%	0.396	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	52	-177.4	178	49.8	0	0	0	113.7	W243 K452 A487 I488 Y493	W243-D491 PolarHBondContact NE1-OD1 3.32Å; K452-D491 WeakPolarHBondContact CE-O 3.47Å; K452-D491 PolarHBondContact NZ-O 2.87Å; K452-D491 IonicContact NZ-OD2 2.99Å; K452-D491 PolarHBondContact NZ-OD2 2.86Å; A487-D491 CarbonylContact O-C 3.59Å; A487-D491 WeakPolarHBondContact O-CA 3.44Å; A487-D491 PolarHBondContact O-N 3.47Å; I488-D491 PolarHBondContact O-N 3.1Å; D491-Y493 VanDerWaalsContact C-N 3.29Å; D491-Y493 PolarHBondContact O-N 2.77Å
492	V	96.4	Very high	97	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.018	15%	0.145	C	C	.	.			trans	-83.6	70.1	-177	-165.8	0	0	0	0	110.5	A448 I451 W486 A487 N490 W499	A448-V492 HydrophobicContact CB-CG2 3.62Å; I451-V492 HydrophobicContact CB-CG1 4.05Å; I451-V492 HydrophobicContact CG2-CG1 3.41Å; I451-V492 VanDerWaalsContact CG2-CG1 3.41Å; W486-V492 HydrophobicContact CH2-CB 4.45Å; W486-V492 HydrophobicContact CH2-CG1 3.92Å; W486-V492 HydrophobicContact CH2-CG2 4.32Å; W486-V492 HydrophobicContact CZ2-CG1 4.38Å; W486-V492 HydrophobicContact CZ2-CG2 4.2Å; W486-V492 HydrophobicContact CZ3-CG1 4.38Å; A487-V492 PolarHBondContact O-N 2.65Å; N490-V492 HydrophobicContact CB-CG2 3.76Å; V492-W499 HydrophobicContact CG1-CH2 4.4Å; V492-W499 HydrophobicContact CG1-CZ2 4.13Å
493	Y	95.5	Very high	97	Very high	65 Å²	65	25 Å²	25	26%	0.255	13%	0.127	S	C	.	.			trans	-120.6	146.6	179.6	173	-97.3	0	0	0	112	P242 D491 Y549	P242-Y493 HydrophobicContact CB-CD1 3.74Å; P242-Y493 HydrophobicContact CB-CD2 3.55Å; P242-Y493 HydrophobicContact CB-CE1 3.78Å; P242-Y493 HydrophobicContact CB-CE2 3.61Å; P242-Y493 HydrophobicContact CB-CG 3.61Å; P242-Y493 HydrophobicContact CG-CD1 3.57Å; P242-Y493 HydrophobicContact CG-CD2 3.97Å; P242-Y493 HydrophobicContact CG-CE1 4.06Å; P242-Y493 HydrophobicContact CG-CE2 4.43Å; P242-Y493 HydrophobicContact CG-CG 3.5Å; P242-Y493 VanDerWaalsContact CG-CG 3.5Å; D491-Y493 VanDerWaalsContact C-N 3.29Å; D491-Y493 PolarHBondContact O-N 2.77Å; Y493-Y549 HydrophobicContact CD2-CE1 4.12Å; Y493-Y549 HydrophobicContact CD2-CE2 4.29Å; Y493-Y549 AromaticContact CD2-CZ 3.97Å; Y493-Y549 HydrophobicContact CE2-CD1 4.2Å; Y493-Y549 AromaticContact CE2-CE1 3.55Å; Y493-Y549 HydrophobicContact CE2-CE1 3.55Å; Y493-Y549 HydrophobicContact CE2-CE2 4.42Å; Y493-Y549 AromaticContact CE2-CZ 3.65Å
494	S	95.4	Very high	97	Very high	4 Å²	4	25.4 Å²	25.4	3%	0.028	13%	0.13	C	C	.	.			trans	-149.1	147.4	162.8	175	0	0	0	0	109.9	E459 N496 I497	E459-S494 WeakPolarHBondContact OE1-CA 3.44Å; E459-S494 WeakPolarHBondContact OE1-CB 3.49Å; E459-S494 PolarHBondContact OE1-OG 3.48Å; S494-N496 PolarHBondContact O-N 3.38Å; S494-N496 PolarHBondContact OG-N 2.94Å; S494-N496 VanDerWaalsContact OG-N 3.09Å; S494-I497 PolarHBondContact O-N 2.99Å
495	S	94.2	Very high	96.9	Very high	55 Å²	55	26 Å²	26	39%	0.385	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.9	171	63.8	0	0	0	0	112.6	E459 R498	E459-S495 PolarHBondContact OE1-N 3.03Å; S495-R498 PolarHBondContact O-NH1 3.22Å; S495-R498 VanDerWaalsContact O-NH1 3.14Å
496	N	96.9	Very high	96.7	Very high	13 Å²	13	23.5 Å²	23.5	7%	0.07	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	2.6	-175	-68.6	27.1	0	0	0	114	L458 Q464 N465 A466 S494 F736	L458-N496 HydrophobicContact CB-CB 4.28Å; L458-N496 PolarHBondContact O-ND2 2.85Å; L458-N496 VanDerWaalsContact O-ND2 3.13Å; Q464-N496 PolarHBondContact O-ND2 2.77Å; N465-N496 CarbonylContact C-O 3.32Å; N465-N496 VanDerWaalsContact CA-O 3.27Å; N465-N496 WeakPolarHBondContact CA-O 3.2Å; N465-N496 HydrophobicContact CB-CB 4.4Å; N465-N496 WeakPolarHBondContact CB-O 3.42Å; A466-N496 PolarHBondContact N-O 3.39Å; S494-N496 PolarHBondContact O-N 3.38Å; S494-N496 PolarHBondContact OG-N 2.94Å; S494-N496 VanDerWaalsContact OG-N 3.09Å; N496-F736 WeakPolarHBondContact O-CZ 3.47Å
497	I	97.9	Very high	96.5	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.026	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.6	-179.1	-63.4	174.5	0	0	0	110.8	A455 L458 A466 L468 S494 W499	A455-I497 HydrophobicContact CB-CD1 3.82Å; L458-I497 HydrophobicContact CD1-CD1 4.15Å; L458-I497 HydrophobicContact CD1-CG1 3.9Å; A466-I497 WeakPolarHBondContact O-CA 3.49Å; L468-I497 HydrophobicContact CB-CG2 4.37Å; L468-I497 HydrophobicContact CD1-CD1 3.98Å; L468-I497 HydrophobicContact CD1-CG2 3.91Å; L468-I497 HydrophobicContact CG-CG2 4.05Å; S494-I497 PolarHBondContact O-N 2.99Å; I497-W499 HydrophobicContact CG2-CD2 4.3Å; I497-W499 HydrophobicContact CG2-CE3 4.48Å; I497-W499 HydrophobicContact CG2-CH2 4.13Å; I497-W499 HydrophobicContact CG2-CZ2 3.91Å; I497-W499 HydrophobicContact CG2-CZ3 4.42Å
498	R	97.8	Very high	96.3	Very high	15 Å²	15	25.2 Å²	25.2	6%	0.057	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	162.1	162.4	-68	-61.1	178.9	-75.1	-3.6	110.2	A466 E467 L468 S495 I551 F736	A466-R498 PolarHBondContact O-N 2.91Å; E467-R498 CarbonylContact C-O 3.53Å; E467-R498 WeakPolarHBondContact CA-O 3.28Å; L468-R498 PolarHBondContact N-O 3.2Å; S495-R498 PolarHBondContact O-NH1 3.22Å; S495-R498 VanDerWaalsContact O-NH1 3.14Å; R498-I551 HydrophobicContact CB-CD1 4.01Å; R498-I551 HydrophobicContact CB-CG1 4.24Å; R498-I551 HydrophobicContact CB-CG2 3.95Å; R498-I551 HydrophobicContact CG-CG2 4.14Å; R498-F736 HydrophobicContact CB-CE2 4.46Å; R498-F736 HydrophobicContact CB-CZ 4.45Å; R498-F736 HydrophobicContact CG-CD1 4.09Å; R498-F736 HydrophobicContact CG-CD2 4.31Å; R498-F736 HydrophobicContact CG-CE1 3.89Å; R498-F736 HydrophobicContact CG-CE2 4.1Å; R498-F736 HydrophobicContact CG-CG 4.3Å; R498-F736 HydrophobicContact CG-CZ 3.88Å
499	W	98.4	Very high	96	Very high	8 Å²	8	26.7 Å²	26.7	3%	0.03	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.2	-171.7	-56.9	109.4	0	0	0	112.3	A350 I451 L468 L470 V492 I497 F546 Y549 V550 I551	A350-W499 HydrophobicContact CB-CZ3 4.29Å; I451-W499 HydrophobicContact CG2-CH2 3.93Å; L468-W499 HydrophobicContact CB-CE3 3.61Å; L468-W499 HydrophobicContact CB-CH2 4.3Å; L468-W499 HydrophobicContact CB-CZ3 3.37Å; L468-W499 HydrophobicContact CD1-CH2 3.8Å; L468-W499 HydrophobicContact CD1-CZ3 3.67Å; L468-W499 HydrophobicContact CG-CZ3 4.15Å; L468-W499 WeakPolarHBondContact O-CA 3.2Å; L470-W499 HydrophobicContact CD1-CD2 3.65Å; L470-W499 HydrophobicContact CD1-CE3 3.25Å; L470-W499 HydrophobicContact CD1-CG 4.27Å; L470-W499 HydrophobicContact CD1-CH2 4.19Å; L470-W499 HydrophobicContact CD1-CZ3 3.54Å; L470-W499 HydrophobicContact CD2-CE3 4.49Å; L470-W499 HydrophobicContact CD2-CZ3 4.12Å; L470-W499 HydrophobicContact CG-CD2 4.45Å; L470-W499 HydrophobicContact CG-CE3 3.58Å; L470-W499 HydrophobicContact CG-CZ3 3.69Å; V492-W499 HydrophobicContact CG1-CH2 4.4Å; V492-W499 HydrophobicContact CG1-CZ2 4.13Å; I497-W499 HydrophobicContact CG2-CD2 4.3Å; I497-W499 HydrophobicContact CG2-CE3 4.48Å; I497-W499 HydrophobicContact CG2-CH2 4.13Å; I497-W499 HydrophobicContact CG2-CZ2 3.91Å; I497-W499 HydrophobicContact CG2-CZ3 4.42Å; W499-F546 AromaticContact CD1-CE2 3.93Å; W499-F546 HydrophobicContact CG-CE2 4.32Å; W499-F546 HydrophobicContact CG-CZ 4.44Å; W499-Y549 PolarHBondContact N-O 3.01Å; W499-V550 HydrophobicContact CB-CG2 4.23Å; W499-V550 CarbonylContact O-C 3.5Å; W499-V550 WeakPolarHBondContact O-CA 3.35Å; W499-I551 VanDerWaalsContact O-CG1 3.28Å; W499-I551 WeakPolarHBondContact O-CG1 3.47Å; W499-I551 PolarHBondContact O-N 3.47Å
500	L	98.4	Very high	95.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	147.1	157.1	-81.9	81.5	0	0	0	108.9	E467 L468 R469 L470 I551 G552 D554 R614	E467-L500 HydrophobicContact CB-CD1 3.83Å; L468-L500 PolarHBondContact O-N 3.15Å; R469-L500 WeakPolarHBondContact CA-O 3.43Å; R469-L500 HydrophobicContact CG-CB 3.79Å; L470-L500 PolarHBondContact N-O 3.47Å; L500-I551 HydrophobicContact CD1-CD1 3.54Å; L500-I551 HydrophobicContact CD1-CG1 3.69Å; L500-I551 HydrophobicContact CG-CG1 4.27Å; L500-G552 WeakPolarHBondContact CA-O 3.35Å; L500-D554 HydrophobicContact CD2-CB 4.3Å; L500-R614 HydrophobicContact CD2-CB 3.9Å
501	I	98.6	Very high	95.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	110.3	173.9	-59.4	-59.3	0	0	0	108.6	L470 I472 W480 L483 F546 V550 G552 F553 D554	L470-I501 HydrophobicContact CB-CD1 4.1Å; L470-I501 CarbonylContact O-C 3.53Å; L470-I501 WeakPolarHBondContact O-CA 3.35Å; I472-I501 HydrophobicContact CB-CG2 3.8Å; I472-I501 HydrophobicContact CG1-CG2 3.53Å; W480-I501 HydrophobicContact CH2-CB 4.07Å; W480-I501 HydrophobicContact CH2-CD1 4.43Å; W480-I501 HydrophobicContact CH2-CG1 3.66Å; W480-I501 HydrophobicContact CH2-CG2 3.82Å; W480-I501 HydrophobicContact CZ2-CG2 4.04Å; W480-I501 HydrophobicContact CZ3-CD1 4.28Å; W480-I501 HydrophobicContact CZ3-CG1 3.93Å; L483-I501 HydrophobicContact CD2-CD1 3.85Å; I501-F546 HydrophobicContact CD1-CE1 4.16Å; I501-F546 HydrophobicContact CD1-CZ 4.32Å; I501-V550 HydrophobicContact CD1-CG2 4.31Å; I501-V550 HydrophobicContact CG1-CG1 3.76Å; I501-V550 HydrophobicContact CG1-CG2 4.21Å; I501-G552 PolarHBondContact N-O 3.46Å; I501-F553 HydrophobicContact CB-CD1 4.17Å; I501-F553 HydrophobicContact CB-CE1 4.35Å; I501-F553 HydrophobicContact CG2-CD1 4.45Å; I501-F553 WeakPolarHBondContact O-CA 3.27Å; I501-D554 PolarHBondContact O-N 3.24Å
502	Q	97.9	Very high	95.5	Very high	19 Å²	19	21.9 Å²	21.9	9%	0.089	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.2	179.8	71.4	-176.5	18.8	0	0	110.8	H349 R469 L470 S471 I472 D554 V556	H349-Q502 PolarHBondContact CE1-OE1 3.13Å; H349-Q502 VanDerWaalsContact CE1-OE1 3.24Å; H349-Q502 PolarHBondContact ND1-OE1 2.99Å; R469-Q502 HydrophobicContact CB-CB 4.24Å; R469-Q502 HydrophobicContact CB-CG 4.25Å; L470-Q502 PolarHBondContact O-N 2.98Å; S471-Q502 WeakPolarHBondContact CA-O 3.48Å; S471-Q502 WeakPolarHBondContact OG-CG 3.39Å; S471-Q502 PolarHBondContact OG-NE2 3.44Å; I472-Q502 PolarHBondContact N-O 3.44Å; I472-Q502 VanDerWaalsContact N-O 3.08Å; Q502-D554 CarbonylContact C-O 3.55Å; Q502-D554 WeakPolarHBondContact CA-O 3.47Å; Q502-D554 HydrophobicContact CB-CB 4.1Å; Q502-V556 HydrophobicContact CB-CG1 3.9Å; Q502-V556 HydrophobicContact CB-CG2 4.21Å; Q502-V556 HydrophobicContact CG-CG2 4.31Å
503	I	98.1	Very high	95.3	Very high	4 Å²	4	26 Å²	26	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	105.5	-177.9	-66.8	157.8	0	0	0	108.3	I472 I526 F553 D554 S555 V556 M592	I472-I503 WeakPolarHBondContact O-CA 3.43Å; I503-I526 HydrophobicContact CB-CD1 4.5Å; I503-I526 HydrophobicContact CD1-CD1 4.11Å; I503-I526 HydrophobicContact CD1-CG2 3.76Å; I503-I526 HydrophobicContact CG1-CD1 4.13Å; I503-I526 HydrophobicContact CG2-CD1 3.54Å; I503-F553 HydrophobicContact CD1-CD1 3.88Å; I503-D554 PolarHBondContact N-O 2.93Å; I503-S555 WeakPolarHBondContact O-CA 3.1Å; I503-V556 PolarHBondContact O-N 2.84Å; I503-V556 VanDerWaalsContact O-N 3.13Å; I503-M592 HydrophobicContact CB-CE 3.79Å; I503-M592 HydrophobicContact CD1-CE 3.64Å; I503-M592 HydrophobicContact CD1-SD 4.07Å; I503-M592 HydrophobicContact CG1-CE 4.32Å; I503-M592 HydrophobicContact CG2-CE 3.96Å
504	P	96.4	Very high	95.1	Very high	12 Å²	12	31.8 Å²	31.8	8%	0.078	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	133.6	177.8	-24.5	37.7	0	0	0	113.2	I472 Y473 L506 V556	I472-P504 WeakPolarHBondContact O-CD 3.3Å; Y473-P504 HydrophobicContact CD1-CB 4.3Å; Y473-P504 HydrophobicContact CD1-CG 3.79Å; Y473-P504 HydrophobicContact CE1-CB 4.44Å; Y473-P504 HydrophobicContact CE1-CG 3.76Å; P504-L506 VanDerWaalsContact C-N 3.26Å; P504-L506 HydrophobicContact CB-CD1 3.6Å; P504-L506 HydrophobicContact CB-CG 3.69Å; P504-L506 PolarHBondContact O-N 3.07Å; P504-V556 CarbonylContact C-O 3.54Å; P504-V556 VanDerWaalsContact CA-O 3.22Å; P504-V556 WeakPolarHBondContact CA-O 3.43Å; P504-V556 HydrophobicContact CB-CG2 4.09Å; P504-V556 HydrophobicContact CG-CG2 3.83Å
505	R	95.5	Very high	94.9	Very high	12 Å²	12	36.5 Å²	36.5	5%	0.045	19%	0.188	C	C	.	.			trans	-78.3	62.6	-179.2	-62.2	-179	-72.9	-93.2	3.9	113	S555 V556 D557 N582 Y588	R505-S555 WeakPolarHBondContact CG-OG 3.42Å; R505-S555 PolarHBondContact NH1-O 2.89Å; R505-S555 PolarHBondContact NH1-OG 3.1Å; R505-V556 PolarHBondContact N-O 3.35Å; R505-D557 HydrophobicContact CB-CB 4Å; R505-D557 PolarHBondContact NH2-O 2.87Å; R505-N582 PolarHBondContact O-ND2 3.2Å; R505-Y588 VanDerWaalsContact C-OH 3.26Å; R505-Y588 HydrophobicContact CB-CD1 4.35Å; R505-Y588 HydrophobicContact CB-CD2 4.29Å; R505-Y588 HydrophobicContact CB-CE1 4Å; R505-Y588 HydrophobicContact CB-CE2 3.94Å; R505-Y588 HydrophobicContact CB-CG 4.48Å; R505-Y588 HydrophobicContact CG-CD1 3.87Å; R505-Y588 HydrophobicContact CG-CD2 4.06Å; R505-Y588 HydrophobicContact CG-CE1 4.03Å; R505-Y588 HydrophobicContact CG-CE2 4.21Å; R505-Y588 HydrophobicContact CG-CG 3.87Å
506	L	93.8	Very high	94.7	Very high	29 Å²	29	34.4 Å²	34.4	15%	0.152	17%	0.173	C	C	.	.			trans	-117.5	29.8	-167.7	-52	177.1	0	0	0	114.5	P504 D508 I509 F510 D557 Y588	P504-L506 VanDerWaalsContact C-N 3.26Å; P504-L506 HydrophobicContact CB-CD1 3.6Å; P504-L506 HydrophobicContact CB-CG 3.69Å; P504-L506 PolarHBondContact O-N 3.07Å; L506-D508 VanDerWaalsContact C-N 3.32Å; L506-D508 VanDerWaalsContact C-OD1 3.3Å; L506-D508 PolarHBondContact O-N 3.42Å; L506-I509 HydrophobicContact CB-CB 4.45Å; L506-I509 HydrophobicContact CB-CD1 4.35Å; L506-I509 HydrophobicContact CD2-CD1 3.97Å; L506-I509 PolarHBondContact O-N 3.49Å; L506-F510 HydrophobicContact CB-CE1 3.94Å; L506-F510 HydrophobicContact CB-CE2 4.23Å; L506-F510 HydrophobicContact CB-CZ 3.71Å; L506-F510 HydrophobicContact CD1-CE1 4.5Å; L506-F510 HydrophobicContact CD1-CZ 4.29Å; L506-F510 WeakPolarHBondContact O-CG 3.44Å; L506-F510 PolarHBondContact O-N 2.86Å; L506-D557 HydrophobicContact CD2-CB 4.45Å; L506-Y588 PolarHBondContact N-OH 2.93Å
507	F	94.2	Very high	94.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.7	-44.3	179.7	168.2	-97	0	0	0	112.6	I509 F510 K511 M516 F519 I522 W577 Y579 P583 Y588	F507-I509 VanDerWaalsContact C-N 3.31Å; F507-I509 PolarHBondContact O-N 2.9Å; F507-F510 PolarHBondContact O-N 3.09Å; F507-F510 VanDerWaalsContact O-N 3.12Å; F507-K511 HydrophobicContact CD1-CB 4.4Å; F507-K511 HydrophobicContact CE1-CB 4.08Å; F507-K511 HydrophobicContact CE1-CG 4.13Å; F507-K511 HydrophobicContact CE2-CB 4.41Å; F507-K511 HydrophobicContact CZ-CB 4.1Å; F507-K511 HydrophobicContact CZ-CD 4.11Å; F507-K511 HydrophobicContact CZ-CG 4.09Å; F507-K511 WeakPolarHBondContact O-CB 3.39Å; F507-K511 PolarHBondContact O-N 3.26Å; F507-M516 HydrophobicContact CD2-CE 3.52Å; F507-M516 HydrophobicContact CD2-SD 4.05Å; F507-M516 HydrophobicContact CE2-CE 3.63Å; F507-M516 HydrophobicContact CE2-SD 4.46Å; F507-F519 HydrophobicContact CB-CD2 4.07Å; F507-F519 HydrophobicContact CB-CE2 4.3Å; F507-F519 HydrophobicContact CD2-CB 4.36Å; F507-F519 AromaticContact CD2-CD2 3.82Å; F507-F519 HydrophobicContact CD2-CD2 3.82Å; F507-F519 HydrophobicContact CE2-CB 4.19Å; F507-F519 HydrophobicContact CE2-CD2 4.48Å; F507-F519 AromaticContact CG-CD2 3.96Å; F507-F519 HydrophobicContact CG-CD2 3.96Å; F507-I522 HydrophobicContact CB-CD1 3.89Å; F507-I522 HydrophobicContact CD2-CD1 3.97Å; F507-I522 HydrophobicContact CG-CD1 4.45Å; F507-W577 AromaticContact CE1-CD1 3.53Å; F507-W577 AromaticContact CE1-NE1 3.71Å; F507-W577 AromaticContact CZ-CD1 3.83Å; F507-Y579 WeakPolarHBondContact CE1-O 3.45Å; F507-P583 HydrophobicContact CD1-CG 4.37Å; F507-Y588 WeakPolarHBondContact CB-OH 3.41Å; F507-Y588 PolarHBondContact N-OH 3.45Å; F507-Y588 VanDerWaalsContact N-OH 3.07Å
508	D	92.5	Very high	94.5	Very high	41 Å²	41	41.3 Å²	41.3	22%	0.219	20%	0.204	C	C	.	.	H	α-helix	trans	-51.1	-46.7	175.2	57.5	-23.4	0	0	0	112.6	L506 K511 S512 N582	L506-D508 VanDerWaalsContact C-N 3.32Å; L506-D508 VanDerWaalsContact C-OD1 3.3Å; L506-D508 PolarHBondContact O-N 3.42Å; D508-K511 PolarHBondContact O-N 3.05Å; D508-S512 WeakPolarHBondContact O-CB 3.21Å; D508-S512 PolarHBondContact O-N 3.17Å; D508-S512 PolarHBondContact O-OG 2.93Å; D508-N582 HydrophobicContact CB-CB 3.85Å
509	I	91.3	Very high	94.4	Very high	59 Å²	59	40.7 Å²	40.7	30%	0.303	20%	0.201	S	C	.	.	H	α-helix	trans	-66.1	-40.6	178	-60.5	-179.7	0	0	0	111.1	L506 F507 S512 N513	L506-I509 HydrophobicContact CB-CB 4.45Å; L506-I509 HydrophobicContact CB-CD1 4.35Å; L506-I509 HydrophobicContact CD2-CD1 3.97Å; L506-I509 PolarHBondContact O-N 3.49Å; F507-I509 VanDerWaalsContact C-N 3.31Å; F507-I509 PolarHBondContact O-N 2.9Å; I509-S512 WeakPolarHBondContact CA-OG 3.25Å; I509-S512 PolarHBondContact O-OG 3.48Å; I509-S512 VanDerWaalsContact O-OG 3.05Å; I509-N513 VanDerWaalsContact O-CB 3.31Å; I509-N513 WeakPolarHBondContact O-CB 3.4Å; I509-N513 VanDerWaalsContact O-CG 3.32Å; I509-N513 PolarHBondContact O-N 2.94Å; I509-N513 PolarHBondContact O-ND2 2.96Å
510	F	92.5	Very high	94.4	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.022	20%	0.202	C	C	.	.	H	α-helix	trans	-75.4	-32.7	-178.8	-54.4	-18.2	0	0	0	111.6	Y473 K475 L506 F507 K514 M515 M516 I522	Y473-F510 HydrophobicContact CD1-CZ 4.28Å; Y473-F510 WeakPolarHBondContact O-CE2 3.46Å; K475-F510 HydrophobicContact CD-CE1 4.36Å; K475-F510 HydrophobicContact CD-CZ 4.32Å; K475-F510 HydrophobicContact CG-CD1 4.49Å; K475-F510 HydrophobicContact CG-CD2 4.1Å; K475-F510 HydrophobicContact CG-CE1 4.31Å; K475-F510 HydrophobicContact CG-CE2 3.88Å; K475-F510 HydrophobicContact CG-CG 4.43Å; K475-F510 HydrophobicContact CG-CZ 4Å; L506-F510 HydrophobicContact CB-CE1 3.94Å; L506-F510 HydrophobicContact CB-CE2 4.23Å; L506-F510 HydrophobicContact CB-CZ 3.71Å; L506-F510 HydrophobicContact CD1-CE1 4.5Å; L506-F510 HydrophobicContact CD1-CZ 4.29Å; L506-F510 WeakPolarHBondContact O-CG 3.44Å; L506-F510 PolarHBondContact O-N 2.86Å; F507-F510 PolarHBondContact O-N 3.09Å; F507-F510 VanDerWaalsContact O-N 3.12Å; F510-K514 PolarHBondContact O-N 2.99Å; F510-M515 HydrophobicContact CB-CB 4.37Å; F510-M515 HydrophobicContact CD1-SD 4.41Å; F510-M515 WeakPolarHBondContact O-CB 3.43Å; F510-M515 PolarHBondContact O-N 2.59Å; F510-M516 HydrophobicContact CB-CG 3.69Å; F510-M516 HydrophobicContact CB-SD 3.47Å; F510-M516 WeakPolarHBondContact CB-SD 3.38Å; F510-M516 HydrophobicContact CD2-SD 3.88Å; F510-M516 HydrophobicContact CG-SD 4.2Å; F510-I522 HydrophobicContact CD2-CD1 4.03Å; F510-I522 HydrophobicContact CD2-CG1 4.47Å; F510-I522 HydrophobicContact CE2-CD1 4.43Å
511	K	92.2	Very high	94.3	Very high	41 Å²	41	43.6 Å²	43.6	18%	0.178	22%	0.215	C	C	.	.	H	α-helix	trans	-69.2	-49.9	176.3	177.2	61.6	172.7	-174.3	0	112.3	F507 D508 N513 K514 K517 T578 Y579	F507-K511 HydrophobicContact CD1-CB 4.4Å; F507-K511 HydrophobicContact CE1-CB 4.08Å; F507-K511 HydrophobicContact CE1-CG 4.13Å; F507-K511 HydrophobicContact CE2-CB 4.41Å; F507-K511 HydrophobicContact CZ-CB 4.1Å; F507-K511 HydrophobicContact CZ-CD 4.11Å; F507-K511 HydrophobicContact CZ-CG 4.09Å; F507-K511 WeakPolarHBondContact O-CB 3.39Å; F507-K511 PolarHBondContact O-N 3.26Å; D508-K511 PolarHBondContact O-N 3.05Å; K511-N513 VanDerWaalsContact C-N 3.31Å; K511-N513 PolarHBondContact O-N 3.4Å; K511-K514 WeakPolarHBondContact O-CA 3.34Å; K511-K514 PolarHBondContact O-N 3.28Å; K511-K517 PolarHBondContact NZ-O 3.23Å; K511-T578 WeakPolarHBondContact CE-O 3.36Å; K511-T578 PolarHBondContact NZ-O 3.5Å; K511-Y579 WeakPolarHBondContact CE-O 3.33Å; K511-Y579 WeakPolarHBondContact CG-O 2.98Å
512	S	92	Very high	94.2	Very high	70 Å²	70	43.8 Å²	43.8	49%	0.49	22%	0.216	S	C	.	.	H	α-helix	trans	-59.7	-40	174.9	51.5	0	0	0	0	112.2	D508 I509 K514	D508-S512 WeakPolarHBondContact O-CB 3.21Å; D508-S512 PolarHBondContact O-N 3.17Å; D508-S512 PolarHBondContact O-OG 2.93Å; I509-S512 WeakPolarHBondContact CA-OG 3.25Å; I509-S512 PolarHBondContact O-OG 3.48Å; I509-S512 VanDerWaalsContact O-OG 3.05Å; S512-K514 PolarHBondContact O-N 2.72Å
513	N	91.5	Very high	94.2	Very high	89 Å²	89	43.2 Å²	43.2	48%	0.476	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	4.6	173.2	-70.5	-45.9	0	0	0	114.3	I509 K511 M515	I509-N513 VanDerWaalsContact O-CB 3.31Å; I509-N513 WeakPolarHBondContact O-CB 3.4Å; I509-N513 VanDerWaalsContact O-CG 3.32Å; I509-N513 PolarHBondContact O-N 2.94Å; I509-N513 PolarHBondContact O-ND2 2.96Å; K511-N513 VanDerWaalsContact C-N 3.31Å; K511-N513 PolarHBondContact O-N 3.4Å; N513-M515 HydrophobicContact CB-CG 4.02Å; N513-M515 HydrophobicContact CB-SD 4.49Å; N513-M515 PolarHBondContact O-N 3.12Å; N513-M515 VanDerWaalsContact O-N 3.09Å
514	K	92.3	Very high	94.2	Very high	187 Å²	187	45.1 Å²	45.1	81%	0.813	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	23.6	178.3	-54.3	174.4	-174.7	171.2	0	114.1	F510 K511 S512 M516	F510-K514 PolarHBondContact O-N 2.99Å; K511-K514 WeakPolarHBondContact O-CA 3.34Å; K511-K514 PolarHBondContact O-N 3.28Å; S512-K514 PolarHBondContact O-N 2.72Å; K514-M516 PolarHBondContact O-N 2.98Å
515	M	89.6	Confident	94.3	Very high	102 Å²	102	45.8 Å²	45.8	50%	0.502	23%	0.227	S	C	.	.	S	Bend	trans	-70.4	-25.5	176.8	-60.7	-173.3	65	0	0	111.8	K475 F510 N513	K475-M515 HydrophobicContact CB-CE 4.14Å; K475-M515 HydrophobicContact CD-CE 3.97Å; K475-M515 HydrophobicContact CG-CE 4.18Å; F510-M515 HydrophobicContact CB-CB 4.37Å; F510-M515 HydrophobicContact CD1-SD 4.41Å; F510-M515 WeakPolarHBondContact O-CB 3.43Å; F510-M515 PolarHBondContact O-N 2.59Å; N513-M515 HydrophobicContact CB-CG 4.02Å; N513-M515 HydrophobicContact CB-SD 4.49Å; N513-M515 PolarHBondContact O-N 3.12Å; N513-M515 VanDerWaalsContact O-N 3.09Å
516	M	90.6	Very high	94.4	Very high	12 Å²	12	45.3 Å²	45.3	6%	0.059	23%	0.225	C	C	.	.			trans	-154.9	156.2	-173.4	55	176	-58.2	0	0	111.4	F507 F510 K514 S518 E521 I522	F507-M516 HydrophobicContact CD2-CE 3.52Å; F507-M516 HydrophobicContact CD2-SD 4.05Å; F507-M516 HydrophobicContact CE2-CE 3.63Å; F507-M516 HydrophobicContact CE2-SD 4.46Å; F510-M516 HydrophobicContact CB-CG 3.69Å; F510-M516 HydrophobicContact CB-SD 3.47Å; F510-M516 WeakPolarHBondContact CB-SD 3.38Å; F510-M516 HydrophobicContact CD2-SD 3.88Å; F510-M516 HydrophobicContact CG-SD 4.2Å; K514-M516 PolarHBondContact O-N 2.98Å; M516-S518 WeakPolarHBondContact CE-O 3.4Å; M516-E521 WeakPolarHBondContact CA-OE2 3.34Å; M516-E521 HydrophobicContact CB-CB 4.29Å; M516-E521 WeakPolarHBondContact CB-OE2 3.47Å; M516-E521 HydrophobicContact CE-CB 4.07Å; M516-I522 HydrophobicContact CE-CB 3.99Å; M516-I522 HydrophobicContact CE-CD1 3.65Å; M516-I522 HydrophobicContact CE-CG1 3.45Å; M516-I522 VanDerWaalsContact CE-CG1 3.45Å; M516-I522 HydrophobicContact SD-CD1 3.61Å; M516-I522 HydrophobicContact SD-CG1 3.6Å; M516-I522 VanDerWaalsContact SD-CG1 3.6Å
517	K	93.6	Very high	94.6	Very high	150 Å²	150	44 Å²	44	65%	0.652	22%	0.218	S	C	*	.	S	Bend	trans	-102.5	-40.6	-170.1	-58.6	173.4	-172.9	165.7	0	113.8	K511 E521	K511-K517 PolarHBondContact NZ-O 3.23Å; K517-E521 WeakPolarHBondContact CB-OE1 3.47Å; K517-E521 PolarHBondContact N-OE2 3.41Å
518	S	96.5	Very high	94.8	Very high	13 Å²	13	46.3 Å²	46.3	9%	0.091	23%	0.23	C	C	.	.	S	Bend	trans	-138.6	159.8	-176.2	68.2	0	0	0	0	111.6	M516 Q520 E521 P574 E575 W577	M516-S518 WeakPolarHBondContact CE-O 3.4Å; S518-Q520 PolarHBondContact O-N 3.4Å; S518-E521 WeakPolarHBondContact O-CB 3.13Å; S518-E521 PolarHBondContact O-N 3.21Å; S518-E521 VanDerWaalsContact O-N 3.07Å; S518-P574 WeakPolarHBondContact CB-O 3.47Å; S518-E575 WeakPolarHBondContact CB-O 3.41Å; S518-W577 VanDerWaalsContact CA-O 3.26Å; S518-W577 WeakPolarHBondContact CA-O 3.35Å
519	F	97	Very high	95.1	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-26.6	-179.9	-168.8	-104.6	0	0	0	112.8	F507 E521 I522 L523 P574 W577 P583 Y587 Y588	F507-F519 HydrophobicContact CB-CD2 4.07Å; F507-F519 HydrophobicContact CB-CE2 4.3Å; F507-F519 HydrophobicContact CD2-CB 4.36Å; F507-F519 AromaticContact CD2-CD2 3.82Å; F507-F519 HydrophobicContact CD2-CD2 3.82Å; F507-F519 HydrophobicContact CE2-CB 4.19Å; F507-F519 HydrophobicContact CE2-CD2 4.48Å; F507-F519 AromaticContact CG-CD2 3.96Å; F507-F519 HydrophobicContact CG-CD2 3.96Å; F519-E521 PolarHBondContact O-N 3.37Å; F519-I522 HydrophobicContact CD2-CD1 4.45Å; F519-I522 HydrophobicContact CE2-CD1 4.39Å; F519-I522 HydrophobicContact CE2-CG2 4.29Å; F519-I522 HydrophobicContact CZ-CG2 4.44Å; F519-I522 WeakPolarHBondContact O-CB 3.25Å; F519-I522 PolarHBondContact O-N 2.95Å; F519-I522 VanDerWaalsContact O-N 3.1Å; F519-L523 HydrophobicContact CD1-CD1 3.9Å; F519-L523 HydrophobicContact CD1-CD2 4.49Å; F519-L523 HydrophobicContact CD1-CG 3.97Å; F519-L523 HydrophobicContact CE1-CD1 3.95Å; F519-L523 HydrophobicContact CE1-CD2 3.83Å; F519-L523 HydrophobicContact CE1-CG 3.82Å; F519-L523 HydrophobicContact CZ-CD2 4.45Å; F519-L523 PolarHBondContact O-N 3.27Å; F519-P574 HydrophobicContact CB-CB 4.22Å; F519-P574 HydrophobicContact CD1-CB 3.97Å; F519-P574 HydrophobicContact CD1-CG 4.21Å; F519-P574 PolarHBondContact N-O 3.3Å; F519-W577 HydrophobicContact CB-CB 4.06Å; F519-W577 HydrophobicContact CB-CG 4.41Å; F519-W577 PolarHBondContact N-O 2.9Å; F519-W577 VanDerWaalsContact N-O 3.14Å; F519-P583 HydrophobicContact CD2-CG 3.74Å; F519-P583 HydrophobicContact CE2-CG 3.98Å; F519-P583 HydrophobicContact CG-CG 4.25Å; F519-Y587 HydrophobicContact CD1-CD1 4.11Å; F519-Y587 AromaticContact CD1-CE1 3.53Å; F519-Y587 HydrophobicContact CD1-CE1 3.53Å; F519-Y587 AromaticContact CE1-CD1 3.9Å; F519-Y587 HydrophobicContact CE1-CD1 3.9Å; F519-Y587 AromaticContact CE1-CE1 3.77Å; F519-Y587 HydrophobicContact CE1-CE1 3.77Å; F519-Y587 HydrophobicContact CG-CE1 4.19Å; F519-Y587 HydrophobicContact CZ-CD1 4.41Å; F519-Y588 AromaticContact CE2-CD1 3.99Å; F519-Y588 HydrophobicContact CE2-CD1 3.99Å; F519-Y588 AromaticContact CE2-CE1 3.5Å; F519-Y588 HydrophobicContact CE2-CE1 3.5Å; F519-Y588 VanDerWaalsContact CE2-CE1 3.5Å; F519-Y588 HydrophobicContact CE2-CE2 4.21Å; F519-Y588 AromaticContact CE2-CZ 3.63Å; F519-Y588 AromaticContact CZ-CD1 3.71Å; F519-Y588 HydrophobicContact CZ-CD1 3.71Å; F519-Y588 AromaticContact CZ-CE1 3.72Å; F519-Y588 HydrophobicContact CZ-CE1 3.72Å; F519-Y588 HydrophobicContact CZ-CG 4.17Å
520	Q	97.5	Very high	95.4	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-56.9	-32.1	173.5	-172.1	62.7	54.7	0	0	112.6	P257 S518 I522 L523 N524 P574 E575	P257-Q520 VanDerWaalsContact CB-NE2 3.33Å; S518-Q520 PolarHBondContact O-N 3.4Å; Q520-I522 VanDerWaalsContact C-N 3.34Å; Q520-I522 PolarHBondContact O-N 3.4Å; Q520-L523 PolarHBondContact O-N 3.22Å; Q520-N524 PolarHBondContact NE2-OD1 3.48Å; Q520-N524 WeakPolarHBondContact O-CB 3.42Å; Q520-N524 PolarHBondContact O-N 3.43Å; Q520-N524 PolarHBondContact O-ND2 3.19Å; Q520-N524 PolarHBondContact O-OD1 3.05Å; Q520-P574 HydrophobicContact CB-CB 4.04Å; Q520-P574 PolarHBondContact N-O 3.49Å; Q520-E575 HydrophobicContact CB-CB 4.48Å; Q520-E575 HydrophobicContact CB-CG 3.81Å; Q520-E575 HydrophobicContact CG-CG 3.71Å
521	E	96.9	Very high	95.7	Very high	61 Å²	61	41.4 Å²	41.4	29%	0.285	21%	0.205	S	C	.	.	H	α-helix	trans	-65.6	-36.8	178.4	-67.6	176.8	-173.8	0	0	111.4	M516 K517 S518 F519 N525	M516-E521 WeakPolarHBondContact CA-OE2 3.34Å; M516-E521 HydrophobicContact CB-CB 4.29Å; M516-E521 WeakPolarHBondContact CB-OE2 3.47Å; M516-E521 HydrophobicContact CE-CB 4.07Å; K517-E521 WeakPolarHBondContact CB-OE1 3.47Å; K517-E521 PolarHBondContact N-OE2 3.41Å; S518-E521 WeakPolarHBondContact O-CB 3.13Å; S518-E521 PolarHBondContact O-N 3.21Å; S518-E521 VanDerWaalsContact O-N 3.07Å; F519-E521 PolarHBondContact O-N 3.37Å; E521-N525 WeakPolarHBondContact O-CB 3.07Å; E521-N525 PolarHBondContact O-N 3.09Å; E521-N525 PolarHBondContact O-ND2 3.24Å; E521-N525 VanDerWaalsContact O-ND2 3.13Å; E521-N525 PolarHBondContact O-OD1 2.98Å
522	I	96.9	Very high	95.9	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-48.2	170	-89.8	165.7	0	0	0	110.8	F507 F510 M516 F519 Q520 N524 N525 I526	F507-I522 HydrophobicContact CB-CD1 3.89Å; F507-I522 HydrophobicContact CD2-CD1 3.97Å; F507-I522 HydrophobicContact CG-CD1 4.45Å; F510-I522 HydrophobicContact CD2-CD1 4.03Å; F510-I522 HydrophobicContact CD2-CG1 4.47Å; F510-I522 HydrophobicContact CE2-CD1 4.43Å; M516-I522 HydrophobicContact CE-CB 3.99Å; M516-I522 HydrophobicContact CE-CD1 3.65Å; M516-I522 HydrophobicContact CE-CG1 3.45Å; M516-I522 VanDerWaalsContact CE-CG1 3.45Å; M516-I522 HydrophobicContact SD-CD1 3.61Å; M516-I522 HydrophobicContact SD-CG1 3.6Å; M516-I522 VanDerWaalsContact SD-CG1 3.6Å; F519-I522 HydrophobicContact CD2-CD1 4.45Å; F519-I522 HydrophobicContact CE2-CD1 4.39Å; F519-I522 HydrophobicContact CE2-CG2 4.29Å; F519-I522 HydrophobicContact CZ-CG2 4.44Å; F519-I522 WeakPolarHBondContact O-CB 3.25Å; F519-I522 PolarHBondContact O-N 2.95Å; F519-I522 VanDerWaalsContact O-N 3.1Å; Q520-I522 VanDerWaalsContact C-N 3.34Å; Q520-I522 PolarHBondContact O-N 3.4Å; I522-N524 VanDerWaalsContact C-N 3.28Å; I522-N524 PolarHBondContact O-N 2.9Å; I522-N525 PolarHBondContact O-N 3.22Å; I522-I526 HydrophobicContact CG2-CD1 3.57Å; I522-I526 HydrophobicContact CG2-CG1 4.42Å; I522-I526 WeakPolarHBondContact O-CG1 3.1Å; I522-I526 PolarHBondContact O-N 3.18Å
523	L	98	Very high	96.2	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-38	-178.1	-65.3	178.9	0	0	0	111.6	F519 Q520 I526 F527 P574 Y591	F519-L523 HydrophobicContact CD1-CD1 3.9Å; F519-L523 HydrophobicContact CD1-CD2 4.49Å; F519-L523 HydrophobicContact CD1-CG 3.97Å; F519-L523 HydrophobicContact CE1-CD1 3.95Å; F519-L523 HydrophobicContact CE1-CD2 3.83Å; F519-L523 HydrophobicContact CE1-CG 3.82Å; F519-L523 HydrophobicContact CZ-CD2 4.45Å; F519-L523 PolarHBondContact O-N 3.27Å; Q520-L523 PolarHBondContact O-N 3.22Å; L523-I526 PolarHBondContact O-N 3.48Å; L523-F527 HydrophobicContact CD2-CD2 4.37Å; L523-F527 HydrophobicContact CD2-CE2 4.26Å; L523-F527 WeakPolarHBondContact O-CB 3.5Å; L523-F527 PolarHBondContact O-N 3.41Å; L523-P574 HydrophobicContact CD1-CB 3.72Å; L523-P574 HydrophobicContact CD1-CG 3.66Å; L523-Y591 HydrophobicContact CD1-CD1 4.05Å; L523-Y591 HydrophobicContact CD1-CG 4.02Å
524	N	98	Very high	96.5	Very high	44 Å²	44	34.6 Å²	34.6	24%	0.235	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-51.1	172.6	-68.2	-10.7	0	0	0	111.1	F262 Q520 I522 I526 L528 P529	F262-N524 WeakPolarHBondContact CZ-OD1 3.43Å; Q520-N524 PolarHBondContact NE2-OD1 3.48Å; Q520-N524 WeakPolarHBondContact O-CB 3.42Å; Q520-N524 PolarHBondContact O-N 3.43Å; Q520-N524 PolarHBondContact O-ND2 3.19Å; Q520-N524 PolarHBondContact O-OD1 3.05Å; I522-N524 VanDerWaalsContact C-N 3.28Å; I522-N524 PolarHBondContact O-N 2.9Å; N524-I526 VanDerWaalsContact C-N 3.26Å; N524-I526 PolarHBondContact O-N 2.8Å; N524-L528 WeakPolarHBondContact O-CB 3.46Å; N524-L528 PolarHBondContact O-N 2.88Å; N524-P529 WeakPolarHBondContact O-CD 3.41Å
525	N	97.6	Very high	96.7	Very high	26 Å²	26	25.7 Å²	25.7	14%	0.139	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-30.9	-178.4	-65.5	-18.4	0	0	0	113	G474 K475 S476 P477 E521 I522	G474-N525 VanDerWaalsContact O-CB 3.3Å; G474-N525 WeakPolarHBondContact O-CB 3.5Å; G474-N525 PolarHBondContact O-ND2 2.85Å; K475-N525 PolarHBondContact O-ND2 2.86Å; S476-N525 PolarHBondContact N-ND2 3.46Å; P477-N525 VanDerWaalsContact CD-OD1 3.3Å; P477-N525 WeakPolarHBondContact CD-OD1 3.2Å; E521-N525 WeakPolarHBondContact O-CB 3.07Å; E521-N525 PolarHBondContact O-N 3.09Å; E521-N525 PolarHBondContact O-ND2 3.24Å; E521-N525 VanDerWaalsContact O-ND2 3.13Å; E521-N525 PolarHBondContact O-OD1 2.98Å; I522-N525 PolarHBondContact O-N 3.22Å
526	I	98.1	Very high	97	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.015	11%	0.112	C	C	.	.	H	α-helix	trans	-81.5	-50.2	178.5	-67.2	171.6	0	0	0	112	I472 W480 I503 I522 L523 N524	I472-I526 HydrophobicContact CG2-CG1 4.26Å; W480-I526 PolarHBondContact NE1-O 2.9Å; I503-I526 HydrophobicContact CB-CD1 4.5Å; I503-I526 HydrophobicContact CD1-CD1 4.11Å; I503-I526 HydrophobicContact CD1-CG2 3.76Å; I503-I526 HydrophobicContact CG1-CD1 4.13Å; I503-I526 HydrophobicContact CG2-CD1 3.54Å; I522-I526 HydrophobicContact CG2-CD1 3.57Å; I522-I526 HydrophobicContact CG2-CG1 4.42Å; I522-I526 WeakPolarHBondContact O-CG1 3.1Å; I522-I526 PolarHBondContact O-N 3.18Å; L523-I526 PolarHBondContact O-N 3.48Å; N524-I526 VanDerWaalsContact C-N 3.26Å; N524-I526 PolarHBondContact O-N 2.8Å
527	F	98.5	Very high	97.3	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-100.9	-34.4	-166.4	-72.6	-74.3	0	0	0	114.4	F262 L523 L530 F531 F553 M592 N595 L599	F262-F527 HydrophobicContact CD2-CB 3.82Å; F262-F527 HydrophobicContact CE2-CB 3.69Å; L523-F527 HydrophobicContact CD2-CD2 4.37Å; L523-F527 HydrophobicContact CD2-CE2 4.26Å; L523-F527 WeakPolarHBondContact O-CB 3.5Å; L523-F527 PolarHBondContact O-N 3.41Å; F527-L530 HydrophobicContact CD1-CD1 4.42Å; F527-L530 WeakPolarHBondContact O-CB 3.45Å; F527-L530 PolarHBondContact O-N 3.48Å; F527-F531 HydrophobicContact CB-CD2 4.27Å; F527-F531 HydrophobicContact CB-CE2 4.12Å; F527-F531 VanDerWaalsContact O-CD2 3.29Å; F527-F531 WeakPolarHBondContact O-CD2 3.33Å; F527-F531 PolarHBondContact O-N 2.89Å; F527-F531 VanDerWaalsContact O-N 3.13Å; F527-F553 HydrophobicContact CE1-CZ 4.44Å; F527-M592 HydrophobicContact CZ-CB 4.46Å; F527-M592 HydrophobicContact CZ-CG 4.05Å; F527-N595 HydrophobicContact CB-CB 4.42Å; F527-N595 HydrophobicContact CD1-CB 3.7Å; F527-N595 HydrophobicContact CD2-CB 3.61Å; F527-N595 HydrophobicContact CE1-CB 3.74Å; F527-N595 HydrophobicContact CE2-CB 3.65Å; F527-N595 HydrophobicContact CG-CB 3.64Å; F527-N595 HydrophobicContact CZ-CB 3.71Å; F527-L599 HydrophobicContact CD1-CD2 4.45Å
528	L	98	Very high	97.4	Very high	49 Å²	49	19.5 Å²	19.5	26%	0.257	10%	0.102	S	C	.	.	H	α-helix	trans	-58.6	-44.9	-175.8	-178.2	59.7	0	0	0	112.8	I255 F262 N524 L530 F531 E532	I255-L528 HydrophobicContact CB-CD1 4.3Å; I255-L528 HydrophobicContact CG2-CD1 3.68Å; F262-L528 HydrophobicContact CE1-CB 4.09Å; F262-L528 HydrophobicContact CE1-CD1 3.92Å; F262-L528 HydrophobicContact CE1-CG 4.48Å; F262-L528 HydrophobicContact CZ-CB 3.87Å; N524-L528 WeakPolarHBondContact O-CB 3.46Å; N524-L528 PolarHBondContact O-N 2.88Å; L528-L530 PolarHBondContact O-N 3.38Å; L528-L530 VanDerWaalsContact O-N 3.13Å; L528-F531 PolarHBondContact O-N 3.23Å; L528-F531 VanDerWaalsContact O-N 3.11Å; L528-E532 HydrophobicContact CD1-CG 4.05Å; L528-E532 HydrophobicContact CG-CG 4.24Å; L528-E532 WeakPolarHBondContact O-CG 3.29Å; L528-E532 PolarHBondContact O-N 2.81Å
529	P	98.2	Very high	97.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	12%	0.122	C	C	.	.	H	α-helix	trans	-57.7	-29.2	175.9	-27.3	37.2	0	0	0	113.9	P477 W480 Y481 N524 A533 L543	P477-P529 HydrophobicContact CB-CG 3.92Å; W480-P529 HydrophobicContact CB-CB 4.2Å; W480-P529 HydrophobicContact CG-CB 4.28Å; Y481-P529 HydrophobicContact CE2-CB 4.43Å; N524-P529 WeakPolarHBondContact O-CD 3.41Å; P529-A533 VanDerWaalsContact O-CB 3.25Å; P529-A533 WeakPolarHBondContact O-CB 3.5Å; P529-A533 PolarHBondContact O-N 3.35Å; P529-L543 HydrophobicContact CB-CD2 4.29Å
530	L	98.4	Very high	97.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-76.9	-39.1	178	-56.5	179.1	0	0	0	112.1	W480 F527 L528 T534 L547 F553 L599	W480-L530 HydrophobicContact CD2-CD2 3.88Å; W480-L530 HydrophobicContact CE3-CD2 3.99Å; W480-L530 HydrophobicContact CH2-CD1 4.13Å; W480-L530 HydrophobicContact CH2-CD2 3.81Å; W480-L530 HydrophobicContact CH2-CG 4.47Å; W480-L530 HydrophobicContact CZ2-CD1 3.66Å; W480-L530 HydrophobicContact CZ2-CD2 3.75Å; W480-L530 HydrophobicContact CZ2-CG 3.99Å; W480-L530 HydrophobicContact CZ3-CD2 3.95Å; F527-L530 HydrophobicContact CD1-CD1 4.42Å; F527-L530 WeakPolarHBondContact O-CB 3.45Å; F527-L530 PolarHBondContact O-N 3.48Å; L528-L530 PolarHBondContact O-N 3.38Å; L528-L530 VanDerWaalsContact O-N 3.13Å; L530-T534 WeakPolarHBondContact O-CB 3.31Å; L530-T534 PolarHBondContact O-N 2.93Å; L530-T534 PolarHBondContact O-OG1 2.67Å; L530-L547 HydrophobicContact CD2-CD1 3.87Å; L530-L547 HydrophobicContact CD2-CD2 3.82Å; L530-L547 HydrophobicContact CD2-CG 4.44Å; L530-F553 HydrophobicContact CD1-CE1 4.19Å; L530-F553 HydrophobicContact CD1-CZ 3.66Å; L530-L599 HydrophobicContact CB-CD1 4.1Å; L530-L599 HydrophobicContact CB-CD2 3.7Å; L530-L599 HydrophobicContact CD1-CD2 3.67Å; L530-L599 HydrophobicContact CG-CD2 4.36Å
531	F	98	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.3	-44.5	172	-77.2	-78.2	0	0	0	110.9	I255 F262 I264 F527 L528 A533 T534 A535 V598 L599 F602	I255-F531 HydrophobicContact CD1-CB 3.78Å; I255-F531 HydrophobicContact CG1-CB 4.16Å; I255-F531 HydrophobicContact CG2-CB 3.83Å; I255-F531 HydrophobicContact CG2-CG 4.16Å; F262-F531 HydrophobicContact CB-CD2 3.89Å; F262-F531 HydrophobicContact CB-CE1 4.28Å; F262-F531 HydrophobicContact CB-CE2 3.41Å; F262-F531 VanDerWaalsContact CB-CE2 3.41Å; F262-F531 HydrophobicContact CB-CZ 3.63Å; F262-F531 HydrophobicContact CD1-CD2 4.44Å; F262-F531 AromaticContact CD2-CD2 3.99Å; F262-F531 HydrophobicContact CD2-CD2 3.99Å; F262-F531 AromaticContact CD2-CE2 3.7Å; F262-F531 HydrophobicContact CD2-CE2 3.7Å; F262-F531 AromaticContact CG-CD2 3.83Å; F262-F531 HydrophobicContact CG-CD2 3.83Å; F262-F531 AromaticContact CG-CE2 3.68Å; F262-F531 HydrophobicContact CG-CE2 3.68Å; F262-F531 HydrophobicContact CG-CZ 4.39Å; I264-F531 HydrophobicContact CD1-CD1 3.99Å; I264-F531 HydrophobicContact CD1-CE1 3.88Å; I264-F531 HydrophobicContact CG1-CD1 4.37Å; I264-F531 HydrophobicContact CG1-CE1 4.47Å; F527-F531 HydrophobicContact CB-CD2 4.27Å; F527-F531 HydrophobicContact CB-CE2 4.12Å; F527-F531 VanDerWaalsContact O-CD2 3.29Å; F527-F531 WeakPolarHBondContact O-CD2 3.33Å; F527-F531 PolarHBondContact O-N 2.89Å; F527-F531 VanDerWaalsContact O-N 3.13Å; L528-F531 PolarHBondContact O-N 3.23Å; L528-F531 VanDerWaalsContact O-N 3.11Å; F531-A533 PolarHBondContact O-N 3.31Å; F531-T534 PolarHBondContact O-N 3.23Å; F531-T534 VanDerWaalsContact O-N 3.16Å; F531-A535 PolarHBondContact O-N 3.46Å; F531-V598 HydrophobicContact CE1-CG1 4.11Å; F531-V598 HydrophobicContact CZ-CB 4.29Å; F531-V598 HydrophobicContact CZ-CG1 4.23Å; F531-L599 HydrophobicContact CD1-CD1 3.88Å; F531-L599 HydrophobicContact CD2-CD1 4.31Å; F531-L599 HydrophobicContact CE1-CB 3.93Å; F531-L599 HydrophobicContact CE1-CD1 3.96Å; F531-L599 HydrophobicContact CE2-CB 4.12Å; F531-L599 HydrophobicContact CE2-CD1 4.37Å; F531-L599 HydrophobicContact CG-CD1 4.05Å; F531-L599 HydrophobicContact CZ-CB 3.61Å; F531-L599 HydrophobicContact CZ-CD1 4.21Å; F531-L599 HydrophobicContact CZ-CG 4.48Å; F531-F602 AromaticContact CD1-CD1 3.85Å; F531-F602 HydrophobicContact CD1-CD1 3.85Å; F531-F602 HydrophobicContact CD1-CE1 4.41Å; F531-F602 HydrophobicContact CE1-CD1 4.4Å
532	E	97.3	Very high	97.4	Very high	57 Å²	57	27.2 Å²	27.2	27%	0.266	14%	0.139	S	C	.	.	H	α-helix	trans	-60.3	-46.1	176.7	-70	-175.8	144.5	0	0	112.3	Y481 L528 T534 A535 R536	Y481-E532 PolarHBondContact OH-OE2 2.88Å; L528-E532 HydrophobicContact CD1-CG 4.05Å; L528-E532 HydrophobicContact CG-CG 4.24Å; L528-E532 WeakPolarHBondContact O-CG 3.29Å; L528-E532 PolarHBondContact O-N 2.81Å; E532-T534 VanDerWaalsContact C-N 3.29Å; E532-T534 PolarHBondContact O-N 3.2Å; E532-A535 PolarHBondContact O-N 2.8Å; E532-R536 PolarHBondContact O-N 3.09Å
533	A	97.3	Very high	97.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.2	-22.8	175.8	0	0	0	0	0	114	P529 F531 P537 H540 L543	P529-A533 VanDerWaalsContact O-CB 3.25Å; P529-A533 WeakPolarHBondContact O-CB 3.5Å; P529-A533 PolarHBondContact O-N 3.35Å; F531-A533 PolarHBondContact O-N 3.31Å; A533-P537 VanDerWaalsContact O-CA 3.3Å; A533-P537 WeakPolarHBondContact O-CA 3.44Å; A533-H540 HydrophobicContact CB-CB 3.69Å; A533-L543 HydrophobicContact CB-CB 4.47Å; A533-L543 HydrophobicContact CB-CD2 3.82Å; A533-L543 HydrophobicContact CB-CG 4.08Å
534	T	97.5	Very high	97.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-78.5	-39.7	173.1	-58.6	0	0	0	0	111.6	L530 F531 E532 F602 R603 R606 M608	L530-T534 WeakPolarHBondContact O-CB 3.31Å; L530-T534 PolarHBondContact O-N 2.93Å; L530-T534 PolarHBondContact O-OG1 2.67Å; F531-T534 PolarHBondContact O-N 3.23Å; F531-T534 VanDerWaalsContact O-N 3.16Å; E532-T534 VanDerWaalsContact C-N 3.29Å; E532-T534 PolarHBondContact O-N 3.2Å; T534-F602 HydrophobicContact CG2-CD1 3.4Å; T534-F602 VanDerWaalsContact CG2-CD1 3.4Å; T534-F602 HydrophobicContact CG2-CD2 4.43Å; T534-F602 HydrophobicContact CG2-CE1 3.51Å; T534-F602 HydrophobicContact CG2-CG 3.92Å; T534-F602 HydrophobicContact CG2-CZ 4.08Å; T534-R603 HydrophobicContact CG2-CB 4.31Å; T534-R603 HydrophobicContact CG2-CG 3.47Å; T534-R603 VanDerWaalsContact CG2-CG 3.47Å; T534-R603 WeakPolarHBondContact OG1-CG 3.43Å; T534-R603 PolarHBondContact OG1-NH1 3.41Å; T534-R606 HydrophobicContact CG2-CG 4.19Å; T534-R606 PolarHBondContact O-NH1 3.03Å; T534-M608 HydrophobicContact CG2-SD 4.01Å; T534-M608 VanDerWaalsContact O-CE 3.3Å; T534-M608 WeakPolarHBondContact O-CE 3.26Å
535	A	96.7	Very high	97.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	14%	0.139	C	C	.	.	H	α-helix	trans	-67.5	-45.5	175.3	0	0	0	0	0	111.3	E251 F253 I255 F531 E532 F602 R606	E251-A535 PolarHBondContact N-O 3.14Å; F253-A535 HydrophobicContact CB-CB 4.49Å; F253-A535 HydrophobicContact CD2-CB 4.26Å; I255-A535 HydrophobicContact CD1-CB 4.22Å; F531-A535 PolarHBondContact O-N 3.46Å; E532-A535 PolarHBondContact O-N 2.8Å; A535-F602 HydrophobicContact CB-CE1 4.15Å; A535-F602 HydrophobicContact CB-CZ 3.87Å; A535-R606 PolarHBondContact O-NH1 3.44Å
536	R	96.8	Very high	97.4	Very high	60 Å²	60	27.1 Å²	27.1	23%	0.226	13%	0.133	C	C	.	.			trans	-134.4	65.4	-168.7	-59.2	-174.9	-60.5	-150.1	-8.9	112.4	D250 E251 D252 E532 S538 K539 H540	D250-R536 HydrophobicContact CB-CB 4.19Å; D250-R536 HydrophobicContact CB-CG 4.08Å; D250-R536 VanDerWaalsContact CG-CA 3.48Å; D250-R536 VanDerWaalsContact OD1-CA 3.24Å; D250-R536 WeakPolarHBondContact OD1-CA 3.3Å; E251-R536 WeakPolarHBondContact O-CG 3.35Å; D252-R536 VanDerWaalsContact OD1-CD 3.28Å; D252-R536 WeakPolarHBondContact OD1-CD 3.44Å; D252-R536 IonicContact OD1-CZ 3.4Å; D252-R536 IonicContact OD1-NH1 3.47Å; D252-R536 PolarHBondContact OD1-NH1 3.11Å; E532-R536 PolarHBondContact O-N 3.09Å; R536-S538 PolarHBondContact O-N 3.14Å; R536-S538 VanDerWaalsContact O-N 3.11Å; R536-K539 HydrophobicContact CB-CB 4.36Å; R536-K539 HydrophobicContact CB-CD 4.07Å; R536-K539 HydrophobicContact CB-CG 4.3Å; R536-K539 PolarHBondContact O-N 2.82Å; R536-H540 PolarHBondContact O-CD2 3.47Å
537	P	97	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.8	-176.4	25.9	-36.7	0	0	0	113.3	F247 P248 D250 A533 K539 H540 H544 M608	F247-P537 HydrophobicContact CD1-CB 4.12Å; F247-P537 WeakPolarHBondContact CE1-O 3.45Å; P248-P537 VanDerWaalsContact O-CG 3.3Å; P248-P537 WeakPolarHBondContact O-CG 3.44Å; D250-P537 VanDerWaalsContact OD1-CD 3.3Å; D250-P537 WeakPolarHBondContact OD1-CD 3.49Å; A533-P537 VanDerWaalsContact O-CA 3.3Å; A533-P537 WeakPolarHBondContact O-CA 3.44Å; P537-K539 VanDerWaalsContact C-N 3.29Å; P537-K539 PolarHBondContact O-N 2.6Å; P537-H540 CarbonylContact O-C 3.55Å; P537-H540 PolarHBondContact O-N 3.36Å; P537-H544 HydrophobicContact CB-CB 3.99Å; P537-M608 HydrophobicContact CB-CE 4.16Å; P537-M608 HydrophobicContact CG-CE 3.82Å
538	S	96.2	Very high	97.2	Very high	73 Å²	73	30 Å²	30	51%	0.51	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-29.6	177.6	96.1	0	0	0	0	113.2	D250 R536	D250-S538 VanDerWaalsContact OD1-CB 3.24Å; D250-S538 WeakPolarHBondContact OD1-CB 3.42Å; D250-S538 PolarHBondContact OD1-N 2.85Å; D250-S538 PolarHBondContact OD1-OG 3.1Å; D250-S538 PolarHBondContact OD2-OG 3.02Å; R536-S538 PolarHBondContact O-N 3.14Å; R536-S538 VanDerWaalsContact O-N 3.11Å
539	K	96.5	Very high	97.1	Very high	116 Å²	116	29.1 Å²	29.1	50%	0.504	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-19.4	176.4	-64.1	-179.5	-171.8	175.6	0	113	D252 R536 P537 P541	D252-K539 IonicContact OD1-NZ 3.83Å; R536-K539 HydrophobicContact CB-CB 4.36Å; R536-K539 HydrophobicContact CB-CD 4.07Å; R536-K539 HydrophobicContact CB-CG 4.3Å; R536-K539 PolarHBondContact O-N 2.82Å; P537-K539 VanDerWaalsContact C-N 3.29Å; P537-K539 PolarHBondContact O-N 2.6Å; K539-P541 WeakPolarHBondContact O-CD 3.47Å
540	H	96.7	Very high	97.1	Very high	31 Å²	31	29.1 Å²	29.1	14%	0.144	14%	0.14	C	C	.	.	S	Bend	trans	-126.3	53.6	-178	-52.6	-82.1	0	0	0	111.8	Y481 A533 R536 P537 E542 L543 H544	Y481-H540 HydrophobicContact CE1-CB 4.22Å; Y481-H540 AromaticContact CE1-ND1 3.26Å; Y481-H540 VanDerWaalsContact CE1-ND1 3.26Å; Y481-H540 WeakPolarHBondContact CE1-ND1 3.22Å; Y481-H540 AromaticContact CZ-CE1 3.92Å; Y481-H540 AromaticContact CZ-ND1 3.44Å; Y481-H540 PolarHBondContact OH-CE1 3.49Å; Y481-H540 PolarHBondContact OH-ND1 3.1Å; Y481-H540 VanDerWaalsContact OH-ND1 3.07Å; A533-H540 HydrophobicContact CB-CB 3.69Å; R536-H540 PolarHBondContact O-CD2 3.47Å; P537-H540 CarbonylContact O-C 3.55Å; P537-H540 PolarHBondContact O-N 3.36Å; H540-E542 PolarHBondContact O-N 3.13Å; H540-L543 HydrophobicContact CB-CB 4.34Å; H540-L543 PolarHBondContact O-N 2.9Å; H540-L543 VanDerWaalsContact O-N 3.17Å; H540-H544 PolarHBondContact O-N 3.13Å
541	P	97	Very high	97.1	Very high	44 Å²	44	30 Å²	30	29%	0.286	14%	0.144	S	C	.	.	H	α-helix	trans	-71.4	-30.9	-162.2	29.4	-36.9	0	0	0	114.1	F247 K539 R545	F247-P541 HydrophobicContact CE1-CB 3.76Å; F247-P541 HydrophobicContact CZ-CB 3.85Å; K539-P541 WeakPolarHBondContact O-CD 3.47Å; P541-R545 WeakPolarHBondContact O-CB 3.39Å; P541-R545 VanDerWaalsContact O-CD 3.3Å; P541-R545 WeakPolarHBondContact O-CD 3.44Å; P541-R545 WeakPolarHBondContact O-CG 3.44Å; P541-R545 PolarHBondContact O-N 3.32Å
542	E	96.8	Very high	97.1	Very high	56 Å²	56	30 Å²	30	26%	0.262	14%	0.144	S	C	.	.	H	α-helix	trans	-67	-45.1	173.7	-68.4	154.4	138.6	0	0	110.1	A484 K485 I488 H540 R545 F546	A484-E542 HydrophobicContact CB-CB 4.31Å; K485-E542 IonicContact NZ-OE1 3.49Å; K485-E542 PolarHBondContact NZ-OE1 2.74Å; I488-E542 VanDerWaalsContact CD1-CA 3.5Å; I488-E542 HydrophobicContact CD1-CB 3.89Å; I488-E542 HydrophobicContact CD1-CG 4.25Å; I488-E542 WeakPolarHBondContact CD1-O 3.41Å; H540-E542 PolarHBondContact O-N 3.13Å; E542-R545 PolarHBondContact O-N 3.4Å; E542-F546 PolarHBondContact O-N 2.62Å
543	L	97.8	Very high	97.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-47.7	179.4	-175.3	53.6	0	0	0	111.8	W480 Y481 A484 P529 A533 H540 R545 F546 L547	W480-L543 HydrophobicContact CB-CD1 4.11Å; W480-L543 HydrophobicContact CB-CD2 4.05Å; W480-L543 HydrophobicContact CD2-CD1 4.31Å; W480-L543 HydrophobicContact CE3-CD1 3.68Å; W480-L543 HydrophobicContact CZ3-CD1 4.42Å; Y481-L543 HydrophobicContact CD1-CB 4.29Å; Y481-L543 HydrophobicContact CD1-CD2 4.03Å; Y481-L543 HydrophobicContact CE1-CB 4.38Å; Y481-L543 HydrophobicContact CE1-CD2 3.62Å; A484-L543 HydrophobicContact CB-CB 4.25Å; A484-L543 HydrophobicContact CB-CD1 4.15Å; P529-L543 HydrophobicContact CB-CD2 4.29Å; A533-L543 HydrophobicContact CB-CB 4.47Å; A533-L543 HydrophobicContact CB-CD2 3.82Å; A533-L543 HydrophobicContact CB-CG 4.08Å; H540-L543 HydrophobicContact CB-CB 4.34Å; H540-L543 PolarHBondContact O-N 2.9Å; H540-L543 VanDerWaalsContact O-N 3.17Å; L543-R545 VanDerWaalsContact C-N 3.3Å; L543-R545 PolarHBondContact O-N 3.07Å; L543-F546 PolarHBondContact O-N 2.74Å; L543-F546 VanDerWaalsContact O-N 3.16Å; L543-L547 HydrophobicContact CD1-CD1 4.16Å; L543-L547 HydrophobicContact CD1-CD2 4.21Å; L543-L547 HydrophobicContact CD1-CG 3.94Å; L543-L547 HydrophobicContact CG-CD1 4.03Å; L543-L547 HydrophobicContact CG-CG 4.28Å; L543-L547 VanDerWaalsContact O-CG 3.27Å; L543-L547 WeakPolarHBondContact O-CG 3.4Å; L543-L547 PolarHBondContact O-N 3.25Å
544	H	97.4	Very high	97.3	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-57	-41.4	177.1	178.7	59.1	0	0	0	112.9	E246 F247 P537 H540 Q548	E246-H544 PolarHBondContact O-NE2 2.65Å; F247-H544 AromaticContact CD1-CD2 3.81Å; F247-H544 HydrophobicContact CE1-CB 4.34Å; F247-H544 AromaticContact CE1-CD2 3.72Å; F247-H544 AromaticContact CZ-CD2 3.91Å; P537-H544 HydrophobicContact CB-CB 3.99Å; H540-H544 PolarHBondContact O-N 3.13Å; H544-Q548 PolarHBondContact CE1-NE2 2.86Å; H544-Q548 PolarHBondContact O-NE2 3.27Å
545	R	97.1	Very high	97.3	Very high	74 Å²	74	27.3 Å²	27.3	28%	0.279	13%	0.131	S	C	.	.	H	α-helix	trans	-63.7	-46.2	174.7	-76.3	168.6	-178.7	164.3	4	112.6	W243 V245 F247 I488 P541 E542 L543 Q548	W243-R545 WeakPolarHBondContact O-CD 3.48Å; W243-R545 WeakPolarHBondContact O-CG 3.29Å; W243-R545 PolarHBondContact O-NE 3.36Å; W243-R545 VanDerWaalsContact O-NE 3.15Å; V245-R545 HydrophobicContact CG1-CG 4.38Å; V245-R545 HydrophobicContact CG2-CB 4.43Å; V245-R545 HydrophobicContact CG2-CG 3.65Å; F247-R545 HydrophobicContact CE2-CG 4.41Å; F247-R545 HydrophobicContact CZ-CG 4.17Å; I488-R545 HydrophobicContact CD1-CB 3.7Å; P541-R545 WeakPolarHBondContact O-CB 3.39Å; P541-R545 VanDerWaalsContact O-CD 3.3Å; P541-R545 WeakPolarHBondContact O-CD 3.44Å; P541-R545 WeakPolarHBondContact O-CG 3.44Å; P541-R545 PolarHBondContact O-N 3.32Å; E542-R545 PolarHBondContact O-N 3.4Å; L543-R545 VanDerWaalsContact C-N 3.3Å; L543-R545 PolarHBondContact O-N 3.07Å; R545-Q548 PolarHBondContact O-N 3.26Å
546	F	97.6	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.6	-41	179.2	178.4	-114.8	0	0	0	112	L470 W480 L483 A484 A487 W499 I501 E542 L543 Q548 Y549 V550	L470-F546 HydrophobicContact CD1-CE2 4.4Å; L470-F546 HydrophobicContact CD1-CZ 3.94Å; W480-F546 HydrophobicContact CZ3-CE1 4.47Å; L483-F546 HydrophobicContact CD2-CE1 3.9Å; L483-F546 HydrophobicContact CD2-CZ 4.13Å; L483-F546 HydrophobicContact CG-CE1 4.07Å; L483-F546 HydrophobicContact CG-CZ 4.15Å; A484-F546 HydrophobicContact CB-CB 3.68Å; A484-F546 HydrophobicContact CB-CD1 4.17Å; A484-F546 HydrophobicContact CB-CG 4.1Å; A487-F546 HydrophobicContact CB-CD2 3.6Å; A487-F546 HydrophobicContact CB-CE2 3.84Å; W499-F546 AromaticContact CD1-CE2 3.93Å; W499-F546 HydrophobicContact CG-CE2 4.32Å; W499-F546 HydrophobicContact CG-CZ 4.44Å; I501-F546 HydrophobicContact CD1-CE1 4.16Å; I501-F546 HydrophobicContact CD1-CZ 4.32Å; E542-F546 PolarHBondContact O-N 2.62Å; L543-F546 PolarHBondContact O-N 2.74Å; L543-F546 VanDerWaalsContact O-N 3.16Å; F546-Q548 PolarHBondContact O-N 2.94Å; F546-Q548 VanDerWaalsContact O-N 3.13Å; F546-Y549 PolarHBondContact O-N 3.02Å; F546-V550 HydrophobicContact CD1-CG2 3.96Å; F546-V550 HydrophobicContact CE1-CG2 3.57Å; F546-V550 HydrophobicContact CZ-CG2 3.89Å
547	L	97.6	Very high	96.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.9	-20.5	-179.8	-69.5	176.8	0	0	0	114	W480 L530 L543 Y549 V550 N609 F611	W480-L547 HydrophobicContact CH2-CD2 4.36Å; W480-L547 HydrophobicContact CZ3-CD2 3.84Å; L530-L547 HydrophobicContact CD2-CD1 3.87Å; L530-L547 HydrophobicContact CD2-CD2 3.82Å; L530-L547 HydrophobicContact CD2-CG 4.44Å; L543-L547 HydrophobicContact CD1-CD1 4.16Å; L543-L547 HydrophobicContact CD1-CD2 4.21Å; L543-L547 HydrophobicContact CD1-CG 3.94Å; L543-L547 HydrophobicContact CG-CD1 4.03Å; L543-L547 HydrophobicContact CG-CG 4.28Å; L543-L547 VanDerWaalsContact O-CG 3.27Å; L543-L547 WeakPolarHBondContact O-CG 3.4Å; L543-L547 PolarHBondContact O-N 3.25Å; L547-Y549 PolarHBondContact O-N 3.26Å; L547-V550 HydrophobicContact CD2-CB 4.3Å; L547-V550 HydrophobicContact CD2-CG2 4.21Å; L547-V550 PolarHBondContact O-N 2.78Å; L547-N609 PolarHBondContact O-ND2 2.83Å; L547-F611 HydrophobicContact CB-CZ 4.36Å; L547-F611 HydrophobicContact CD1-CZ 4.48Å; L547-F611 HydrophobicContact CD2-CE1 4.31Å; L547-F611 HydrophobicContact CD2-CZ 3.89Å; L547-F611 HydrophobicContact CG-CZ 4.46Å
548	Q	95.5	Very high	96.6	Very high	65 Å²	65	27.4 Å²	27.4	30%	0.304	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.4	172.3	-59.7	-50.7	-50	0	0	113.6	V245 H544 R545 F546 N609	V245-Q548 HydrophobicContact CB-CG 4.18Å; V245-Q548 HydrophobicContact CG1-CB 4.47Å; V245-Q548 HydrophobicContact CG1-CG 3.88Å; V245-Q548 HydrophobicContact CG2-CG 4.37Å; H544-Q548 PolarHBondContact CE1-NE2 2.86Å; H544-Q548 PolarHBondContact O-NE2 3.27Å; R545-Q548 PolarHBondContact O-N 3.26Å; F546-Q548 PolarHBondContact O-N 2.94Å; F546-Q548 VanDerWaalsContact O-N 3.13Å; Q548-N609 PolarHBondContact NE2-OD1 2.69Å
549	Y	96.9	Very high	96.5	Very high	29 Å²	29	24.5 Å²	24.5	11%	0.114	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-5.4	179.5	-59.3	-66.6	0	0	0	113.7	P242 W243 Y493 W499 F546 L547	P242-Y549 PolarHBondContact O-OH 2.9Å; W243-Y549 HydrophobicContact CE3-CD2 4.18Å; W243-Y549 AromaticContact CE3-CE2 3.91Å; W243-Y549 HydrophobicContact CE3-CE2 3.91Å; W243-Y549 HydrophobicContact CH2-CD2 4.33Å; W243-Y549 AromaticContact CZ3-CD2 3.63Å; W243-Y549 HydrophobicContact CZ3-CD2 3.63Å; W243-Y549 AromaticContact CZ3-CE2 3.81Å; W243-Y549 HydrophobicContact CZ3-CE2 3.81Å; Y493-Y549 HydrophobicContact CD2-CE1 4.12Å; Y493-Y549 HydrophobicContact CD2-CE2 4.29Å; Y493-Y549 AromaticContact CD2-CZ 3.97Å; Y493-Y549 HydrophobicContact CE2-CD1 4.2Å; Y493-Y549 AromaticContact CE2-CE1 3.55Å; Y493-Y549 HydrophobicContact CE2-CE1 3.55Å; Y493-Y549 HydrophobicContact CE2-CE2 4.42Å; Y493-Y549 AromaticContact CE2-CZ 3.65Å; W499-Y549 PolarHBondContact N-O 3.01Å; F546-Y549 PolarHBondContact O-N 3.02Å; L547-Y549 PolarHBondContact O-N 3.26Å
550	V	98.2	Very high	96.1	Very high	2 Å²	2	22 Å²	22	1%	0.012	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	128.8	170.2	177.7	0	0	0	0	108.9	W499 I501 F546 L547 N609 F611	W499-V550 HydrophobicContact CB-CG2 4.23Å; W499-V550 CarbonylContact O-C 3.5Å; W499-V550 WeakPolarHBondContact O-CA 3.35Å; I501-V550 HydrophobicContact CD1-CG2 4.31Å; I501-V550 HydrophobicContact CG1-CG1 3.76Å; I501-V550 HydrophobicContact CG1-CG2 4.21Å; F546-V550 HydrophobicContact CD1-CG2 3.96Å; F546-V550 HydrophobicContact CE1-CG2 3.57Å; F546-V550 HydrophobicContact CZ-CG2 3.89Å; L547-V550 HydrophobicContact CD2-CB 4.3Å; L547-V550 HydrophobicContact CD2-CG2 4.21Å; L547-V550 PolarHBondContact O-N 2.78Å; V550-N609 PolarHBondContact O-ND2 2.97Å; V550-F611 HydrophobicContact CB-CE1 4.06Å; V550-F611 HydrophobicContact CG1-CD1 4.01Å; V550-F611 HydrophobicContact CG1-CE1 3.88Å
551	I	97.8	Very high	95.8	Very high	18 Å²	18	23.9 Å²	23.9	9%	0.092	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-16.5	-175.3	57.2	163.6	0	0	0	113.4	E467 R498 W499 L500 V612 G735	E467-I551 HydrophobicContact CG-CD1 4.23Å; E467-I551 WeakPolarHBondContact OE1-CD1 3.39Å; R498-I551 HydrophobicContact CB-CD1 4.01Å; R498-I551 HydrophobicContact CB-CG1 4.24Å; R498-I551 HydrophobicContact CB-CG2 3.95Å; R498-I551 HydrophobicContact CG-CG2 4.14Å; W499-I551 VanDerWaalsContact O-CG1 3.28Å; W499-I551 WeakPolarHBondContact O-CG1 3.47Å; W499-I551 PolarHBondContact O-N 3.47Å; L500-I551 HydrophobicContact CD1-CD1 3.54Å; L500-I551 HydrophobicContact CD1-CG1 3.69Å; L500-I551 HydrophobicContact CG-CG1 4.27Å; I551-V612 WeakPolarHBondContact O-CG2 3.08Å; I551-V612 PolarHBondContact O-N 3.18Å; I551-V612 VanDerWaalsContact O-N 3.13Å; I551-G735 WeakPolarHBondContact CG2-O 3.49Å
552	G	98.1	Very high	95.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.9	177.3	-174.6	0	0	0	0	0	115.5	L500 I501 V612	L500-G552 WeakPolarHBondContact CA-O 3.35Å; I501-G552 PolarHBondContact N-O 3.46Å; G552-V612 CarbonylContact C-O 3.58Å; G552-V612 WeakPolarHBondContact CA-O 3.43Å
553	F	98.7	Very high	95	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	146.3	175.9	-63	-78.4	0	0	0	111.3	W480 I501 I503 F527 L530 M592 M596 F611 V612 L613 R614	W480-F553 HydrophobicContact CH2-CE1 4.1Å; W480-F553 HydrophobicContact CZ2-CE1 4Å; I501-F553 HydrophobicContact CB-CD1 4.17Å; I501-F553 HydrophobicContact CB-CE1 4.35Å; I501-F553 HydrophobicContact CG2-CD1 4.45Å; I501-F553 WeakPolarHBondContact O-CA 3.27Å; I503-F553 HydrophobicContact CD1-CD1 3.88Å; F527-F553 HydrophobicContact CE1-CZ 4.44Å; L530-F553 HydrophobicContact CD1-CE1 4.19Å; L530-F553 HydrophobicContact CD1-CZ 3.66Å; F553-M592 HydrophobicContact CB-CG 4.46Å; F553-M592 HydrophobicContact CB-SD 3.93Å; F553-M596 HydrophobicContact CD2-CB 4.46Å; F553-M596 HydrophobicContact CD2-CG 3.96Å; F553-M596 HydrophobicContact CD2-SD 3.92Å; F553-M596 HydrophobicContact CE2-CG 4.05Å; F553-F611 HydrophobicContact CD2-CB 4.03Å; F553-F611 HydrophobicContact CE2-CB 3.72Å; F553-F611 AromaticContact CE2-CD2 3.78Å; F553-F611 HydrophobicContact CE2-CD2 3.78Å; F553-F611 AromaticContact CE2-CG 3.83Å; F553-F611 HydrophobicContact CE2-CG 3.83Å; F553-F611 HydrophobicContact CZ-CD2 4.23Å; F553-F611 HydrophobicContact CZ-CG 4.45Å; F553-V612 PolarHBondContact N-O 2.9Å; F553-L613 HydrophobicContact CB-CD1 4.3Å; F553-R614 PolarHBondContact O-N 3.46Å
554	D	98.6	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.9	171.4	-164.9	-23.3	0	0	0	108.4	R469 L500 I501 Q502 I503 P615 H616	R469-D554 WeakPolarHBondContact CD-OD2 3.33Å; R469-D554 IonicContact CZ-OD2 2.96Å; R469-D554 IonicContact NE-OD2 3.87Å; R469-D554 PolarHBondContact NE-OD2 3.23Å; R469-D554 IonicContact NH2-OD2 3.49Å; L500-D554 HydrophobicContact CD2-CB 4.3Å; I501-D554 PolarHBondContact O-N 3.24Å; Q502-D554 CarbonylContact C-O 3.55Å; Q502-D554 WeakPolarHBondContact CA-O 3.47Å; Q502-D554 HydrophobicContact CB-CB 4.1Å; I503-D554 PolarHBondContact N-O 2.93Å; D554-P615 VanDerWaalsContact OD1-CA 3.25Å; D554-P615 WeakPolarHBondContact OD1-CA 3.44Å; D554-H616 VanDerWaalsContact CG-ND1 3.31Å; D554-H616 IonicContact OD1-CE1 3.54Å; D554-H616 IonicContact OD1-CG 3.5Å; D554-H616 PolarHBondContact OD1-N 3.5Å; D554-H616 IonicContact OD1-ND1 2.79Å; D554-H616 PolarHBondContact OD1-ND1 3.1Å; D554-H616 IonicContact OD2-CE1 2.74Å; D554-H616 PolarHBondContact OD2-CE1 2.81Å; D554-H616 IonicContact OD2-ND1 3.39Å; D554-H616 PolarHBondContact OD2-ND1 3.02Å
555	S	97.6	Very high	93	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.1	172.3	-176.1	0	0	0	0	108.7	I503 R505 H616	I503-S555 WeakPolarHBondContact O-CA 3.1Å; R505-S555 WeakPolarHBondContact CG-OG 3.42Å; R505-S555 PolarHBondContact NH1-O 2.89Å; R505-S555 PolarHBondContact NH1-OG 3.1Å; S555-H616 WeakPolarHBondContact O-CB 3.4Å; S555-H616 PolarHBondContact O-N 2.95Å
556	V	95.3	Very high	91.7	Very high	15 Å²	15	37.7 Å²	37.7	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153.3	-171	-55.8	0	0	0	0	111	Q502 I503 P504 R505 H616	Q502-V556 HydrophobicContact CB-CG1 3.9Å; Q502-V556 HydrophobicContact CB-CG2 4.21Å; Q502-V556 HydrophobicContact CG-CG2 4.31Å; I503-V556 PolarHBondContact O-N 2.84Å; I503-V556 VanDerWaalsContact O-N 3.13Å; P504-V556 CarbonylContact C-O 3.54Å; P504-V556 VanDerWaalsContact CA-O 3.22Å; P504-V556 WeakPolarHBondContact CA-O 3.43Å; P504-V556 HydrophobicContact CB-CG2 4.09Å; P504-V556 HydrophobicContact CG-CG2 3.83Å; R505-V556 PolarHBondContact N-O 3.35Å; V556-H616 VanDerWaalsContact CG1-CE1 3.42Å; V556-H616 WeakPolarHBondContact CG1-CE1 3.19Å
557	D	91.5	Very high	90.9	Very high	23 Å²	23	38.3 Å²	38.3	12%	0.123	21%	0.21	C	C	.	.	S	Bend	trans	156.1	172.1	163.7	-173	27	0	0	0	106.9	R505 L506 E559 K561	R505-D557 HydrophobicContact CB-CB 4Å; R505-D557 PolarHBondContact NH2-O 2.87Å; L506-D557 HydrophobicContact CD2-CB 4.45Å; D557-E559 PolarHBondContact O-N 2.84Å; D557-K561 IonicContact OD1-NZ 3.71Å; D557-K561 PolarHBondContact OD1-NZ 3.47Å; D557-K561 IonicContact OD2-NZ 2.74Å; D557-K561 PolarHBondContact OD2-NZ 2.61Å
558	D	90.4	Very high	90.4	Very high	26 Å²	26	41 Å²	41	14%	0.139	22%	0.224	C	C	.	.			trans	-54.6	101.4	174.4	-173.8	-0.7	0	0	0	112.7	F416 S560 K561	F416-D558 HydrophobicContact CB-CB 4Å; F416-D558 VanDerWaalsContact CB-OD2 3.3Å; F416-D558 WeakPolarHBondContact CB-OD2 3.45Å; F416-D558 HydrophobicContact CD1-CB 3.57Å; F416-D558 HydrophobicContact CD2-CB 4.18Å; F416-D558 HydrophobicContact CE1-CB 4.03Å; F416-D558 HydrophobicContact CG-CB 3.64Å; D558-S560 PolarHBondContact O-N 3.43Å; D558-S560 WeakPolarHBondContact OD1-CA 3.44Å; D558-S560 VanDerWaalsContact OD1-CB 3.25Å; D558-S560 WeakPolarHBondContact OD1-CB 3.42Å; D558-S560 PolarHBondContact OD1-N 2.84Å; D558-S560 PolarHBondContact OD1-OG 3.44Å; D558-S560 PolarHBondContact OD2-OG 2.94Å; D558-K561 HydrophobicContact CB-CD 4.15Å; D558-K561 HydrophobicContact CB-CG 3.99Å; D558-K561 PolarHBondContact O-N 2.89Å
559	E	92.7	Very high	90	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.056	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.6	174.8	-71.2	-178.1	-176.8	0	0	113.1	D557 C617 G618 E619 A620 G621	D557-E559 PolarHBondContact O-N 2.84Å; E559-C617 VanDerWaalsContact OE1-CA 3.25Å; E559-C617 WeakPolarHBondContact OE1-CA 3.48Å; E559-C617 PolarHBondContact OE1-N 3.21Å; E559-G618 PolarHBondContact OE1-N 3.44Å; E559-G618 WeakPolarHBondContact OE2-CA 3.29Å; E559-G618 PolarHBondContact OE2-N 2.84Å; E559-E619 WeakPolarHBondContact OE2-CA 3.5Å; E559-E619 PolarHBondContact OE2-N 2.95Å; E559-A620 HydrophobicContact CB-CB 3.96Å; E559-A620 PolarHBondContact OE2-N 3.24Å; E559-G621 WeakPolarHBondContact O-CA 2.97Å; E559-G621 PolarHBondContact O-N 3.35Å
560	S	89.4	Confident	89.6	Confident	62 Å²	62	46.3 Å²	46.3	43%	0.434	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-9.3	179.8	79.9	0	0	0	0	114.3	D558	D558-S560 PolarHBondContact O-N 3.43Å; D558-S560 WeakPolarHBondContact OD1-CA 3.44Å; D558-S560 VanDerWaalsContact OD1-CB 3.25Å; D558-S560 WeakPolarHBondContact OD1-CB 3.42Å; D558-S560 PolarHBondContact OD1-N 2.84Å; D558-S560 PolarHBondContact OD1-OG 3.44Å; D558-S560 PolarHBondContact OD2-OG 2.94Å
561	K	89.2	Confident	89.2	Confident	72 Å²	72	47.1 Å²	47.1	31%	0.313	26%	0.262	S	S	.	.	S	Bend	trans	-56.4	134.6	172.6	-75.4	174.9	178.6	177.4	0	110.7	D557 D558 E563	D557-K561 IonicContact OD1-NZ 3.71Å; D557-K561 PolarHBondContact OD1-NZ 3.47Å; D557-K561 IonicContact OD2-NZ 2.74Å; D557-K561 PolarHBondContact OD2-NZ 2.61Å; D558-K561 HydrophobicContact CB-CD 4.15Å; D558-K561 HydrophobicContact CB-CG 3.99Å; D558-K561 PolarHBondContact O-N 2.89Å; K561-E563 PolarHBondContact O-N 2.76Å
562	P	88.2	Confident	89	Confident	138 Å²	138	47.3 Å²	47.3	90%	0.896	26%	0.264	S	S	*	.			trans	-60.3	128.6	171.3	-22.6	33.7	0	0	0	111.1
563	E	89.5	Confident	88.8	Confident	56 Å²	56	50.2 Å²	50.2	26%	0.262	28%	0.275	S	S	.	.			trans	-129.5	161.1	173	61.2	171.7	-161.6	0	0	109.7	K561 P565 P584 Y585 P622 H625	K561-E563 PolarHBondContact O-N 2.76Å; E563-P565 VanDerWaalsContact O-CD 3.27Å; E563-P565 WeakPolarHBondContact O-CD 3.47Å; E563-P584 HydrophobicContact CB-CB 4.46Å; E563-P584 WeakPolarHBondContact OE2-CA 3.41Å; E563-Y585 WeakPolarHBondContact OE2-CB 3.23Å; E563-Y585 PolarHBondContact OE2-N 2.93Å; E563-P622 HydrophobicContact CG-CG 4.13Å; E563-H625 IonicContact OE1-CD2 3.2Å; E563-H625 PolarHBondContact OE1-CD2 3.33Å; E563-H625 IonicContact OE1-CE1 3.04Å; E563-H625 IonicContact OE1-NE2 3.31Å; E563-H625 PolarHBondContact OE1-NE2 3.33Å; E563-H625 IonicContact OE2-NE2 3.63Å
564	N	82.5	Confident	88.7	Confident	93 Å²	93	50.2 Å²	50.2	50%	0.497	28%	0.275	S	S	.	.			trans	-79.7	113	168.7	-176.5	4	0	0	0	109.3	L566 P584	N564-L566 PolarHBondContact O-N 2.91Å; N564-L566 WeakPolarHBondContact OD1-CB 3.2Å; N564-L566 PolarHBondContact OD1-N 2.83Å; N564-L566 VanDerWaalsContact OD1-N 3.1Å; N564-P584 WeakPolarHBondContact O-CB 3.5Å
565	P	70.4	Confident	88.6	Confident	61 Å²	61	54.9 Å²	54.9	40%	0.396	30%	0.297	S	S	.	.			trans	-77	-5.7	-178.4	34.2	-37.7	0	0	0	113.2	E563 F567	E563-P565 VanDerWaalsContact O-CD 3.27Å; E563-P565 WeakPolarHBondContact O-CD 3.47Å; P565-F567 PolarHBondContact O-N 2.81Å
566	L	69.8	Low	88.5	Confident	120 Å²	120	60.4 Å²	60.4	63%	0.628	32%	0.323	S	S	*	.			trans	-79.1	103.5	174.9	-67.4	166.9	0	0	0	109.5	N564	N564-L566 PolarHBondContact O-N 2.91Å; N564-L566 WeakPolarHBondContact OD1-CB 3.2Å; N564-L566 PolarHBondContact OD1-N 2.83Å; N564-L566 VanDerWaalsContact OD1-N 3.1Å
567	F	81	Confident	88.5	Confident	12 Å²	12	60.7 Å²	60.7	5%	0.053	32%	0.322	C	S	.	.			trans	-115.4	102.2	168.4	-177.2	-88.2	0	0	0	107.1	M281 F284 V285 P565 V571 P584 A586 Y587 Y590	M281-F567 HydrophobicContact CE-CE2 4.16Å; M281-F567 HydrophobicContact CE-CZ 3.72Å; M281-F567 HydrophobicContact CG-CE1 4.39Å; M281-F567 HydrophobicContact CG-CZ 4.27Å; F284-F567 HydrophobicContact CD1-CD1 4.3Å; F284-F567 AromaticContact CD1-CE1 3.5Å; F284-F567 HydrophobicContact CD1-CE1 3.5Å; F284-F567 HydrophobicContact CD1-CZ 4.14Å; F284-F567 AromaticContact CE1-CD1 3.89Å; F284-F567 HydrophobicContact CE1-CD1 3.89Å; F284-F567 AromaticContact CE1-CE1 3.42Å; F284-F567 HydrophobicContact CE1-CE1 3.42Å; F284-F567 VanDerWaalsContact CE1-CE1 3.42Å; F284-F567 HydrophobicContact CE1-CZ 4.03Å; V285-F567 HydrophobicContact CG2-CD1 3.67Å; V285-F567 HydrophobicContact CG2-CE1 3.55Å; P565-F567 PolarHBondContact O-N 2.81Å; F567-V571 HydrophobicContact CD2-CG1 4.39Å; F567-V571 HydrophobicContact CD2-CG2 4.27Å; F567-V571 HydrophobicContact CE2-CG2 3.98Å; F567-V571 HydrophobicContact CZ-CG2 4.31Å; F567-P584 HydrophobicContact CD2-CG 4.37Å; F567-A586 HydrophobicContact CB-CB 4.25Å; F567-A586 HydrophobicContact CD2-CB 4.35Å; F567-A586 HydrophobicContact CG-CB 4.16Å; F567-Y587 HydrophobicContact CD2-CD2 4.1Å; F567-Y587 AromaticContact CE2-CD2 3.53Å; F567-Y587 HydrophobicContact CE2-CD2 3.53Å; F567-Y587 HydrophobicContact CE2-CE2 4.4Å; F567-Y587 AromaticContact CE2-CG 3.92Å; F567-Y587 HydrophobicContact CE2-CG 3.92Å; F567-Y590 HydrophobicContact CZ-CD1 4.49Å
568	D	86.9	Confident	88.7	Confident	56 Å²	56	62.8 Å²	62.8	30%	0.299	34%	0.336	S	S	.	.			trans	-121.9	-168	-177.1	60.8	35.3	0	0	0	111.5	V285 D570 V571	V285-D568 WeakPolarHBondContact CG2-O 3.25Å; D568-D570 VanDerWaalsContact C-N 3.29Å; D568-D570 PolarHBondContact O-N 3.28Å; D568-D570 PolarHBondContact OD1-N 2.81Å; D568-V571 WeakPolarHBondContact O-CG2 3.25Å
569	N	86.7	Confident	88.8	Confident	61 Å²	61	67.5 Å²	67.5	33%	0.326	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-13.6	-178	-76	-68.4	0	0	0	114.1	S282	S282-N569 WeakPolarHBondContact CA-OD1 3.27Å; S282-N569 WeakPolarHBondContact CB-OD1 3.31Å; S282-N569 PolarHBondContact OG-OD1 3.01Å
570	D	88.7	Confident	88.7	Confident	146 Å²	146	74.4 Å²	74.4	78%	0.781	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-1	-176	-61.7	-34.6	0	0	0	111.7	D568	D568-D570 VanDerWaalsContact C-N 3.29Å; D568-D570 PolarHBondContact O-N 3.28Å; D568-D570 PolarHBondContact OD1-N 2.81Å
571	V	90.5	Very high	88.7	Confident	19 Å²	19	78.4 Å²	78.4	12%	0.115	40%	0.397	C	S	.	.	S	Bend	trans	-64.3	134.3	175.7	-56.7	0	0	0	0	111.2	M281 F567 D568 Y587	M281-V571 HydrophobicContact CE-CG2 3.51Å; M281-V571 HydrophobicContact SD-CG2 3.74Å; F567-V571 HydrophobicContact CD2-CG1 4.39Å; F567-V571 HydrophobicContact CD2-CG2 4.27Å; F567-V571 HydrophobicContact CE2-CG2 3.98Å; F567-V571 HydrophobicContact CZ-CG2 4.31Å; D568-V571 WeakPolarHBondContact O-CG2 3.25Å; V571-Y587 HydrophobicContact CG2-CE2 4.31Å
572	P	93.1	Very high	88.9	Confident	21 Å²	21	77 Å²	77	14%	0.136	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-59.7	147.2	-178.6	-24.6	32.5	0	0	0	113.2	E576 W577 Y579 Y587	P572-E576 HydrophobicContact CB-CB 3.87Å; P572-W577 HydrophobicContact CB-CB 4.49Å; P572-W577 HydrophobicContact CB-CE3 4.31Å; P572-W577 HydrophobicContact CG-CE3 4.25Å; P572-Y579 HydrophobicContact CG-CE2 3.67Å; P572-Y579 WeakPolarHBondContact CG-OH 3.46Å; P572-Y587 WeakPolarHBondContact O-CE2 3.32Å; P572-Y587 PolarHBondContact O-OH 2.84Å
573	R	94.8	Very high	89.2	Confident	62 Å²	62	70.7 Å²	70.7	23%	0.234	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-68.4	160.7	170.8	-54	-57.4	172.3	161.6	-8.8	110.4	N259 M281 E575 E576 W577	N259-R573 HydrophobicContact CB-CG 4.43Å; M281-R573 VanDerWaalsContact SD-CZ 3.58Å; M281-R573 PolarHBondContact SD-NH1 3.04Å; R573-E575 PolarHBondContact O-N 3.21Å; R573-E575 VanDerWaalsContact O-N 3.09Å; R573-E576 HydrophobicContact CB-CG 4.4Å; R573-E576 WeakPolarHBondContact CB-OE2 3.41Å; R573-E576 WeakPolarHBondContact CG-OE2 3.45Å; R573-E576 PolarHBondContact N-OE2 3.39Å; R573-E576 CarbonylContact O-C 3.51Å; R573-E576 WeakPolarHBondContact O-CA 3.28Å; R573-E576 WeakPolarHBondContact O-CB 3.48Å; R573-E576 PolarHBondContact O-N 3.36Å; R573-W577 PolarHBondContact O-N 3.45Å
574	P	96.7	Very high	89.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28	-173.4	-35	42.9	0	0	0	114.9	S518 F519 Q520 L523 E576 Y587 Y591	S518-P574 WeakPolarHBondContact CB-O 3.47Å; F519-P574 HydrophobicContact CB-CB 4.22Å; F519-P574 HydrophobicContact CD1-CB 3.97Å; F519-P574 HydrophobicContact CD1-CG 4.21Å; F519-P574 PolarHBondContact N-O 3.3Å; Q520-P574 HydrophobicContact CB-CB 4.04Å; Q520-P574 PolarHBondContact N-O 3.49Å; L523-P574 HydrophobicContact CD1-CB 3.72Å; L523-P574 HydrophobicContact CD1-CG 3.66Å; P574-E576 VanDerWaalsContact C-N 3.31Å; P574-Y587 WeakPolarHBondContact CA-OH 3.35Å; P574-Y587 WeakPolarHBondContact CD-OH 3.49Å; P574-Y587 HydrophobicContact CG-CE1 4.11Å; P574-Y587 WeakPolarHBondContact CG-OH 3.3Å; P574-Y587 VanDerWaalsContact N-OH 3.12Å; P574-Y591 VanDerWaalsContact CD-CZ 3.45Å; P574-Y591 VanDerWaalsContact CD-OH 3.29Å; P574-Y591 WeakPolarHBondContact CD-OH 3.49Å; P574-Y591 HydrophobicContact CG-CD1 3.99Å; P574-Y591 HydrophobicContact CG-CD2 3.96Å; P574-Y591 HydrophobicContact CG-CE1 3.66Å; P574-Y591 HydrophobicContact CG-CE2 3.62Å; P574-Y591 HydrophobicContact CG-CG 4.14Å; P574-Y591 VanDerWaalsContact CG-CZ 3.45Å
575	E	95.9	Very high	90.1	Very high	97 Å²	97	64.1 Å²	64.1	45%	0.453	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-33.7	174	-67.6	170.2	-127.1	0	0	111.9	N259 S518 Q520 R573	N259-E575 PolarHBondContact N-OE1 2.99Å; S518-E575 WeakPolarHBondContact CB-O 3.41Å; Q520-E575 HydrophobicContact CB-CB 4.48Å; Q520-E575 HydrophobicContact CB-CG 3.81Å; Q520-E575 HydrophobicContact CG-CG 3.71Å; R573-E575 PolarHBondContact O-N 3.21Å; R573-E575 VanDerWaalsContact O-N 3.09Å
576	E	95.4	Very high	91.3	Very high	116 Å²	116	61.6 Å²	61.6	54%	0.542	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-25.7	-176.8	-55.8	172.5	136.1	0	0	112.4	P572 R573 P574 T578	P572-E576 HydrophobicContact CB-CB 3.87Å; R573-E576 HydrophobicContact CB-CG 4.4Å; R573-E576 WeakPolarHBondContact CB-OE2 3.41Å; R573-E576 WeakPolarHBondContact CG-OE2 3.45Å; R573-E576 PolarHBondContact N-OE2 3.39Å; R573-E576 CarbonylContact O-C 3.51Å; R573-E576 WeakPolarHBondContact O-CA 3.28Å; R573-E576 WeakPolarHBondContact O-CB 3.48Å; R573-E576 PolarHBondContact O-N 3.36Å; P574-E576 VanDerWaalsContact C-N 3.31Å; E576-T578 VanDerWaalsContact C-N 3.26Å; E576-T578 PolarHBondContact O-N 2.9Å; E576-T578 PolarHBondContact O-OG1 2.74Å
577	W	95.2	Very high	92.5	Very high	21 Å²	21	55.9 Å²	55.9	8%	0.08	27%	0.273	C	S	.	.			trans	-65.9	87.6	175.3	-164.2	-70.1	0	0	0	110.1	F507 S518 F519 P572 R573 Y579 E581 P583 Y587	F507-W577 AromaticContact CE1-CD1 3.53Å; F507-W577 AromaticContact CE1-NE1 3.71Å; F507-W577 AromaticContact CZ-CD1 3.83Å; S518-W577 VanDerWaalsContact CA-O 3.26Å; S518-W577 WeakPolarHBondContact CA-O 3.35Å; F519-W577 HydrophobicContact CB-CB 4.06Å; F519-W577 HydrophobicContact CB-CG 4.41Å; F519-W577 PolarHBondContact N-O 2.9Å; F519-W577 VanDerWaalsContact N-O 3.14Å; P572-W577 HydrophobicContact CB-CB 4.49Å; P572-W577 HydrophobicContact CB-CE3 4.31Å; P572-W577 HydrophobicContact CG-CE3 4.25Å; R573-W577 PolarHBondContact O-N 3.45Å; W577-Y579 HydrophobicContact CD2-CD2 4.39Å; W577-Y579 HydrophobicContact CZ2-CD2 4.29Å; W577-E581 PolarHBondContact NE1-O 2.95Å; W577-E581 VanDerWaalsContact NE1-O 3.15Å; W577-P583 HydrophobicContact CD2-CG 4.11Å; W577-P583 HydrophobicContact CG-CG 4.31Å; W577-P583 HydrophobicContact CH2-CB 4.44Å; W577-P583 HydrophobicContact CZ2-CB 4.1Å; W577-P583 HydrophobicContact CZ2-CG 4.12Å; W577-Y587 HydrophobicContact CD2-CE2 4.4Å; W577-Y587 HydrophobicContact CE3-CD2 4.08Å; W577-Y587 AromaticContact CE3-CE2 3.5Å; W577-Y587 HydrophobicContact CE3-CE2 3.5Å; W577-Y587 AromaticContact CE3-CZ 3.94Å; W577-Y587 AromaticContact CZ3-CD2 3.96Å; W577-Y587 HydrophobicContact CZ3-CD2 3.96Å; W577-Y587 AromaticContact CZ3-CE2 3.8Å; W577-Y587 HydrophobicContact CZ3-CE2 3.8Å
578	T	95.4	Very high	93.3	Very high	68 Å²	68	55.6 Å²	55.6	42%	0.417	27%	0.272	S	S	.	.			trans	-122.2	10.5	-175.3	54.2	0	0	0	0	112	K511 E576	K511-T578 WeakPolarHBondContact CE-O 3.36Å; K511-T578 PolarHBondContact NZ-O 3.5Å; E576-T578 VanDerWaalsContact C-N 3.26Å; E576-T578 PolarHBondContact O-N 2.9Å; E576-T578 PolarHBondContact O-OG1 2.74Å
579	Y	92.5	Very high	93.8	Very high	125 Å²	125	53 Å²	53	49%	0.49	26%	0.257	S	S	.	.	S	Bend	trans	-67.6	164	174.4	-51.3	-31	0	0	0	111.5	F507 K511 P572 W577	F507-Y579 WeakPolarHBondContact CE1-O 3.45Å; K511-Y579 WeakPolarHBondContact CE-O 3.33Å; K511-Y579 WeakPolarHBondContact CG-O 2.98Å; P572-Y579 HydrophobicContact CG-CE2 3.67Å; P572-Y579 WeakPolarHBondContact CG-OH 3.46Å; W577-Y579 HydrophobicContact CD2-CD2 4.39Å; W577-Y579 HydrophobicContact CZ2-CD2 4.29Å
580	E	90.3	Very high	94.3	Very high	157 Å²	157	50.3 Å²	50.3	73%	0.734	24%	0.243	S	C	*	.	S	Bend	trans	-82.2	-21.1	174.2	-62.8	-174.1	162.6	0	0	112.3
581	E	90.7	Very high	94.7	Very high	145 Å²	145	43.3 Å²	43.3	68%	0.678	21%	0.206	S	C	*	.	S	Bend	trans	-70.8	143	176.2	-63.9	-177.6	179.5	0	0	112.3	W577	W577-E581 PolarHBondContact NE1-O 2.95Å; W577-E581 VanDerWaalsContact NE1-O 3.15Å
582	N	93	Very high	95.1	Very high	44 Å²	44	42.7 Å²	42.7	24%	0.235	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-69.1	134.7	175.3	-154.4	13.3	0	0	0	109.9	R505 D508 Y588	R505-N582 PolarHBondContact O-ND2 3.2Å; D508-N582 HydrophobicContact CB-CB 3.85Å; N582-Y588 WeakPolarHBondContact OD1-CE2 3.44Å; N582-Y588 PolarHBondContact OD1-OH 2.79Å
583	P	94.3	Very high	95.3	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.026	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-56.8	145.3	169.2	-20.6	28.4	0	0	0	111.5	F507 F519 W577 Y587 Y588	F507-P583 HydrophobicContact CD1-CG 4.37Å; F519-P583 HydrophobicContact CD2-CG 3.74Å; F519-P583 HydrophobicContact CE2-CG 3.98Å; F519-P583 HydrophobicContact CG-CG 4.25Å; W577-P583 HydrophobicContact CD2-CG 4.11Å; W577-P583 HydrophobicContact CG-CG 4.31Å; W577-P583 HydrophobicContact CH2-CB 4.44Å; W577-P583 HydrophobicContact CZ2-CB 4.1Å; W577-P583 HydrophobicContact CZ2-CG 4.12Å; P583-Y587 HydrophobicContact CB-CD1 3.71Å; P583-Y587 HydrophobicContact CB-CD2 4.28Å; P583-Y587 HydrophobicContact CB-CE1 4.4Å; P583-Y587 HydrophobicContact CB-CG 3.67Å; P583-Y587 HydrophobicContact CG-CD1 4.29Å; P583-Y588 HydrophobicContact CB-CD2 4.14Å; P583-Y588 HydrophobicContact CB-CE2 3.94Å; P583-Y588 HydrophobicContact CG-CE2 4.14Å; P583-Y588 WeakPolarHBondContact O-CD2 3.46Å; P583-Y588 VanDerWaalsContact O-CE2 3.29Å; P583-Y588 WeakPolarHBondContact O-CE2 3.29Å
584	P	94.6	Very high	95.5	Very high	10 Å²	10	38.8 Å²	38.8	7%	0.065	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-66.8	159.6	178.1	28.5	-34.7	0	0	0	111.3	E563 N564 F567 A586 Y587 Y588	E563-P584 HydrophobicContact CB-CB 4.46Å; E563-P584 WeakPolarHBondContact OE2-CA 3.41Å; N564-P584 WeakPolarHBondContact O-CB 3.5Å; F567-P584 HydrophobicContact CD2-CG 4.37Å; P584-A586 PolarHBondContact O-N 3.42Å; P584-A586 VanDerWaalsContact O-N 3.12Å; P584-Y587 WeakPolarHBondContact O-CA 3.17Å; P584-Y587 WeakPolarHBondContact O-CB 2.88Å; P584-Y587 PolarHBondContact O-N 3.42Å; P584-Y588 PolarHBondContact O-N 3.14Å
585	Y	95.8	Very high	95.6	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-47.5	-44.6	179.9	178.3	-84.6	0	0	0	112.9	E563 Y587 Y588 I589 H616 C617 H625 C628	E563-Y585 WeakPolarHBondContact OE2-CB 3.23Å; E563-Y585 PolarHBondContact OE2-N 2.93Å; Y585-Y587 VanDerWaalsContact C-N 3.25Å; Y585-Y587 PolarHBondContact O-N 2.96Å; Y585-Y588 PolarHBondContact O-N 3.26Å; Y585-I589 HydrophobicContact CD1-CG1 3.78Å; Y585-I589 HydrophobicContact CE1-CB 4.45Å; Y585-I589 HydrophobicContact CE1-CD1 4.25Å; Y585-I589 HydrophobicContact CE1-CG1 3.37Å; Y585-I589 HydrophobicContact CE2-CD1 4.24Å; Y585-I589 HydrophobicContact CE2-CG1 4.16Å; Y585-I589 HydrophobicContact CG-CG1 4.33Å; Y585-I589 WeakPolarHBondContact O-CG1 3.27Å; Y585-I589 PolarHBondContact O-N 2.78Å; Y585-H616 WeakPolarHBondContact CE2-O 3.48Å; Y585-H616 PolarHBondContact OH-O 2.84Å; Y585-C617 WeakPolarHBondContact OH-CB 3.16Å; Y585-C617 PolarHBondContact OH-SG 2.92Å; Y585-H625 VanDerWaalsContact CB-CD2 3.46Å; Y585-H625 WeakPolarHBondContact CB-CD2 3.35Å; Y585-H625 WeakPolarHBondContact CB-NE2 3.22Å; Y585-H625 HydrophobicContact CD1-CB 3.92Å; Y585-H625 AromaticContact CD1-CD2 3.45Å; Y585-H625 VanDerWaalsContact CD1-CD2 3.45Å; Y585-H625 WeakPolarHBondContact CD1-CD2 3.32Å; Y585-H625 AromaticContact CD1-CG 3.69Å; Y585-H625 AromaticContact CD2-CE1 3.96Å; Y585-H625 AromaticContact CD2-ND1 3.95Å; Y585-H625 HydrophobicContact CE1-CB 3.74Å; Y585-H625 AromaticContact CE1-CG 3.98Å; Y585-H625 HydrophobicContact CG-CB 4.39Å; Y585-H625 AromaticContact CG-CD2 3.4Å; Y585-H625 VanDerWaalsContact CG-CD2 3.4Å; Y585-H625 AromaticContact CG-CE1 3.94Å; Y585-H625 AromaticContact CG-CG 3.72Å; Y585-H625 AromaticContact CG-NE2 3.55Å; Y585-C628 HydrophobicContact CD1-CB 4.35Å; Y585-C628 HydrophobicContact CE1-CB 3.93Å
586	A	95.8	Very high	95.7	Very high	7 Å²	7	34.1 Å²	34.1	6%	0.058	16%	0.162	C	C	.	.	H	α-helix	trans	-57.5	-36.2	178.2	0	0	0	0	0	113.1	M288 F567 P584 Y590	M288-A586 HydrophobicContact CE-CB 4.09Å; M288-A586 HydrophobicContact SD-CB 4.13Å; F567-A586 HydrophobicContact CB-CB 4.25Å; F567-A586 HydrophobicContact CD2-CB 4.35Å; F567-A586 HydrophobicContact CG-CB 4.16Å; P584-A586 PolarHBondContact O-N 3.42Å; P584-A586 VanDerWaalsContact O-N 3.12Å; A586-Y590 VanDerWaalsContact O-CB 3.24Å; A586-Y590 WeakPolarHBondContact O-CB 3.26Å; A586-Y590 PolarHBondContact O-N 2.87Å
587	Y	95.7	Very high	95.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.2	-49	177.4	-161.8	-71.6	0	0	0	110.9	M281 F519 F567 V571 P572 P574 W577 P583 P584 Y585 Y591	M281-Y587 HydrophobicContact CE-CE2 4.4Å; F519-Y587 HydrophobicContact CD1-CD1 4.11Å; F519-Y587 AromaticContact CD1-CE1 3.53Å; F519-Y587 HydrophobicContact CD1-CE1 3.53Å; F519-Y587 AromaticContact CE1-CD1 3.9Å; F519-Y587 HydrophobicContact CE1-CD1 3.9Å; F519-Y587 AromaticContact CE1-CE1 3.77Å; F519-Y587 HydrophobicContact CE1-CE1 3.77Å; F519-Y587 HydrophobicContact CG-CE1 4.19Å; F519-Y587 HydrophobicContact CZ-CD1 4.41Å; F567-Y587 HydrophobicContact CD2-CD2 4.1Å; F567-Y587 AromaticContact CE2-CD2 3.53Å; F567-Y587 HydrophobicContact CE2-CD2 3.53Å; F567-Y587 HydrophobicContact CE2-CE2 4.4Å; F567-Y587 AromaticContact CE2-CG 3.92Å; F567-Y587 HydrophobicContact CE2-CG 3.92Å; V571-Y587 HydrophobicContact CG2-CE2 4.31Å; P572-Y587 WeakPolarHBondContact O-CE2 3.32Å; P572-Y587 PolarHBondContact O-OH 2.84Å; P574-Y587 WeakPolarHBondContact CA-OH 3.35Å; P574-Y587 WeakPolarHBondContact CD-OH 3.49Å; P574-Y587 HydrophobicContact CG-CE1 4.11Å; P574-Y587 WeakPolarHBondContact CG-OH 3.3Å; P574-Y587 VanDerWaalsContact N-OH 3.12Å; W577-Y587 HydrophobicContact CD2-CE2 4.4Å; W577-Y587 HydrophobicContact CE3-CD2 4.08Å; W577-Y587 AromaticContact CE3-CE2 3.5Å; W577-Y587 HydrophobicContact CE3-CE2 3.5Å; W577-Y587 AromaticContact CE3-CZ 3.94Å; W577-Y587 AromaticContact CZ3-CD2 3.96Å; W577-Y587 HydrophobicContact CZ3-CD2 3.96Å; W577-Y587 AromaticContact CZ3-CE2 3.8Å; W577-Y587 HydrophobicContact CZ3-CE2 3.8Å; P583-Y587 HydrophobicContact CB-CD1 3.71Å; P583-Y587 HydrophobicContact CB-CD2 4.28Å; P583-Y587 HydrophobicContact CB-CE1 4.4Å; P583-Y587 HydrophobicContact CB-CG 3.67Å; P583-Y587 HydrophobicContact CG-CD1 4.29Å; P584-Y587 WeakPolarHBondContact O-CA 3.17Å; P584-Y587 WeakPolarHBondContact O-CB 2.88Å; P584-Y587 PolarHBondContact O-N 3.42Å; Y585-Y587 VanDerWaalsContact C-N 3.25Å; Y585-Y587 PolarHBondContact O-N 2.96Å; Y587-Y591 AromaticContact CD1-CD2 3.56Å; Y587-Y591 HydrophobicContact CD1-CD2 3.56Å; Y587-Y591 AromaticContact CD1-CE2 3.9Å; Y587-Y591 HydrophobicContact CD1-CE2 3.9Å; Y587-Y591 AromaticContact CE1-CD2 3.38Å; Y587-Y591 HydrophobicContact CE1-CD2 3.38Å; Y587-Y591 AromaticContact CE1-CE2 3.42Å; Y587-Y591 HydrophobicContact CE1-CE2 3.42Å; Y587-Y591 VanDerWaalsContact CE1-CE2 3.42Å; Y587-Y591 HydrophobicContact CE2-CE2 4.12Å; Y587-Y591 HydrophobicContact CG-CD2 4.3Å; Y587-Y591 HydrophobicContact CG-CE2 4.42Å; Y587-Y591 AromaticContact CZ-CE2 3.53Å; Y587-Y591 WeakPolarHBondContact O-CD2 3.43Å; Y587-Y591 PolarHBondContact O-N 3Å; Y587-Y591 VanDerWaalsContact O-N 3.13Å
588	Y	96.4	Very high	96	Very high	7 Å²	7	27.8 Å²	27.8	3%	0.027	13%	0.134	C	C	.	.	H	α-helix	trans	-59.7	-49.6	176.4	-83.6	-91.6	0	0	0	111.9	R505 L506 F507 F519 N582 P583 P584 Y585 M592	R505-Y588 VanDerWaalsContact C-OH 3.26Å; R505-Y588 HydrophobicContact CB-CD1 4.35Å; R505-Y588 HydrophobicContact CB-CD2 4.29Å; R505-Y588 HydrophobicContact CB-CE1 4Å; R505-Y588 HydrophobicContact CB-CE2 3.94Å; R505-Y588 HydrophobicContact CB-CG 4.48Å; R505-Y588 HydrophobicContact CG-CD1 3.87Å; R505-Y588 HydrophobicContact CG-CD2 4.06Å; R505-Y588 HydrophobicContact CG-CE1 4.03Å; R505-Y588 HydrophobicContact CG-CE2 4.21Å; R505-Y588 HydrophobicContact CG-CG 3.87Å; L506-Y588 PolarHBondContact N-OH 2.93Å; F507-Y588 WeakPolarHBondContact CB-OH 3.41Å; F507-Y588 PolarHBondContact N-OH 3.45Å; F507-Y588 VanDerWaalsContact N-OH 3.07Å; F519-Y588 AromaticContact CE2-CD1 3.99Å; F519-Y588 HydrophobicContact CE2-CD1 3.99Å; F519-Y588 AromaticContact CE2-CE1 3.5Å; F519-Y588 HydrophobicContact CE2-CE1 3.5Å; F519-Y588 VanDerWaalsContact CE2-CE1 3.5Å; F519-Y588 HydrophobicContact CE2-CE2 4.21Å; F519-Y588 AromaticContact CE2-CZ 3.63Å; F519-Y588 AromaticContact CZ-CD1 3.71Å; F519-Y588 HydrophobicContact CZ-CD1 3.71Å; F519-Y588 AromaticContact CZ-CE1 3.72Å; F519-Y588 HydrophobicContact CZ-CE1 3.72Å; F519-Y588 HydrophobicContact CZ-CG 4.17Å; N582-Y588 WeakPolarHBondContact OD1-CE2 3.44Å; N582-Y588 PolarHBondContact OD1-OH 2.79Å; P583-Y588 HydrophobicContact CB-CD2 4.14Å; P583-Y588 HydrophobicContact CB-CE2 3.94Å; P583-Y588 HydrophobicContact CG-CE2 4.14Å; P583-Y588 WeakPolarHBondContact O-CD2 3.46Å; P583-Y588 VanDerWaalsContact O-CE2 3.29Å; P583-Y588 WeakPolarHBondContact O-CE2 3.29Å; P584-Y588 PolarHBondContact O-N 3.14Å; Y585-Y588 PolarHBondContact O-N 3.26Å; Y588-M592 WeakPolarHBondContact O-CB 3.27Å; Y588-M592 PolarHBondContact O-N 2.69Å
589	I	97.5	Very high	96.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.4	-40.7	-177.1	-57.6	-48.8	0	0	0	111.2	Y585 M592 Y593 L613 P615 C628 M632	Y585-I589 HydrophobicContact CD1-CG1 3.78Å; Y585-I589 HydrophobicContact CE1-CB 4.45Å; Y585-I589 HydrophobicContact CE1-CD1 4.25Å; Y585-I589 HydrophobicContact CE1-CG1 3.37Å; Y585-I589 HydrophobicContact CE2-CD1 4.24Å; Y585-I589 HydrophobicContact CE2-CG1 4.16Å; Y585-I589 HydrophobicContact CG-CG1 4.33Å; Y585-I589 WeakPolarHBondContact O-CG1 3.27Å; Y585-I589 PolarHBondContact O-N 2.78Å; I589-M592 PolarHBondContact O-N 3.09Å; I589-Y593 WeakPolarHBondContact O-CB 3.37Å; I589-Y593 PolarHBondContact O-N 2.82Å; I589-L613 HydrophobicContact CG2-CD2 4Å; I589-P615 HydrophobicContact CD1-CB 4Å; I589-C628 HydrophobicContact CB-CB 4.49Å; I589-C628 HydrophobicContact CG2-CB 4.34Å; I589-M632 HydrophobicContact CB-CE 4.11Å; I589-M632 HydrophobicContact CG2-CB 4.21Å; I589-M632 HydrophobicContact CG2-CE 3.58Å; I589-M632 HydrophobicContact CG2-SD 4.2Å
590	Y	97.6	Very high	96.4	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.02	9%	0.091	C	C	.	.	H	α-helix	trans	-59.6	-52.4	176.4	168.4	-99.9	0	0	0	112.2	P279 M281 F284 F567 A586 M592 Y593 A594	P279-Y590 WeakPolarHBondContact O-CE2 3.5Å; P279-Y590 PolarHBondContact O-OH 3.26Å; M281-Y590 HydrophobicContact CB-CE1 4.08Å; M281-Y590 HydrophobicContact CE-CE1 4.44Å; M281-Y590 PolarHBondContact N-OH 2.96Å; F284-Y590 HydrophobicContact CB-CD2 3.71Å; F284-Y590 HydrophobicContact CB-CE2 3.83Å; F284-Y590 AromaticContact CD1-CD2 3.36Å; F284-Y590 HydrophobicContact CD1-CD2 3.36Å; F284-Y590 HydrophobicContact CD1-CE2 4.22Å; F284-Y590 AromaticContact CD1-CG 3.65Å; F284-Y590 HydrophobicContact CD1-CG 3.65Å; F284-Y590 HydrophobicContact CE1-CD2 4.18Å; F284-Y590 HydrophobicContact CE1-CG 4.12Å; F284-Y590 AromaticContact CG-CD2 3.59Å; F284-Y590 HydrophobicContact CG-CD2 3.59Å; F284-Y590 HydrophobicContact CG-CE2 4.25Å; F284-Y590 HydrophobicContact CG-CG 4.34Å; F567-Y590 HydrophobicContact CZ-CD1 4.49Å; A586-Y590 VanDerWaalsContact O-CB 3.24Å; A586-Y590 WeakPolarHBondContact O-CB 3.26Å; A586-Y590 PolarHBondContact O-N 2.87Å; Y590-M592 VanDerWaalsContact C-N 3.32Å; Y590-M592 PolarHBondContact O-N 2.76Å; Y590-Y593 PolarHBondContact O-N 2.82Å; Y590-A594 WeakPolarHBondContact O-CB 3.38Å; Y590-A594 PolarHBondContact O-N 2.89Å
591	Y	97.9	Very high	96.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-69.8	-29.5	-179	-79.5	-67.7	0	0	0	112.9	N259 G260 V261 M281 L523 P574 Y587 N595	N259-Y591 VanDerWaalsContact O-CE1 3.27Å; N259-Y591 WeakPolarHBondContact O-CE1 3.31Å; N259-Y591 PolarHBondContact O-OH 3.28Å; N259-Y591 VanDerWaalsContact O-OH 3.12Å; G260-Y591 WeakPolarHBondContact O-CD1 3.39Å; V261-Y591 HydrophobicContact CG2-CD1 4.35Å; V261-Y591 HydrophobicContact CG2-CE1 4.28Å; M281-Y591 HydrophobicContact CE-CE2 3.67Å; M281-Y591 WeakPolarHBondContact CE-OH 3.35Å; L523-Y591 HydrophobicContact CD1-CD1 4.05Å; L523-Y591 HydrophobicContact CD1-CG 4.02Å; P574-Y591 VanDerWaalsContact CD-CZ 3.45Å; P574-Y591 VanDerWaalsContact CD-OH 3.29Å; P574-Y591 WeakPolarHBondContact CD-OH 3.49Å; P574-Y591 HydrophobicContact CG-CD1 3.99Å; P574-Y591 HydrophobicContact CG-CD2 3.96Å; P574-Y591 HydrophobicContact CG-CE1 3.66Å; P574-Y591 HydrophobicContact CG-CE2 3.62Å; P574-Y591 HydrophobicContact CG-CG 4.14Å; P574-Y591 VanDerWaalsContact CG-CZ 3.45Å; Y587-Y591 AromaticContact CD1-CD2 3.56Å; Y587-Y591 HydrophobicContact CD1-CD2 3.56Å; Y587-Y591 AromaticContact CD1-CE2 3.9Å; Y587-Y591 HydrophobicContact CD1-CE2 3.9Å; Y587-Y591 AromaticContact CE1-CD2 3.38Å; Y587-Y591 HydrophobicContact CE1-CD2 3.38Å; Y587-Y591 AromaticContact CE1-CE2 3.42Å; Y587-Y591 HydrophobicContact CE1-CE2 3.42Å; Y587-Y591 VanDerWaalsContact CE1-CE2 3.42Å; Y587-Y591 HydrophobicContact CE2-CE2 4.12Å; Y587-Y591 HydrophobicContact CG-CD2 4.3Å; Y587-Y591 HydrophobicContact CG-CE2 4.42Å; Y587-Y591 AromaticContact CZ-CE2 3.53Å; Y587-Y591 WeakPolarHBondContact O-CD2 3.43Å; Y587-Y591 PolarHBondContact O-N 3Å; Y587-Y591 VanDerWaalsContact O-N 3.13Å; Y591-N595 WeakPolarHBondContact O-CB 3.46Å; Y591-N595 PolarHBondContact O-N 2.89Å; Y591-N595 PolarHBondContact O-ND2 2.96Å
592	M	98.1	Very high	97	Very high	6 Å²	6	6.2 Å²	6.2	3%	0.03	3%	0.032	C	C	.	.	H	α-helix	trans	-67	-45.9	171.3	-168.8	178.8	-58.2	0	0	111.3	I503 F527 F553 Y588 I589 Y590 M596 L613	I503-M592 HydrophobicContact CB-CE 3.79Å; I503-M592 HydrophobicContact CD1-CE 3.64Å; I503-M592 HydrophobicContact CD1-SD 4.07Å; I503-M592 HydrophobicContact CG1-CE 4.32Å; I503-M592 HydrophobicContact CG2-CE 3.96Å; F527-M592 HydrophobicContact CZ-CB 4.46Å; F527-M592 HydrophobicContact CZ-CG 4.05Å; F553-M592 HydrophobicContact CB-CG 4.46Å; F553-M592 HydrophobicContact CB-SD 3.93Å; Y588-M592 WeakPolarHBondContact O-CB 3.27Å; Y588-M592 PolarHBondContact O-N 2.69Å; I589-M592 PolarHBondContact O-N 3.09Å; Y590-M592 VanDerWaalsContact C-N 3.32Å; Y590-M592 PolarHBondContact O-N 2.76Å; M592-M596 WeakPolarHBondContact O-CB 3.38Å; M592-M596 PolarHBondContact O-N 3.03Å; M592-L613 HydrophobicContact CG-CD1 4.12Å; M592-L613 HydrophobicContact SD-CD1 3.57Å; M592-L613 VanDerWaalsContact SD-CD1 3.57Å
593	Y	98.5	Very high	97.2	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-63.8	-47.3	178.5	171.7	-91	0	0	0	112.7	Y194 S198 P279 I589 Y590 M596 T597 L613 M632	Y194-Y593 WeakPolarHBondContact CA-OH 3.28Å; Y194-Y593 WeakPolarHBondContact CB-OH 3.41Å; Y194-Y593 AromaticContact CD1-CE1 3.81Å; Y194-Y593 HydrophobicContact CD1-CE1 3.81Å; Y194-Y593 HydrophobicContact CD1-CE2 4.3Å; Y194-Y593 AromaticContact CD1-CZ 3.65Å; Y194-Y593 HydrophobicContact CE1-CE1 4.25Å; Y194-Y593 PolarHBondContact O-OH 2.69Å; S198-Y593 VanDerWaalsContact CB-CE2 3.47Å; S198-Y593 WeakPolarHBondContact OG-CE2 3.32Å; P279-Y593 HydrophobicContact CG-CD1 4.42Å; P279-Y593 HydrophobicContact CG-CE1 3.7Å; I589-Y593 WeakPolarHBondContact O-CB 3.37Å; I589-Y593 PolarHBondContact O-N 2.82Å; Y590-Y593 PolarHBondContact O-N 2.82Å; Y593-M596 PolarHBondContact O-N 3.22Å; Y593-T597 VanDerWaalsContact O-CB 3.31Å; Y593-T597 WeakPolarHBondContact O-CB 3.32Å; Y593-T597 PolarHBondContact O-N 3.07Å; Y593-T597 PolarHBondContact O-OG1 3.09Å; Y593-L613 HydrophobicContact CD2-CD2 4.19Å; Y593-M632 HydrophobicContact CD1-CG 3.95Å; Y593-M632 HydrophobicContact CD1-SD 3.98Å; Y593-M632 HydrophobicContact CD2-CB 3.5Å; Y593-M632 VanDerWaalsContact CD2-CB 3.5Å; Y593-M632 HydrophobicContact CD2-CG 3.76Å; Y593-M632 VanDerWaalsContact CD2-O 3.26Å; Y593-M632 WeakPolarHBondContact CD2-O 3.14Å; Y593-M632 HydrophobicContact CD2-SD 4.5Å; Y593-M632 HydrophobicContact CE1-CG 4.37Å; Y593-M632 HydrophobicContact CE2-CB 4.06Å; Y593-M632 HydrophobicContact CE2-CG 4.16Å; Y593-M632 HydrophobicContact CG-CB 3.78Å; Y593-M632 HydrophobicContact CG-CG 3.64Å; Y593-M632 HydrophobicContact CG-SD 3.81Å
594	A	98.2	Very high	97.2	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63.8	-47.2	-178.1	0	0	0	0	0	111.4	V261 Y278 Y590 T597 V598	V261-A594 HydrophobicContact CG1-CB 4.38Å; V261-A594 HydrophobicContact CG2-CB 3.81Å; Y278-A594 HydrophobicContact CD2-CB 4.05Å; Y590-A594 WeakPolarHBondContact O-CB 3.38Å; Y590-A594 PolarHBondContact O-N 2.89Å; A594-T597 WeakPolarHBondContact O-CB 3.42Å; A594-T597 PolarHBondContact O-N 3.22Å; A594-V598 PolarHBondContact O-N 3.14Å; A594-V598 VanDerWaalsContact O-N 3.1Å
595	N	98.4	Very high	97.3	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-67.9	-39.5	177.1	-74.4	-63.9	0	0	0	112.8	G260 V261 F262 F527 Y591 T597 V598 L599	G260-N595 PolarHBondContact O-ND2 2.9Å; V261-N595 VanDerWaalsContact CA-OD1 3.32Å; V261-N595 WeakPolarHBondContact CA-OD1 3.4Å; F262-N595 VanDerWaalsContact CD2-OD1 3.28Å; F262-N595 WeakPolarHBondContact CD2-OD1 3.41Å; F262-N595 PolarHBondContact N-OD1 3.38Å; F527-N595 HydrophobicContact CB-CB 4.42Å; F527-N595 HydrophobicContact CD1-CB 3.7Å; F527-N595 HydrophobicContact CD2-CB 3.61Å; F527-N595 HydrophobicContact CE1-CB 3.74Å; F527-N595 HydrophobicContact CE2-CB 3.65Å; F527-N595 HydrophobicContact CG-CB 3.64Å; F527-N595 HydrophobicContact CZ-CB 3.71Å; Y591-N595 WeakPolarHBondContact O-CB 3.46Å; Y591-N595 PolarHBondContact O-N 2.89Å; Y591-N595 PolarHBondContact O-ND2 2.96Å; N595-T597 VanDerWaalsContact C-N 3.28Å; N595-T597 PolarHBondContact O-N 2.87Å; N595-V598 PolarHBondContact O-N 3.07Å; N595-L599 WeakPolarHBondContact O-CB 3.45Å; N595-L599 PolarHBondContact O-N 2.83Å
596	M	98.3	Very high	97.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.9	-38.7	172.1	-176	-167.6	75	0	0	111.5	Q200 F553 M592 Y593 L599 N600 F611 V612 L613	Q200-M596 HydrophobicContact CG-CE 4.33Å; F553-M596 HydrophobicContact CD2-CB 4.46Å; F553-M596 HydrophobicContact CD2-CG 3.96Å; F553-M596 HydrophobicContact CD2-SD 3.92Å; F553-M596 HydrophobicContact CE2-CG 4.05Å; M592-M596 WeakPolarHBondContact O-CB 3.38Å; M592-M596 PolarHBondContact O-N 3.03Å; Y593-M596 PolarHBondContact O-N 3.22Å; M596-L599 PolarHBondContact O-N 2.88Å; M596-N600 VanDerWaalsContact O-CB 3.25Å; M596-N600 WeakPolarHBondContact O-CB 3.32Å; M596-N600 PolarHBondContact O-N 3.29Å; M596-F611 HydrophobicContact CG-CB 4.32Å; M596-F611 HydrophobicContact SD-CB 4.4Å; M596-V612 VanDerWaalsContact SD-C 3.58Å; M596-L613 HydrophobicContact CE-CB 3.76Å; M596-L613 HydrophobicContact SD-CB 3.89Å
597	T	98.2	Very high	97.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.6	-52	178.6	-64.6	0	0	0	0	111.3	M197 S198 E277 Y593 A594 N595 L599 N600 K601	M197-T597 HydrophobicContact CB-CG2 4.49Å; M197-T597 WeakPolarHBondContact O-CG2 3.37Å; S198-T597 WeakPolarHBondContact CB-OG1 3.5Å; E277-T597 WeakPolarHBondContact O-CG2 3.48Å; Y593-T597 VanDerWaalsContact O-CB 3.31Å; Y593-T597 WeakPolarHBondContact O-CB 3.32Å; Y593-T597 PolarHBondContact O-N 3.07Å; Y593-T597 PolarHBondContact O-OG1 3.09Å; A594-T597 WeakPolarHBondContact O-CB 3.42Å; A594-T597 PolarHBondContact O-N 3.22Å; N595-T597 VanDerWaalsContact C-N 3.28Å; N595-T597 PolarHBondContact O-N 2.87Å; T597-L599 VanDerWaalsContact C-N 3.35Å; T597-L599 PolarHBondContact O-N 3.22Å; T597-N600 PolarHBondContact O-N 3.17Å; T597-K601 WeakPolarHBondContact O-CG 3.31Å; T597-K601 PolarHBondContact O-N 2.88Å
598	V	98.1	Very high	97.1	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.024	10%	0.103	C	C	.	.	H	α-helix	trans	-64.2	-40.8	177.8	-178.8	0	0	0	0	111.5	V261 F262 I264 Y276 Y278 F531 A594 N595 N600 K601 F602	V261-V598 HydrophobicContact CG1-CG2 3.99Å; F262-V598 WeakPolarHBondContact O-CG1 3.5Å; I264-V598 HydrophobicContact CD1-CG1 4.27Å; Y276-V598 HydrophobicContact CD2-CG1 3.88Å; Y276-V598 HydrophobicContact CG-CG1 4.42Å; Y278-V598 HydrophobicContact CD1-CG2 3.53Å; Y278-V598 HydrophobicContact CE1-CG2 4.09Å; Y278-V598 HydrophobicContact CG-CG2 4.18Å; F531-V598 HydrophobicContact CE1-CG1 4.11Å; F531-V598 HydrophobicContact CZ-CB 4.29Å; F531-V598 HydrophobicContact CZ-CG1 4.23Å; A594-V598 PolarHBondContact O-N 3.14Å; A594-V598 VanDerWaalsContact O-N 3.1Å; N595-V598 PolarHBondContact O-N 3.07Å; V598-N600 PolarHBondContact O-N 3.09Å; V598-K601 PolarHBondContact O-N 2.91Å; V598-F602 WeakPolarHBondContact O-CB 3.43Å; V598-F602 PolarHBondContact O-N 2.8Å
599	L	98.1	Very high	97	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.1	-42.5	174.9	-179.2	62.9	0	0	0	111.9	F527 L530 F531 N595 M596 T597 F602 R603 F611	F527-L599 HydrophobicContact CD1-CD2 4.45Å; L530-L599 HydrophobicContact CB-CD1 4.1Å; L530-L599 HydrophobicContact CB-CD2 3.7Å; L530-L599 HydrophobicContact CD1-CD2 3.67Å; L530-L599 HydrophobicContact CG-CD2 4.36Å; F531-L599 HydrophobicContact CD1-CD1 3.88Å; F531-L599 HydrophobicContact CD2-CD1 4.31Å; F531-L599 HydrophobicContact CE1-CB 3.93Å; F531-L599 HydrophobicContact CE1-CD1 3.96Å; F531-L599 HydrophobicContact CE2-CB 4.12Å; F531-L599 HydrophobicContact CE2-CD1 4.37Å; F531-L599 HydrophobicContact CG-CD1 4.05Å; F531-L599 HydrophobicContact CZ-CB 3.61Å; F531-L599 HydrophobicContact CZ-CD1 4.21Å; F531-L599 HydrophobicContact CZ-CG 4.48Å; N595-L599 WeakPolarHBondContact O-CB 3.45Å; N595-L599 PolarHBondContact O-N 2.83Å; M596-L599 PolarHBondContact O-N 2.88Å; T597-L599 VanDerWaalsContact C-N 3.35Å; T597-L599 PolarHBondContact O-N 3.22Å; L599-F602 PolarHBondContact O-N 2.78Å; L599-R603 HydrophobicContact CD1-CG 4.1Å; L599-R603 HydrophobicContact CG-CG 4.35Å; L599-R603 WeakPolarHBondContact O-CB 3.2Å; L599-R603 VanDerWaalsContact O-CG 3.24Å; L599-R603 WeakPolarHBondContact O-CG 3.42Å; L599-R603 PolarHBondContact O-N 2.76Å; L599-F611 HydrophobicContact CD2-CD2 4.09Å; L599-F611 HydrophobicContact CD2-CE2 3.96Å
600	N	98	Very high	97	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.4	-46.7	178.1	-83.3	-8.7	0	0	0	111.5	S198 M596 T597 V598 F602 R603 Q604 T610 F611	S198-N600 PolarHBondContact O-ND2 3.04Å; M596-N600 VanDerWaalsContact O-CB 3.25Å; M596-N600 WeakPolarHBondContact O-CB 3.32Å; M596-N600 PolarHBondContact O-N 3.29Å; T597-N600 PolarHBondContact O-N 3.17Å; V598-N600 PolarHBondContact O-N 3.09Å; N600-F602 VanDerWaalsContact C-N 3.32Å; N600-F602 PolarHBondContact O-N 3.12Å; N600-R603 PolarHBondContact O-N 3.2Å; N600-Q604 VanDerWaalsContact O-CB 3.27Å; N600-Q604 WeakPolarHBondContact O-CB 3.38Å; N600-Q604 PolarHBondContact O-N 3.04Å; N600-T610 HydrophobicContact CB-CG2 3.98Å; N600-T610 WeakPolarHBondContact O-CG2 3.09Å; N600-T610 WeakPolarHBondContact OD1-CB 3.2Å; N600-F611 PolarHBondContact ND2-O 3.4Å; N600-F611 PolarHBondContact OD1-N 3.45Å; N600-F611 PolarHBondContact OD1-O 3.32Å
601	K	97.3	Very high	97	Very high	41 Å²	41	23.6 Å²	23.6	18%	0.178	13%	0.127	C	C	.	.	H	α-helix	trans	-62.4	-40.1	177.8	-63.7	-66.8	176	-164.6	0	112.1	M197 D199 Y276 T597 V598 Q604 S605	M197-K601 WeakPolarHBondContact O-CE 3.49Å; M197-K601 PolarHBondContact O-NZ 2.68Å; D199-K601 IonicContact OD1-NZ 2.72Å; D199-K601 PolarHBondContact OD1-NZ 3.12Å; D199-K601 VanDerWaalsContact OD2-CD 3.32Å; D199-K601 WeakPolarHBondContact OD2-CD 3.27Å; D199-K601 WeakPolarHBondContact OD2-CE 3.35Å; D199-K601 IonicContact OD2-NZ 3.25Å; D199-K601 PolarHBondContact OD2-NZ 3.36Å; Y276-K601 HydrophobicContact CD1-CB 3.26Å; Y276-K601 HydrophobicContact CD1-CG 4.07Å; Y276-K601 HydrophobicContact CD2-CB 4.49Å; Y276-K601 HydrophobicContact CE1-CB 3.67Å; Y276-K601 HydrophobicContact CG-CB 3.69Å; Y276-K601 HydrophobicContact CG-CG 4.43Å; T597-K601 WeakPolarHBondContact O-CG 3.31Å; T597-K601 PolarHBondContact O-N 2.88Å; V598-K601 PolarHBondContact O-N 2.91Å; K601-Q604 PolarHBondContact O-N 3.01Å; K601-S605 PolarHBondContact O-N 2.94Å; K601-S605 PolarHBondContact O-OG 2.67Å
602	F	97.3	Very high	97	Very high	1 Å²	1	25 Å²	25	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-67	-43.2	174.9	-178.4	-142.3	0	0	0	112.7	F253 I264 Y276 F531 T534 A535 V598 L599 N600 Q604 S605 R606	F253-F602 AromaticContact CD2-CE2 3.65Å; F253-F602 HydrophobicContact CD2-CE2 3.65Å; F253-F602 AromaticContact CD2-CZ 3.55Å; F253-F602 HydrophobicContact CD2-CZ 3.55Å; F253-F602 AromaticContact CE2-CE2 3.63Å; F253-F602 HydrophobicContact CE2-CE2 3.63Å; F253-F602 AromaticContact CE2-CZ 3.99Å; F253-F602 HydrophobicContact CE2-CZ 3.99Å; F253-F602 HydrophobicContact CG-CE2 4.34Å; F253-F602 HydrophobicContact CG-CZ 4.24Å; F253-F602 HydrophobicContact CZ-CE2 4.35Å; I264-F602 HydrophobicContact CD1-CB 3.59Å; I264-F602 HydrophobicContact CD1-CD1 3.6Å; I264-F602 HydrophobicContact CD1-CD2 3.98Å; I264-F602 HydrophobicContact CD1-CE1 4.21Å; I264-F602 HydrophobicContact CD1-CG 3.46Å; I264-F602 VanDerWaalsContact CD1-CG 3.46Å; Y276-F602 HydrophobicContact CE2-CB 4.05Å; F531-F602 AromaticContact CD1-CD1 3.85Å; F531-F602 HydrophobicContact CD1-CD1 3.85Å; F531-F602 HydrophobicContact CD1-CE1 4.41Å; F531-F602 HydrophobicContact CE1-CD1 4.4Å; T534-F602 HydrophobicContact CG2-CD1 3.4Å; T534-F602 VanDerWaalsContact CG2-CD1 3.4Å; T534-F602 HydrophobicContact CG2-CD2 4.43Å; T534-F602 HydrophobicContact CG2-CE1 3.51Å; T534-F602 HydrophobicContact CG2-CG 3.92Å; T534-F602 HydrophobicContact CG2-CZ 4.08Å; A535-F602 HydrophobicContact CB-CE1 4.15Å; A535-F602 HydrophobicContact CB-CZ 3.87Å; V598-F602 WeakPolarHBondContact O-CB 3.43Å; V598-F602 PolarHBondContact O-N 2.8Å; L599-F602 PolarHBondContact O-N 2.78Å; N600-F602 VanDerWaalsContact C-N 3.32Å; N600-F602 PolarHBondContact O-N 3.12Å; F602-Q604 VanDerWaalsContact C-N 3.32Å; F602-Q604 PolarHBondContact O-N 2.75Å; F602-S605 PolarHBondContact O-N 3.36Å; F602-S605 PolarHBondContact O-OG 2.81Å; F602-R606 HydrophobicContact CD2-CG 4.15Å; F602-R606 HydrophobicContact CE2-CG 3.89Å; F602-R606 HydrophobicContact CZ-CG 4.48Å; F602-R606 WeakPolarHBondContact O-CG 3.35Å; F602-R606 PolarHBondContact O-N 2.75Å; F602-R606 VanDerWaalsContact O-N 3.08Å
603	R	97	Very high	97.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.7	-40.4	174.8	-73.3	-178.8	73.9	72.2	1.6	111.3	T534 L599 N600 R606 N607 M608 N609	T534-R603 HydrophobicContact CG2-CB 4.31Å; T534-R603 HydrophobicContact CG2-CG 3.47Å; T534-R603 VanDerWaalsContact CG2-CG 3.47Å; T534-R603 WeakPolarHBondContact OG1-CG 3.43Å; T534-R603 PolarHBondContact OG1-NH1 3.41Å; L599-R603 HydrophobicContact CD1-CG 4.1Å; L599-R603 HydrophobicContact CG-CG 4.35Å; L599-R603 WeakPolarHBondContact O-CB 3.2Å; L599-R603 VanDerWaalsContact O-CG 3.24Å; L599-R603 WeakPolarHBondContact O-CG 3.42Å; L599-R603 PolarHBondContact O-N 2.76Å; N600-R603 PolarHBondContact O-N 3.2Å; R603-R606 CarbonylContact O-C 3.59Å; R603-R606 PolarHBondContact O-N 3.09Å; R603-N607 PolarHBondContact O-N 2.6Å; R603-N607 VanDerWaalsContact O-N 3.16Å; R603-M608 HydrophobicContact CB-CB 4.08Å; R603-M608 HydrophobicContact CG-CB 4.48Å; R603-M608 WeakPolarHBondContact O-CB 3.4Å; R603-M608 PolarHBondContact O-N 2.85Å; R603-N609 PolarHBondContact NE-O 3.45Å; R603-N609 PolarHBondContact NH2-O 3.28Å; R603-N609 PolarHBondContact NH2-OD1 2.95Å
604	Q	95.2	Very high	97.1	Very high	91 Å²	91	25 Å²	25	43%	0.425	14%	0.135	S	C	.	.	H	α-helix	trans	-64.2	-45.1	176.5	-174.2	-178.1	53.7	0	0	112.2	N600 K601 F602 R606 N607 T610	N600-Q604 VanDerWaalsContact O-CB 3.27Å; N600-Q604 WeakPolarHBondContact O-CB 3.38Å; N600-Q604 PolarHBondContact O-N 3.04Å; K601-Q604 PolarHBondContact O-N 3.01Å; F602-Q604 VanDerWaalsContact C-N 3.32Å; F602-Q604 PolarHBondContact O-N 2.75Å; Q604-R606 PolarHBondContact O-N 2.94Å; Q604-N607 PolarHBondContact O-N 3.38Å; Q604-T610 HydrophobicContact CB-CG2 4.35Å
605	S	95	Very high	97.1	Very high	67 Å²	67	25 Å²	25	47%	0.469	14%	0.135	S	C	.	.	H	α-helix	trans	-64.7	-27.2	176.1	64.3	0	0	0	0	112.5	Y276 K601 F602	Y276-S605 PolarHBondContact OH-OG 3.22Å; K601-S605 PolarHBondContact O-N 2.94Å; K601-S605 PolarHBondContact O-OG 2.67Å; F602-S605 PolarHBondContact O-N 3.36Å; F602-S605 PolarHBondContact O-OG 2.81Å
606	R	94.4	Very high	97.1	Very high	19 Å²	19	25.6 Å²	25.6	7%	0.072	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	6.8	169.3	-62.2	-50.4	-42.7	-82.5	11.6	115.3	N249 E251 T534 A535 F602 R603 Q604 M608	N249-R606 VanDerWaalsContact O-CZ 3.31Å; N249-R606 PolarHBondContact O-NH1 2.86Å; N249-R606 PolarHBondContact O-NH2 2.75Å; E251-R606 VanDerWaalsContact CD-CZ 3.43Å; E251-R606 IonicContact OE1-CZ 2.83Å; E251-R606 IonicContact OE1-NE 3.91Å; E251-R606 PolarHBondContact OE1-NE 3.15Å; E251-R606 VanDerWaalsContact OE1-NE 3.13Å; E251-R606 IonicContact OE1-NH1 2.86Å; E251-R606 IonicContact OE1-NH2 2.65Å; E251-R606 PolarHBondContact OE1-NH2 3.47Å; E251-R606 IonicContact OE2-CZ 2.78Å; E251-R606 IonicContact OE2-NE 3.97Å; T534-R606 HydrophobicContact CG2-CG 4.19Å; T534-R606 PolarHBondContact O-NH1 3.03Å; A535-R606 PolarHBondContact O-NH1 3.44Å; F602-R606 HydrophobicContact CD2-CG 4.15Å; F602-R606 HydrophobicContact CE2-CG 3.89Å; F602-R606 HydrophobicContact CZ-CG 4.48Å; F602-R606 WeakPolarHBondContact O-CG 3.35Å; F602-R606 PolarHBondContact O-N 2.75Å; F602-R606 VanDerWaalsContact O-N 3.08Å; R603-R606 CarbonylContact O-C 3.59Å; R603-R606 PolarHBondContact O-N 3.09Å; Q604-R606 PolarHBondContact O-N 2.94Å; R606-M608 HydrophobicContact CB-CE 4.27Å; R606-M608 HydrophobicContact CB-CG 4.14Å; R606-M608 PolarHBondContact O-N 2.79Å
607	N	94.6	Very high	97	Very high	155 Å²	155	25.6 Å²	25.6	83%	0.829	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	29.9	-174.9	-63.5	-68.8	0	0	0	115.2	R603 Q604	R603-N607 PolarHBondContact O-N 2.6Å; R603-N607 VanDerWaalsContact O-N 3.16Å; Q604-N607 PolarHBondContact O-N 3.38Å
608	M	95.8	Very high	97	Very high	17 Å²	17	25.6 Å²	25.6	8%	0.084	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-95.8	163.9	174.5	-58.4	-172.6	-175.4	0	0	112	P248 T534 P537 R603 R606	P248-M608 HydrophobicContact CB-CE 4.08Å; P248-M608 HydrophobicContact CG-CE 3.79Å; P248-M608 HydrophobicContact CG-CG 4.27Å; T534-M608 HydrophobicContact CG2-SD 4.01Å; T534-M608 VanDerWaalsContact O-CE 3.3Å; T534-M608 WeakPolarHBondContact O-CE 3.26Å; P537-M608 HydrophobicContact CB-CE 4.16Å; P537-M608 HydrophobicContact CG-CE 3.82Å; R603-M608 HydrophobicContact CB-CB 4.08Å; R603-M608 HydrophobicContact CG-CB 4.48Å; R603-M608 WeakPolarHBondContact O-CB 3.4Å; R603-M608 PolarHBondContact O-N 2.85Å; R606-M608 HydrophobicContact CB-CE 4.27Å; R606-M608 HydrophobicContact CB-CG 4.14Å; R606-M608 PolarHBondContact O-N 2.79Å
609	N	94.4	Very high	96.8	Very high	39 Å²	39	26.2 Å²	26.2	21%	0.209	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-65.9	146.1	174.8	70.2	-62	0	0	0	112.4	L547 Q548 V550 R603	L547-N609 PolarHBondContact O-ND2 2.83Å; Q548-N609 PolarHBondContact NE2-OD1 2.69Å; V550-N609 PolarHBondContact O-ND2 2.97Å; R603-N609 PolarHBondContact NE-O 3.45Å; R603-N609 PolarHBondContact NH2-O 3.28Å; R603-N609 PolarHBondContact NH2-OD1 2.95Å
610	T	96.9	Very high	96.6	Very high	54 Å²	54	26.7 Å²	26.7	33%	0.331	15%	0.145	S	C	.	.	P	Polyproline II helix	trans	-103.3	171.5	176.4	54.7	0	0	0	0	111.9	N600 Q604	N600-T610 HydrophobicContact CB-CG2 3.98Å; N600-T610 WeakPolarHBondContact O-CG2 3.09Å; N600-T610 WeakPolarHBondContact OD1-CB 3.2Å; Q604-T610 HydrophobicContact CB-CG2 4.35Å
611	F	98.1	Very high	96.3	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	16%	0.161	C	C	.	.			trans	-119.3	153.2	-176.9	-52	-61	0	0	0	111.3	L547 V550 F553 M596 L599 N600	L547-F611 HydrophobicContact CB-CZ 4.36Å; L547-F611 HydrophobicContact CD1-CZ 4.48Å; L547-F611 HydrophobicContact CD2-CE1 4.31Å; L547-F611 HydrophobicContact CD2-CZ 3.89Å; L547-F611 HydrophobicContact CG-CZ 4.46Å; V550-F611 HydrophobicContact CB-CE1 4.06Å; V550-F611 HydrophobicContact CG1-CD1 4.01Å; V550-F611 HydrophobicContact CG1-CE1 3.88Å; F553-F611 HydrophobicContact CD2-CB 4.03Å; F553-F611 HydrophobicContact CE2-CB 3.72Å; F553-F611 AromaticContact CE2-CD2 3.78Å; F553-F611 HydrophobicContact CE2-CD2 3.78Å; F553-F611 AromaticContact CE2-CG 3.83Å; F553-F611 HydrophobicContact CE2-CG 3.83Å; F553-F611 HydrophobicContact CZ-CD2 4.23Å; F553-F611 HydrophobicContact CZ-CG 4.45Å; M596-F611 HydrophobicContact CG-CB 4.32Å; M596-F611 HydrophobicContact SD-CB 4.4Å; L599-F611 HydrophobicContact CD2-CD2 4.09Å; L599-F611 HydrophobicContact CD2-CE2 3.96Å; N600-F611 PolarHBondContact ND2-O 3.4Å; N600-F611 PolarHBondContact OD1-N 3.45Å; N600-F611 PolarHBondContact OD1-O 3.32Å
612	V	97.9	Very high	96.2	Very high	31 Å²	31	28 Å²	28	19%	0.188	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	153.6	172.4	-62.2	0	0	0	0	111.7	Q200 I551 G552 F553 M596 R614 E634	Q200-V612 HydrophobicContact CG-CB 4.46Å; Q200-V612 HydrophobicContact CG-CG1 4.27Å; I551-V612 WeakPolarHBondContact O-CG2 3.08Å; I551-V612 PolarHBondContact O-N 3.18Å; I551-V612 VanDerWaalsContact O-N 3.13Å; G552-V612 CarbonylContact C-O 3.58Å; G552-V612 WeakPolarHBondContact CA-O 3.43Å; F553-V612 PolarHBondContact N-O 2.9Å; M596-V612 VanDerWaalsContact SD-C 3.58Å; V612-R614 HydrophobicContact CG2-CG 3.89Å; V612-E634 HydrophobicContact CB-CB 3.88Å; V612-E634 HydrophobicContact CB-CG 4.08Å; V612-E634 HydrophobicContact CG1-CB 4.41Å; V612-E634 HydrophobicContact CG1-CG 4.25Å; V612-E634 HydrophobicContact CG2-CB 4.42Å; V612-E634 HydrophobicContact CG2-CG 4.31Å
613	L	98.6	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.7	177.5	-177.3	54.5	0	0	0	109.5	F553 I589 M592 Y593 M596 M632 A633 E634	F553-L613 HydrophobicContact CB-CD1 4.3Å; I589-L613 HydrophobicContact CG2-CD2 4Å; M592-L613 HydrophobicContact CG-CD1 4.12Å; M592-L613 HydrophobicContact SD-CD1 3.57Å; M592-L613 VanDerWaalsContact SD-CD1 3.57Å; Y593-L613 HydrophobicContact CD2-CD2 4.19Å; M596-L613 HydrophobicContact CE-CB 3.76Å; M596-L613 HydrophobicContact SD-CB 3.89Å; L613-M632 HydrophobicContact CD2-CB 4.27Å; L613-A633 WeakPolarHBondContact O-CA 3.47Å; L613-E634 PolarHBondContact O-N 3.04Å
614	R	98.4	Very high	95.9	Very high	5 Å²	5	32.5 Å²	32.5	2%	0.019	19%	0.187	C	C	.	.			trans	-135	70.4	-176.3	-61.7	179.7	70.2	-167	0.8	110.5	E467 L500 F553 V612 E634 N635 M733	E467-R614 IonicContact OE1-NH1 2.74Å; E467-R614 PolarHBondContact OE1-NH1 3.48Å; E467-R614 IonicContact OE2-CZ 3.61Å; E467-R614 IonicContact OE2-NH1 2.8Å; E467-R614 PolarHBondContact OE2-NH1 2.93Å; E467-R614 IonicContact OE2-NH2 3.59Å; E467-R614 PolarHBondContact OE2-NH2 3.17Å; L500-R614 HydrophobicContact CD2-CB 3.9Å; F553-R614 PolarHBondContact O-N 3.46Å; V612-R614 HydrophobicContact CG2-CG 3.89Å; R614-E634 HydrophobicContact CG-CB 4.22Å; R614-N635 WeakPolarHBondContact CA-O 3.25Å; R614-N635 HydrophobicContact CG-CB 4.11Å; R614-N635 PolarHBondContact NE-ND2 2.68Å; R614-M733 PolarHBondContact NH1-O 3.38Å; R614-M733 PolarHBondContact NH2-O 3.24Å
615	P	98.5	Very high	95.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.168	C	C	.	.			trans	-79.4	156.4	-171.6	34.2	-33.8	0	0	0	112.1	D554 I589 C617 A633 S637	D554-P615 VanDerWaalsContact OD1-CA 3.25Å; D554-P615 WeakPolarHBondContact OD1-CA 3.44Å; I589-P615 HydrophobicContact CD1-CB 4Å; P615-C617 HydrophobicContact CG-CB 4.39Å; P615-C617 PolarHBondContact O-N 3.18Å; P615-A633 HydrophobicContact CG-CB 3.99Å; P615-S637 PolarHBondContact O-N 2.98Å
616	H	98.3	Very high	96.1	Very high	13 Å²	13	25.1 Å²	25.1	6%	0.06	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	126.5	153.4	-66.9	43	0	0	0	108.3	H347 H349 D554 S555 V556 Y585 H638	H347-H616 AromaticContact CD2-CE1 3.99Å; H347-H616 AromaticContact CE1-CD2 3.96Å; H347-H616 AromaticContact CE1-CE1 3.44Å; H347-H616 PolarHBondContact CE1-CE1 2.75Å; H347-H616 VanDerWaalsContact CE1-CE1 3.44Å; H347-H616 AromaticContact CE1-NE2 3.24Å; H347-H616 PolarHBondContact CE1-NE2 3.4Å; H347-H616 AromaticContact NE2-CE1 2.98Å; H347-H616 PolarHBondContact NE2-CE1 3.3Å; H347-H616 AromaticContact NE2-ND1 3.99Å; H347-H616 AromaticContact NE2-NE2 3.15Å; H347-H616 PolarHBondContact NE2-NE2 3.2Å; H347-H616 VanDerWaalsContact NE2-NE2 3.15Å; H349-H616 AromaticContact CE1-CE1 3.62Å; H349-H616 AromaticContact CE1-NE2 3.42Å; H349-H616 PolarHBondContact CE1-NE2 3.02Å; H349-H616 AromaticContact NE2-NE2 3.52Å; D554-H616 VanDerWaalsContact CG-ND1 3.31Å; D554-H616 IonicContact OD1-CE1 3.54Å; D554-H616 IonicContact OD1-CG 3.5Å; D554-H616 PolarHBondContact OD1-N 3.5Å; D554-H616 IonicContact OD1-ND1 2.79Å; D554-H616 PolarHBondContact OD1-ND1 3.1Å; D554-H616 IonicContact OD2-CE1 2.74Å; D554-H616 PolarHBondContact OD2-CE1 2.81Å; D554-H616 IonicContact OD2-ND1 3.39Å; D554-H616 PolarHBondContact OD2-ND1 3.02Å; S555-H616 WeakPolarHBondContact O-CB 3.4Å; S555-H616 PolarHBondContact O-N 2.95Å; V556-H616 VanDerWaalsContact CG1-CE1 3.42Å; V556-H616 WeakPolarHBondContact CG1-CE1 3.19Å; Y585-H616 WeakPolarHBondContact CE2-O 3.48Å; Y585-H616 PolarHBondContact OH-O 2.84Å; H616-H638 AromaticContact CD2-CD2 3.89Å; H616-H638 AromaticContact CD2-NE2 3.2Å; H616-H638 PolarHBondContact CD2-NE2 2.97Å; H616-H638 AromaticContact CG-NE2 3.79Å; H616-H638 AromaticContact NE2-NE2 3.71Å
617	C	97.7	Very high	96.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	112.1	-171.5	-167.7	0	0	0	0	112.4	E559 Y585 P615 H625 I636 S637 G639	E559-C617 VanDerWaalsContact OE1-CA 3.25Å; E559-C617 WeakPolarHBondContact OE1-CA 3.48Å; E559-C617 PolarHBondContact OE1-N 3.21Å; Y585-C617 WeakPolarHBondContact OH-CB 3.16Å; Y585-C617 PolarHBondContact OH-SG 2.92Å; P615-C617 HydrophobicContact CG-CB 4.39Å; P615-C617 PolarHBondContact O-N 3.18Å; C617-H625 PolarHBondContact SG-O 3.11Å; C617-I636 HydrophobicContact CB-CB 3.85Å; C617-I636 HydrophobicContact CB-CD1 4.43Å; C617-I636 HydrophobicContact CB-CG2 3.65Å; C617-S637 PolarHBondContact N-O 2.82Å; C617-G639 WeakPolarHBondContact O-CA 2.89Å; C617-G639 PolarHBondContact O-N 2.86Å
618	G	96.4	Very high	96.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	70.8	34.1	172.1	0	0	0	0	0	113	E559 G639 L640 L641	E559-G618 PolarHBondContact OE1-N 3.44Å; E559-G618 WeakPolarHBondContact OE2-CA 3.29Å; E559-G618 PolarHBondContact OE2-N 2.84Å; G618-G639 CarbonylContact O-C 3.46Å; G618-L640 PolarHBondContact O-N 2.84Å; G618-L641 WeakPolarHBondContact O-CG 3.37Å; G618-L641 PolarHBondContact O-N 3.48Å
619	E	95.6	Very high	96.5	Very high	16 Å²	16	16 Å²	16	8%	0.075	10%	0.099	C	C	.	.	S	Bend	trans	-66.6	-47.9	155.7	-167.8	171.6	-144.7	0	0	110	E559 H638 L640 N666 F670	E559-E619 WeakPolarHBondContact OE2-CA 3.5Å; E559-E619 PolarHBondContact OE2-N 2.95Å; E619-H638 HydrophobicContact CB-CB 3.57Å; E619-H638 HydrophobicContact CG-CB 3.91Å; E619-H638 IonicContact OE1-CE1 3.73Å; E619-H638 PolarHBondContact OE1-CE1 3.49Å; E619-H638 IonicContact OE1-CG 3.78Å; E619-H638 IonicContact OE1-ND1 3.13Å; E619-H638 PolarHBondContact OE1-ND1 3.29Å; E619-H638 IonicContact OE2-CE1 3.42Å; E619-H638 PolarHBondContact OE2-CE1 2.92Å; E619-H638 IonicContact OE2-ND1 3.79Å; E619-H638 IonicContact OE2-NE2 3.97Å; E619-L640 HydrophobicContact CG-CD1 3.82Å; E619-L640 HydrophobicContact CG-CG 4.46Å; E619-N666 PolarHBondContact OE1-ND2 3.33Å; E619-F670 HydrophobicContact CG-CD2 3.57Å; E619-F670 HydrophobicContact CG-CE2 3.75Å; E619-F670 HydrophobicContact CG-CG 4.35Å; E619-F670 WeakPolarHBondContact OE1-CD2 3.42Å; E619-F670 WeakPolarHBondContact OE2-CE2 3.11Å
620	A	93.2	Very high	96.7	Very high	11 Å²	11	14.2 Å²	14.2	9%	0.091	9%	0.089	C	C	.	.	S	Bend	trans	-136.7	-160.9	176.5	0	0	0	0	0	110.3	E559 L641 F670	E559-A620 HydrophobicContact CB-CB 3.96Å; E559-A620 PolarHBondContact OE2-N 3.24Å; A620-L641 WeakPolarHBondContact O-CD1 3.37Å; A620-F670 HydrophobicContact CB-CD1 4.17Å; A620-F670 HydrophobicContact CB-CE1 3.84Å; A620-F670 HydrophobicContact CB-CZ 4.29Å
621	G	92.4	Very high	96.7	Very high	34 Å²	34	11.6 Å²	11.6	35%	0.351	7%	0.073	S	C	.	.	S	Bend	trans	73.1	-167.8	174	0	0	0	0	0	117.1	E559 L641	E559-G621 WeakPolarHBondContact O-CA 2.97Å; E559-G621 PolarHBondContact O-N 3.35Å; G621-L641 WeakPolarHBondContact O-CD1 3.4Å
622	P	93.4	Very high	96.7	Very high	34 Å²	34	11.6 Å²	11.6	22%	0.221	7%	0.073	C	C	.	.			trans	-66.9	147	174.1	-22.1	34.6	0	0	0	113.9	E563 Q624 H625	E563-P622 HydrophobicContact CG-CG 4.13Å; P622-Q624 HydrophobicContact CB-CB 4.47Å; P622-Q624 VanDerWaalsContact CB-OE1 3.24Å; P622-Q624 PolarHBondContact O-N 2.97Å; P622-Q624 VanDerWaalsContact O-N 3.1Å; P622-H625 PolarHBondContact O-N 2.68Å; P622-H625 VanDerWaalsContact O-N 3.15Å
623	V	94.1	Very high	96.8	Very high	42 Å²	42	10.1 Å²	10.1	26%	0.255	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.4	178.3	-64.1	0	0	0	0	113.7	I295 H625 L626 V645	I295-V623 HydrophobicContact CD1-CG2 4.1Å; V623-H625 PolarHBondContact O-N 2.64Å; V623-L626 WeakPolarHBondContact O-CB 3.49Å; V623-L626 PolarHBondContact O-N 2.93Å; V623-L626 VanDerWaalsContact O-N 3.16Å; V623-V645 HydrophobicContact CB-CG2 3.86Å; V623-V645 HydrophobicContact CG1-CG2 3.55Å
624	Q	94.5	Very high	96.7	Very high	53 Å²	53	11.4 Å²	11.4	25%	0.248	7%	0.07	C	C	.	.	H	α-helix	trans	-59.8	-25.3	174.4	-71.2	83.6	-20.4	0	0	112.7	M288 P622 L626 V627 C628	M288-Q624 HydrophobicContact CE-CB 3.83Å; M288-Q624 HydrophobicContact CE-CG 4.08Å; P622-Q624 HydrophobicContact CB-CB 4.47Å; P622-Q624 VanDerWaalsContact CB-OE1 3.24Å; P622-Q624 PolarHBondContact O-N 2.97Å; P622-Q624 VanDerWaalsContact O-N 3.1Å; Q624-L626 VanDerWaalsContact C-N 3.29Å; Q624-L626 PolarHBondContact O-N 3.24Å; Q624-V627 WeakPolarHBondContact O-CB 3.33Å; Q624-V627 PolarHBondContact O-N 3.34Å; Q624-V627 VanDerWaalsContact O-N 3.12Å; Q624-C628 PolarHBondContact O-N 3.33Å; Q624-C628 VanDerWaalsContact O-N 3.14Å; Q624-C628 PolarHBondContact O-SG 3.45Å; Q624-C628 VanDerWaalsContact O-SG 3.33Å
625	H	96.6	Very high	96.7	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.019	7%	0.072	C	C	.	.	H	α-helix	trans	-57.2	-46.3	173.2	-64.9	-177.2	0	0	0	110.7	E563 Y585 C617 P622 V623 V627 C628 G629	E563-H625 IonicContact OE1-CD2 3.2Å; E563-H625 PolarHBondContact OE1-CD2 3.33Å; E563-H625 IonicContact OE1-CE1 3.04Å; E563-H625 IonicContact OE1-NE2 3.31Å; E563-H625 PolarHBondContact OE1-NE2 3.33Å; E563-H625 IonicContact OE2-NE2 3.63Å; Y585-H625 VanDerWaalsContact CB-CD2 3.46Å; Y585-H625 WeakPolarHBondContact CB-CD2 3.35Å; Y585-H625 WeakPolarHBondContact CB-NE2 3.22Å; Y585-H625 HydrophobicContact CD1-CB 3.92Å; Y585-H625 AromaticContact CD1-CD2 3.45Å; Y585-H625 VanDerWaalsContact CD1-CD2 3.45Å; Y585-H625 WeakPolarHBondContact CD1-CD2 3.32Å; Y585-H625 AromaticContact CD1-CG 3.69Å; Y585-H625 AromaticContact CD2-CE1 3.96Å; Y585-H625 AromaticContact CD2-ND1 3.95Å; Y585-H625 HydrophobicContact CE1-CB 3.74Å; Y585-H625 AromaticContact CE1-CG 3.98Å; Y585-H625 HydrophobicContact CG-CB 4.39Å; Y585-H625 AromaticContact CG-CD2 3.4Å; Y585-H625 VanDerWaalsContact CG-CD2 3.4Å; Y585-H625 AromaticContact CG-CE1 3.94Å; Y585-H625 AromaticContact CG-CG 3.72Å; Y585-H625 AromaticContact CG-NE2 3.55Å; C617-H625 PolarHBondContact SG-O 3.11Å; P622-H625 PolarHBondContact O-N 2.68Å; P622-H625 VanDerWaalsContact O-N 3.15Å; V623-H625 PolarHBondContact O-N 2.64Å; H625-V627 VanDerWaalsContact C-N 3.27Å; H625-V627 PolarHBondContact O-N 3.4Å; H625-C628 WeakPolarHBondContact O-CA 3.36Å; H625-C628 WeakPolarHBondContact O-CB 3.47Å; H625-C628 PolarHBondContact O-N 3.22Å; H625-C628 VanDerWaalsContact O-N 3.08Å; H625-G629 PolarHBondContact O-N 3.47Å
626	L	97.8	Very high	96.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-68.7	-21.7	178.7	-66.1	167.8	0	0	0	113.4	V623 Q624 F630 I636 L641 L642 L648 Y652	V623-L626 WeakPolarHBondContact O-CB 3.49Å; V623-L626 PolarHBondContact O-N 2.93Å; V623-L626 VanDerWaalsContact O-N 3.16Å; Q624-L626 VanDerWaalsContact C-N 3.29Å; Q624-L626 PolarHBondContact O-N 3.24Å; L626-F630 VanDerWaalsContact O-CB 3.27Å; L626-F630 WeakPolarHBondContact O-CB 3.31Å; L626-F630 PolarHBondContact O-N 2.96Å; L626-I636 HydrophobicContact CD2-CD1 3.86Å; L626-L641 HydrophobicContact CD1-CB 3.71Å; L626-L642 HydrophobicContact CB-CD2 4.44Å; L626-L642 HydrophobicContact CD1-CB 4.49Å; L626-L642 HydrophobicContact CD1-CD2 3.85Å; L626-L642 HydrophobicContact CD1-CG 3.8Å; L626-L642 HydrophobicContact CD2-CD1 4.41Å; L626-L642 HydrophobicContact CD2-CD2 4.13Å; L626-L642 HydrophobicContact CD2-CG 3.92Å; L626-L642 HydrophobicContact CG-CD2 4.38Å; L626-L642 HydrophobicContact CG-CG 4.45Å; L626-L648 HydrophobicContact CB-CD1 3.74Å; L626-Y652 PolarHBondContact O-OH 3.12Å
627	V	97.5	Very high	96.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-70.2	-44.6	169.1	176.7	0	0	0	0	110	M288 M291 I295 Q624 H625 G629 F630 L631 L648	M288-V627 HydrophobicContact CG-CG1 4.09Å; M291-V627 HydrophobicContact CB-CG1 3.45Å; M291-V627 VanDerWaalsContact CB-CG1 3.45Å; M291-V627 HydrophobicContact CB-CG2 4.5Å; M291-V627 HydrophobicContact CG-CG1 4.08Å; I295-V627 HydrophobicContact CD1-CG2 4.32Å; Q624-V627 WeakPolarHBondContact O-CB 3.33Å; Q624-V627 PolarHBondContact O-N 3.34Å; Q624-V627 VanDerWaalsContact O-N 3.12Å; H625-V627 VanDerWaalsContact C-N 3.27Å; H625-V627 PolarHBondContact O-N 3.4Å; V627-G629 PolarHBondContact O-N 3Å; V627-F630 PolarHBondContact O-N 2.79Å; V627-L631 HydrophobicContact CG1-CD1 4.17Å; V627-L631 WeakPolarHBondContact O-CG 3.25Å; V627-L631 PolarHBondContact O-N 2.76Å; V627-L648 HydrophobicContact CG2-CD1 3.96Å; V627-L648 HydrophobicContact CG2-CD2 4.3Å
628	C	97.4	Very high	96.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.7	-42.6	175.3	-57	0	0	0	0	111.1	Y585 I589 Q624 H625 L631 M632	Y585-C628 HydrophobicContact CD1-CB 4.35Å; Y585-C628 HydrophobicContact CE1-CB 3.93Å; I589-C628 HydrophobicContact CB-CB 4.49Å; I589-C628 HydrophobicContact CG2-CB 4.34Å; Q624-C628 PolarHBondContact O-N 3.33Å; Q624-C628 VanDerWaalsContact O-N 3.14Å; Q624-C628 PolarHBondContact O-SG 3.45Å; Q624-C628 VanDerWaalsContact O-SG 3.33Å; H625-C628 WeakPolarHBondContact O-CA 3.36Å; H625-C628 WeakPolarHBondContact O-CB 3.47Å; H625-C628 PolarHBondContact O-N 3.22Å; H625-C628 VanDerWaalsContact O-N 3.08Å; C628-L631 PolarHBondContact O-N 3.28Å; C628-M632 HydrophobicContact CB-CE 3.74Å; C628-M632 WeakPolarHBondContact O-CB 3.42Å; C628-M632 PolarHBondContact O-N 3.31Å
629	G	98.1	Very high	96.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.2	-44.9	172.3	0	0	0	0	0	112.8	H625 V627 L631 A633	H625-G629 PolarHBondContact O-N 3.47Å; V627-G629 PolarHBondContact O-N 3Å; G629-L631 PolarHBondContact O-N 3.17Å; G629-A633 WeakPolarHBondContact O-CB 3.48Å; G629-A633 PolarHBondContact O-N 3.33Å
630	F	98.7	Very high	96.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.5	-39.2	177.3	180	-103.1	0	0	0	113.3	A187 R191 M291 L626 V627 L648 L651 Y652 T655 I657	A187-F630 HydrophobicContact CB-CE1 4.22Å; A187-F630 HydrophobicContact CB-CZ 4.46Å; A187-F630 WeakPolarHBondContact O-CE1 3.39Å; R191-F630 HydrophobicContact CB-CD1 4.43Å; R191-F630 HydrophobicContact CB-CE1 3.82Å; R191-F630 HydrophobicContact CB-CE2 4.22Å; R191-F630 HydrophobicContact CB-CZ 3.69Å; R191-F630 VanDerWaalsContact CD-O 3.23Å; R191-F630 WeakPolarHBondContact CD-O 3.38Å; R191-F630 HydrophobicContact CG-CZ 4.47Å; R191-F630 VanDerWaalsContact CG-O 3.26Å; R191-F630 WeakPolarHBondContact CG-O 3.41Å; R191-F630 PolarHBondContact NH1-O 2.81Å; M291-F630 HydrophobicContact CE-CD1 3.5Å; M291-F630 HydrophobicContact CE-CE1 3.71Å; M291-F630 HydrophobicContact CE-CG 4.37Å; M291-F630 HydrophobicContact SD-CD1 4.11Å; M291-F630 HydrophobicContact SD-CE1 3.99Å; L626-F630 VanDerWaalsContact O-CB 3.27Å; L626-F630 WeakPolarHBondContact O-CB 3.31Å; L626-F630 PolarHBondContact O-N 2.96Å; V627-F630 PolarHBondContact O-N 2.79Å; F630-L648 HydrophobicContact CB-CD2 4.36Å; F630-L651 HydrophobicContact CD2-CB 4.18Å; F630-L651 HydrophobicContact CE1-CD1 4.39Å; F630-L651 HydrophobicContact CE2-CB 3.63Å; F630-L651 HydrophobicContact CE2-CG 4.49Å; F630-L651 HydrophobicContact CZ-CB 3.98Å; F630-L651 HydrophobicContact CZ-CD1 4.21Å; F630-L651 HydrophobicContact CZ-CD2 4.19Å; F630-L651 HydrophobicContact CZ-CG 4.38Å; F630-Y652 HydrophobicContact CB-CE2 3.79Å; F630-Y652 HydrophobicContact CD2-CD2 4.05Å; F630-Y652 HydrophobicContact CD2-CE2 4.11Å; F630-Y652 HydrophobicContact CG-CE2 4.41Å; F630-Y652 PolarHBondContact N-OH 3.09Å; F630-T655 HydrophobicContact CE2-CG2 4.06Å; F630-T655 HydrophobicContact CZ-CG2 4.37Å; F630-I657 HydrophobicContact CD2-CD1 3.73Å; F630-I657 HydrophobicContact CE2-CD1 4.25Å
631	L	98.2	Very high	97	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-78.6	-47.9	179.7	-67.9	174.5	0	0	0	111.9	L190 Y194 M195 F284 D287 M291 V627 C628 G629	L190-L631 HydrophobicContact CB-CD2 3.86Å; Y194-L631 WeakPolarHBondContact CB-O 3.39Å; Y194-L631 HydrophobicContact CD1-CB 4.34Å; Y194-L631 HydrophobicContact CE1-CB 4.41Å; M195-L631 VanDerWaalsContact CE-O 3.29Å; M195-L631 WeakPolarHBondContact CE-O 3.41Å; F284-L631 HydrophobicContact CD2-CD1 4.46Å; F284-L631 HydrophobicContact CE2-CD1 4.18Å; D287-L631 HydrophobicContact CB-CD1 4.4Å; M291-L631 HydrophobicContact CG-CD1 4.21Å; M291-L631 HydrophobicContact CG-CD2 4.1Å; M291-L631 HydrophobicContact CG-CG 4.33Å; V627-L631 HydrophobicContact CG1-CD1 4.17Å; V627-L631 WeakPolarHBondContact O-CG 3.25Å; V627-L631 PolarHBondContact O-N 2.76Å; C628-L631 PolarHBondContact O-N 3.28Å; G629-L631 PolarHBondContact O-N 3.17Å
632	M	98.3	Very high	97.3	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-109.2	-17.9	-162.3	-69.5	179.1	-74.1	0	0	115.8	Y194 Q200 F284 I589 Y593 L613 C628	Y194-M632 HydrophobicContact CD1-CG 3.73Å; Y194-M632 HydrophobicContact CE1-CG 3.91Å; Q200-M632 PolarHBondContact NE2-O 3.46Å; F284-M632 HydrophobicContact CD2-CE 4.2Å; F284-M632 HydrophobicContact CD2-SD 4.29Å; F284-M632 HydrophobicContact CE1-CE 4.3Å; F284-M632 HydrophobicContact CE2-CE 3.4Å; F284-M632 VanDerWaalsContact CE2-CE 3.4Å; F284-M632 HydrophobicContact CE2-SD 4.08Å; F284-M632 HydrophobicContact CZ-CE 3.47Å; F284-M632 VanDerWaalsContact CZ-CE 3.47Å; F284-M632 HydrophobicContact CZ-SD 4.42Å; I589-M632 HydrophobicContact CB-CE 4.11Å; I589-M632 HydrophobicContact CG2-CB 4.21Å; I589-M632 HydrophobicContact CG2-CE 3.58Å; I589-M632 HydrophobicContact CG2-SD 4.2Å; Y593-M632 HydrophobicContact CD1-CG 3.95Å; Y593-M632 HydrophobicContact CD1-SD 3.98Å; Y593-M632 HydrophobicContact CD2-CB 3.5Å; Y593-M632 VanDerWaalsContact CD2-CB 3.5Å; Y593-M632 HydrophobicContact CD2-CG 3.76Å; Y593-M632 VanDerWaalsContact CD2-O 3.26Å; Y593-M632 WeakPolarHBondContact CD2-O 3.14Å; Y593-M632 HydrophobicContact CD2-SD 4.5Å; Y593-M632 HydrophobicContact CE1-CG 4.37Å; Y593-M632 HydrophobicContact CE2-CB 4.06Å; Y593-M632 HydrophobicContact CE2-CG 4.16Å; Y593-M632 HydrophobicContact CG-CB 3.78Å; Y593-M632 HydrophobicContact CG-CG 3.64Å; Y593-M632 HydrophobicContact CG-SD 3.81Å; L613-M632 HydrophobicContact CD2-CB 4.27Å; C628-M632 HydrophobicContact CB-CE 3.74Å; C628-M632 WeakPolarHBondContact O-CB 3.42Å; C628-M632 PolarHBondContact O-N 3.31Å
633	A	98.4	Very high	97.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.057	C	C	.	.			trans	-99.8	141.2	-173.7	0	0	0	0	0	113.7	R191 L613 P615 G629 N635 I636	R191-A633 VanDerWaalsContact CZ-O 3.28Å; R191-A633 PolarHBondContact NH1-O 2.89Å; R191-A633 PolarHBondContact NH2-O 3.04Å; L613-A633 WeakPolarHBondContact O-CA 3.47Å; P615-A633 HydrophobicContact CG-CB 3.99Å; G629-A633 WeakPolarHBondContact O-CB 3.48Å; G629-A633 PolarHBondContact O-N 3.33Å; A633-N635 WeakPolarHBondContact CB-O 3.46Å; A633-I636 HydrophobicContact CB-CG2 4.21Å
634	E	97.7	Very high	97.5	Very high	28 Å²	28	16.7 Å²	16.7	13%	0.131	7%	0.073	C	C	.	.	S	Bend	trans	-58.7	-54.7	167.9	174.1	71.6	-172.1	0	0	110.7	R191 Q200 S201 V612 L613 R614	R191-E634 PolarHBondContact NH2-O 3.44Å; Q200-E634 WeakPolarHBondContact CB-OE2 3.47Å; Q200-E634 HydrophobicContact CG-CB 4.48Å; Q200-E634 VanDerWaalsContact OE1-N 3.1Å; S201-E634 VanDerWaalsContact CB-OE1 3.26Å; S201-E634 WeakPolarHBondContact CB-OE1 3.12Å; S201-E634 PolarHBondContact N-OE2 3.01Å; S201-E634 PolarHBondContact OG-OE1 2.86Å; S201-E634 PolarHBondContact OG-OE2 2.83Å; V612-E634 HydrophobicContact CB-CB 3.88Å; V612-E634 HydrophobicContact CB-CG 4.08Å; V612-E634 HydrophobicContact CG1-CB 4.41Å; V612-E634 HydrophobicContact CG1-CG 4.25Å; V612-E634 HydrophobicContact CG2-CB 4.42Å; V612-E634 HydrophobicContact CG2-CG 4.31Å; L613-E634 PolarHBondContact O-N 3.04Å; R614-E634 HydrophobicContact CG-CB 4.22Å
635	N	97.9	Very high	97.7	Very high	10 Å²	10	14.8 Å²	14.8	5%	0.053	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	168.4	-177.9	-65.6	-50.9	0	0	0	108.2	R614 A633 G658 M733	R614-N635 WeakPolarHBondContact CA-O 3.25Å; R614-N635 HydrophobicContact CG-CB 4.11Å; R614-N635 PolarHBondContact NE-ND2 2.68Å; A633-N635 WeakPolarHBondContact CB-O 3.46Å; N635-G658 CarbonylContact C-O 3.56Å; N635-G658 VanDerWaalsContact CA-O 3.27Å; N635-G658 WeakPolarHBondContact CA-O 3.33Å; N635-G658 VanDerWaalsContact CB-O 3.31Å; N635-G658 WeakPolarHBondContact CB-O 3.43Å; N635-G658 WeakPolarHBondContact OD1-CA 3.45Å; N635-G658 PolarHBondContact OD1-N 2.92Å; N635-M733 PolarHBondContact ND2-O 3.47Å
636	I	98.6	Very high	97.7	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.01	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.3	173.1	59.5	164.3	0	0	0	112.4	C617 L626 A633 L642 Y652 G658 I659 A660	C617-I636 HydrophobicContact CB-CB 3.85Å; C617-I636 HydrophobicContact CB-CD1 4.43Å; C617-I636 HydrophobicContact CB-CG2 3.65Å; L626-I636 HydrophobicContact CD2-CD1 3.86Å; A633-I636 HydrophobicContact CB-CG2 4.21Å; I636-L642 HydrophobicContact CD1-CD1 4.37Å; I636-Y652 HydrophobicContact CD1-CD1 4.45Å; I636-Y652 HydrophobicContact CD1-CE1 3.53Å; I636-Y652 HydrophobicContact CG1-CE1 3.95Å; I636-G658 PolarHBondContact N-O 3.39Å; I636-I659 HydrophobicContact CD1-CG1 4.25Å; I636-I659 HydrophobicContact CD1-CG2 4.26Å; I636-I659 HydrophobicContact CG1-CB 4.32Å; I636-I659 HydrophobicContact CG1-CG1 3.98Å; I636-I659 HydrophobicContact CG1-CG2 4.1Å; I636-I659 WeakPolarHBondContact O-CA 3.37Å; I636-A660 PolarHBondContact O-N 3.02Å
637	S	98.4	Very high	97.8	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	148.5	160.7	-57.6	0	0	0	0	110.7	R469 P615 C617 G639 A660	R469-S637 PolarHBondContact NH2-OG 3.39Å; P615-S637 PolarHBondContact O-N 2.98Å; C617-S637 PolarHBondContact N-O 2.82Å; S637-G639 PolarHBondContact O-N 2.98Å; S637-G639 VanDerWaalsContact O-N 3.09Å; S637-A660 CarbonylContact C-O 3.47Å; S637-A660 WeakPolarHBondContact CA-O 3.42Å
638	H	97.8	Very high	97.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.8	-75.5	178.6	-41.4	-98	0	0	0	116.3	H347 H616 E619 L640 I659 A660 N666 D693	H347-H638 AromaticContact CE1-CE1 3.63Å; H347-H638 AromaticContact CE1-NE2 3.22Å; H347-H638 PolarHBondContact CE1-NE2 3.05Å; H347-H638 AromaticContact ND1-CE1 3.87Å; H347-H638 AromaticContact ND1-NE2 3.62Å; H616-H638 AromaticContact CD2-CD2 3.89Å; H616-H638 AromaticContact CD2-NE2 3.2Å; H616-H638 PolarHBondContact CD2-NE2 2.97Å; H616-H638 AromaticContact CG-NE2 3.79Å; H616-H638 AromaticContact NE2-NE2 3.71Å; E619-H638 HydrophobicContact CB-CB 3.57Å; E619-H638 HydrophobicContact CG-CB 3.91Å; E619-H638 IonicContact OE1-CE1 3.73Å; E619-H638 PolarHBondContact OE1-CE1 3.49Å; E619-H638 IonicContact OE1-CG 3.78Å; E619-H638 IonicContact OE1-ND1 3.13Å; E619-H638 PolarHBondContact OE1-ND1 3.29Å; E619-H638 IonicContact OE2-CE1 3.42Å; E619-H638 PolarHBondContact OE2-CE1 2.92Å; E619-H638 IonicContact OE2-ND1 3.79Å; E619-H638 IonicContact OE2-NE2 3.97Å; H638-L640 HydrophobicContact CB-CG 4.47Å; H638-L640 PolarHBondContact O-N 3.28Å; H638-L640 VanDerWaalsContact O-N 3.12Å; H638-I659 WeakPolarHBondContact O-CG2 3.41Å; H638-A660 PolarHBondContact N-O 2.96Å; H638-N666 PolarHBondContact ND1-ND2 2.89Å; H638-D693 IonicContact CE1-OD2 2.78Å; H638-D693 PolarHBondContact CE1-OD2 3.33Å
639	G	97.8	Very high	97.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.069	C	C	.	.			trans	59.8	19.6	-178.1	0	0	0	0	0	116.2	C617 G618 S637 L641 L642 Y681	C617-G639 WeakPolarHBondContact O-CA 2.89Å; C617-G639 PolarHBondContact O-N 2.86Å; G618-G639 CarbonylContact O-C 3.46Å; S637-G639 PolarHBondContact O-N 2.98Å; S637-G639 VanDerWaalsContact O-N 3.09Å; G639-L641 PolarHBondContact O-N 3.03Å; G639-L642 WeakPolarHBondContact O-CB 3.47Å; G639-L642 PolarHBondContact O-N 3.43Å; G639-L642 VanDerWaalsContact O-N 3.16Å; G639-Y681 PolarHBondContact O-OH 3.12Å; G639-Y681 VanDerWaalsContact O-OH 3.11Å
640	L	97.4	Very high	97.9	Very high	6 Å²	6	15.5 Å²	15.5	3%	0.031	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-55.7	-37.2	-176.8	-66.4	-177.1	0	0	0	113.1	G618 E619 H638 L642 R643 M661 N666 L671 P677 Y681	G618-L640 PolarHBondContact O-N 2.84Å; E619-L640 HydrophobicContact CG-CD1 3.82Å; E619-L640 HydrophobicContact CG-CG 4.46Å; H638-L640 HydrophobicContact CB-CG 4.47Å; H638-L640 PolarHBondContact O-N 3.28Å; H638-L640 VanDerWaalsContact O-N 3.12Å; L640-L642 VanDerWaalsContact C-N 3.27Å; L640-L642 PolarHBondContact O-N 2.85Å; L640-R643 WeakPolarHBondContact O-CD 3.39Å; L640-R643 WeakPolarHBondContact O-CG 3.41Å; L640-R643 PolarHBondContact O-N 3.33Å; L640-M661 HydrophobicContact CD2-CE 3.92Å; L640-N666 HydrophobicContact CD1-CB 3.99Å; L640-L671 HydrophobicContact CD1-CD2 4.42Å; L640-L671 HydrophobicContact CD2-CD2 4.27Å; L640-P677 HydrophobicContact CD2-CG 4.14Å; L640-Y681 PolarHBondContact O-OH 2.78Å
641	L	96.8	Very high	97.9	Very high	13 Å²	13	15.6 Å²	15.6	7%	0.068	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-72.8	-12.4	-176.9	-68.6	-171.9	0	0	0	114.4	G618 A620 G621 L626 G639 R643 K644	G618-L641 WeakPolarHBondContact O-CG 3.37Å; G618-L641 PolarHBondContact O-N 3.48Å; A620-L641 WeakPolarHBondContact O-CD1 3.37Å; G621-L641 WeakPolarHBondContact O-CD1 3.4Å; L626-L641 HydrophobicContact CD1-CB 3.71Å; G639-L641 PolarHBondContact O-N 3.03Å; L641-R643 PolarHBondContact O-N 2.97Å; L641-K644 HydrophobicContact CD2-CD 3.94Å; L641-K644 WeakPolarHBondContact O-CB 3.26Å; L641-K644 PolarHBondContact O-N 3.44Å
642	L	98.1	Very high	97.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-56.9	-24.7	172.2	-70.7	166.3	0	0	0	111.7	L626 I636 G639 L640 K644 V645 L648 Q649 Y652 I659 Y681	L626-L642 HydrophobicContact CB-CD2 4.44Å; L626-L642 HydrophobicContact CD1-CB 4.49Å; L626-L642 HydrophobicContact CD1-CD2 3.85Å; L626-L642 HydrophobicContact CD1-CG 3.8Å; L626-L642 HydrophobicContact CD2-CD1 4.41Å; L626-L642 HydrophobicContact CD2-CD2 4.13Å; L626-L642 HydrophobicContact CD2-CG 3.92Å; L626-L642 HydrophobicContact CG-CD2 4.38Å; L626-L642 HydrophobicContact CG-CG 4.45Å; I636-L642 HydrophobicContact CD1-CD1 4.37Å; G639-L642 WeakPolarHBondContact O-CB 3.47Å; G639-L642 PolarHBondContact O-N 3.43Å; G639-L642 VanDerWaalsContact O-N 3.16Å; L640-L642 VanDerWaalsContact C-N 3.27Å; L640-L642 PolarHBondContact O-N 2.85Å; L642-K644 PolarHBondContact O-N 2.74Å; L642-V645 PolarHBondContact O-N 3.09Å; L642-L648 HydrophobicContact CD2-CB 3.71Å; L642-Q649 HydrophobicContact CB-CB 4.18Å; L642-Q649 HydrophobicContact CB-CG 4.27Å; L642-Q649 PolarHBondContact O-NE2 3.06Å; L642-Y652 HydrophobicContact CD1-CD1 3.85Å; L642-Y652 HydrophobicContact CD1-CD2 4.43Å; L642-Y652 HydrophobicContact CD1-CE1 4.1Å; L642-Y652 HydrophobicContact CD1-CG 4.03Å; L642-Y652 HydrophobicContact CD2-CD2 3.73Å; L642-Y652 HydrophobicContact CD2-CE2 3.78Å; L642-Y652 HydrophobicContact CD2-CG 4.12Å; L642-I659 HydrophobicContact CD1-CD1 3.52Å; L642-Y681 HydrophobicContact CB-CE2 4.45Å; L642-Y681 WeakPolarHBondContact CB-OH 3.28Å
643	R	96.6	Very high	98	Very high	99 Å²	99	15.9 Å²	15.9	37%	0.374	7%	0.071	S	C	.	.	G	3₁₀ helix	trans	-60.2	-22.6	173	79	-176.7	-66	162.2	13.4	114	L640 L641 R675 P677 Y681	L640-R643 WeakPolarHBondContact O-CD 3.39Å; L640-R643 WeakPolarHBondContact O-CG 3.41Å; L640-R643 PolarHBondContact O-N 3.33Å; L641-R643 PolarHBondContact O-N 2.97Å; R643-R675 PolarHBondContact NH1-O 3.06Å; R643-R675 PolarHBondContact NH2-O 2.99Å; R643-P677 HydrophobicContact CB-CB 4.27Å; R643-Y681 PolarHBondContact N-OH 3.15Å
644	K	95.6	Very high	98	Very high	135 Å²	135	15.9 Å²	15.9	59%	0.587	7%	0.071	S	C	*	.	G	3₁₀ helix	trans	-96.8	-12.9	-178.9	-57.4	-175.6	-171.8	166.5	0	112.5	L641 L642	L641-K644 HydrophobicContact CD2-CD 3.94Å; L641-K644 WeakPolarHBondContact O-CB 3.26Å; L641-K644 PolarHBondContact O-N 3.44Å; L642-K644 PolarHBondContact O-N 2.74Å
645	V	97.5	Very high	98	Very high	12 Å²	12	14.6 Å²	14.6	7%	0.073	7%	0.065	C	C	.	.			trans	-127.4	83.9	-172.3	-164.8	0	0	0	0	110.6	I295 V623 L642 V647 L648 Q649	I295-V645 HydrophobicContact CB-CG1 3.98Å; I295-V645 HydrophobicContact CG2-CG1 3.9Å; V623-V645 HydrophobicContact CB-CG2 3.86Å; V623-V645 HydrophobicContact CG1-CG2 3.55Å; L642-V645 PolarHBondContact O-N 3.09Å; V645-V647 PolarHBondContact O-N 3.14Å; V645-L648 HydrophobicContact CB-CB 4.33Å; V645-L648 HydrophobicContact CB-CD1 4.34Å; V645-L648 HydrophobicContact CG1-CB 4.03Å; V645-L648 HydrophobicContact CG1-CD1 3.85Å; V645-L648 HydrophobicContact CG1-CG 3.84Å; V645-L648 PolarHBondContact O-N 2.8Å; V645-Q649 PolarHBondContact O-N 3.14Å
646	P	98.1	Very high	98	Very high	15 Å²	15	16.5 Å²	16.5	10%	0.097	7%	0.074	C	C	.	.	H	α-helix	trans	-55.3	-35.6	-177.3	-28.2	35.7	0	0	0	114.2	K301 C304 Y305 L308 Q649 Y650	K301-P646 HydrophobicContact CG-CG 4.3Å; C304-P646 HydrophobicContact CB-CB 4.22Å; Y305-P646 HydrophobicContact CD2-CG 4.19Å; L308-P646 HydrophobicContact CD1-CB 4.01Å; L308-P646 VanDerWaalsContact CD1-O 3.31Å; L308-P646 WeakPolarHBondContact CD1-O 3.41Å; P646-Q649 PolarHBondContact O-N 2.96Å; P646-Y650 VanDerWaalsContact O-CB 3.3Å; P646-Y650 WeakPolarHBondContact O-CB 3.48Å; P646-Y650 PolarHBondContact O-N 2.87Å
647	V	98.5	Very high	98	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-62.8	-51	179.2	-175.9	0	0	0	0	111.1	I295 L300 K301 C304 V645 Y650 L651	I295-V647 HydrophobicContact CG2-CB 4.23Å; I295-V647 HydrophobicContact CG2-CG1 4.37Å; L300-V647 HydrophobicContact CD2-CG1 3.87Å; L300-V647 HydrophobicContact CD2-CG2 4.45Å; L300-V647 HydrophobicContact CG-CG1 4.11Å; L300-V647 HydrophobicContact CG-CG2 4.01Å; K301-V647 HydrophobicContact CB-CG2 4.09Å; C304-V647 HydrophobicContact CB-CG2 4.43Å; V645-V647 PolarHBondContact O-N 3.14Å; V647-Y650 PolarHBondContact O-N 2.76Å; V647-L651 HydrophobicContact CG1-CD1 4.15Å; V647-L651 WeakPolarHBondContact O-CB 3.41Å; V647-L651 WeakPolarHBondContact O-CG 3.28Å; V647-L651 PolarHBondContact O-N 2.76Å
648	L	98.6	Very high	98	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65.8	-44.5	176.6	-67.2	173.2	0	0	0	111.2	M291 I295 L626 V627 F630 L642 V645 Y650 L651 Y652	M291-L648 HydrophobicContact CE-CD2 3.81Å; I295-L648 HydrophobicContact CG2-CD1 4.11Å; I295-L648 HydrophobicContact CG2-CD2 4.06Å; I295-L648 HydrophobicContact CG2-CG 3.69Å; L626-L648 HydrophobicContact CB-CD1 3.74Å; V627-L648 HydrophobicContact CG2-CD1 3.96Å; V627-L648 HydrophobicContact CG2-CD2 4.3Å; F630-L648 HydrophobicContact CB-CD2 4.36Å; L642-L648 HydrophobicContact CD2-CB 3.71Å; V645-L648 HydrophobicContact CB-CB 4.33Å; V645-L648 HydrophobicContact CB-CD1 4.34Å; V645-L648 HydrophobicContact CG1-CB 4.03Å; V645-L648 HydrophobicContact CG1-CD1 3.85Å; V645-L648 HydrophobicContact CG1-CG 3.84Å; V645-L648 PolarHBondContact O-N 2.8Å; L648-Y650 PolarHBondContact O-N 3.06Å; L648-L651 CarbonylContact O-C 3.58Å; L648-L651 PolarHBondContact O-N 2.88Å; L648-Y652 HydrophobicContact CB-CD2 4.41Å; L648-Y652 HydrophobicContact CB-CE2 4.48Å; L648-Y652 WeakPolarHBondContact O-CB 3.26Å; L648-Y652 VanDerWaalsContact O-CD2 3.22Å; L648-Y652 WeakPolarHBondContact O-CD2 3.35Å; L648-Y652 PolarHBondContact O-N 3.13Å
649	Q	98.7	Very high	98	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.019	7%	0.073	C	C	.	.	H	α-helix	trans	-58.6	-38.4	179.2	-167.3	-172.8	126.9	0	0	112.4	L308 L642 V645 P646 Y653 Y681 R684 L686	L308-Q649 HydrophobicContact CD1-CB 3.94Å; L308-Q649 HydrophobicContact CD1-CG 4.23Å; L308-Q649 HydrophobicContact CD2-CG 4.17Å; L642-Q649 HydrophobicContact CB-CB 4.18Å; L642-Q649 HydrophobicContact CB-CG 4.27Å; L642-Q649 PolarHBondContact O-NE2 3.06Å; V645-Q649 PolarHBondContact O-N 3.14Å; P646-Q649 PolarHBondContact O-N 2.96Å; Q649-Y653 PolarHBondContact O-N 3.3Å; Q649-Y653 VanDerWaalsContact O-N 3.08Å; Q649-Y681 HydrophobicContact CG-CE1 4.31Å; Q649-R684 VanDerWaalsContact OE1-CD 3.25Å; Q649-L686 HydrophobicContact CG-CD1 4.46Å; Q649-L686 HydrophobicContact CG-CD2 4.04Å
650	Y	98.6	Very high	98.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-71	-38.9	175.2	-168.9	-127.1	0	0	0	112.1	L184 F303 C304 R307 L308 L311 P646 V647 L648 Y653 L654 E779 I783	L184-Y650 HydrophobicContact CD1-CD1 4.04Å; L184-Y650 HydrophobicContact CD1-CE1 3.8Å; L184-Y650 HydrophobicContact CD2-CD1 4.24Å; F303-Y650 HydrophobicContact CE1-CE1 4.14Å; C304-Y650 HydrophobicContact CB-CD1 4.17Å; C304-Y650 HydrophobicContact CB-CG 4.31Å; R307-Y650 HydrophobicContact CB-CD2 4.14Å; R307-Y650 HydrophobicContact CB-CE1 4.28Å; R307-Y650 HydrophobicContact CB-CE2 3.62Å; R307-Y650 HydrophobicContact CG-CE1 4.21Å; R307-Y650 HydrophobicContact CG-CE2 4.31Å; L308-Y650 HydrophobicContact CD2-CD2 4.08Å; L308-Y650 HydrophobicContact CG-CD2 4.23Å; L311-Y650 HydrophobicContact CD1-CD2 4.45Å; L311-Y650 HydrophobicContact CD1-CE2 4.26Å; P646-Y650 VanDerWaalsContact O-CB 3.3Å; P646-Y650 WeakPolarHBondContact O-CB 3.48Å; P646-Y650 PolarHBondContact O-N 2.87Å; V647-Y650 PolarHBondContact O-N 2.76Å; L648-Y650 PolarHBondContact O-N 3.06Å; Y650-Y653 AromaticContact CD2-CD1 3.96Å; Y650-Y653 HydrophobicContact CD2-CD1 3.96Å; Y650-Y653 AromaticContact CE2-CD1 3.9Å; Y650-Y653 HydrophobicContact CE2-CD1 3.9Å; Y650-Y653 HydrophobicContact CE2-CE1 4.19Å; Y650-Y653 WeakPolarHBondContact O-CB 3.35Å; Y650-Y653 PolarHBondContact O-N 3.45Å; Y650-L654 HydrophobicContact CD1-CD1 3.85Å; Y650-L654 HydrophobicContact CE1-CD1 3.71Å; Y650-L654 HydrophobicContact CE1-CG 4.34Å; Y650-L654 HydrophobicContact CE2-CD2 4.35Å; Y650-L654 HydrophobicContact CE2-CG 4.39Å; Y650-L654 HydrophobicContact CG-CD1 4.38Å; Y650-L654 VanDerWaalsContact O-CG 3.27Å; Y650-L654 WeakPolarHBondContact O-CG 3.38Å; Y650-L654 PolarHBondContact O-N 2.85Å; Y650-E779 PolarHBondContact OH-OE2 3.43Å; Y650-E779 VanDerWaalsContact OH-OE2 3.06Å; Y650-I783 HydrophobicContact CE1-CD1 3.88Å
651	L	98.7	Very high	98.1	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-64.6	-41.5	173.1	-75.3	169.8	0	0	0	113.1	L184 A187 L188 M291 F630 V647 L648 Y653 L654 T655	L184-L651 HydrophobicContact CD2-CD1 4.46Å; L184-L651 HydrophobicContact CD2-CD2 3.61Å; L184-L651 HydrophobicContact CD2-CG 3.85Å; A187-L651 HydrophobicContact CB-CD1 3.7Å; A187-L651 HydrophobicContact CB-CD2 3.77Å; A187-L651 HydrophobicContact CB-CG 4.42Å; L188-L651 HydrophobicContact CD2-CD2 4.11Å; L188-L651 HydrophobicContact CG-CD2 4.28Å; M291-L651 HydrophobicContact CE-CD1 3.82Å; F630-L651 HydrophobicContact CD2-CB 4.18Å; F630-L651 HydrophobicContact CE1-CD1 4.39Å; F630-L651 HydrophobicContact CE2-CB 3.63Å; F630-L651 HydrophobicContact CE2-CG 4.49Å; F630-L651 HydrophobicContact CZ-CB 3.98Å; F630-L651 HydrophobicContact CZ-CD1 4.21Å; F630-L651 HydrophobicContact CZ-CD2 4.19Å; F630-L651 HydrophobicContact CZ-CG 4.38Å; V647-L651 HydrophobicContact CG1-CD1 4.15Å; V647-L651 WeakPolarHBondContact O-CB 3.41Å; V647-L651 WeakPolarHBondContact O-CG 3.28Å; V647-L651 PolarHBondContact O-N 2.76Å; L648-L651 CarbonylContact O-C 3.58Å; L648-L651 PolarHBondContact O-N 2.88Å; L651-Y653 VanDerWaalsContact C-N 3.28Å; L651-Y653 PolarHBondContact O-N 3.42Å; L651-L654 PolarHBondContact O-N 2.85Å; L651-T655 WeakPolarHBondContact O-CB 3.5Å; L651-T655 PolarHBondContact O-N 3.21Å; L651-T655 PolarHBondContact O-OG1 2.94Å
652	Y	98.6	Very high	98.2	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	7%	0.069	C	C	.	.	H	α-helix	trans	-60.3	-38.2	173	-89.2	-111.7	0	0	0	111.3	L626 F630 I636 L642 L648 Q656 I657 I659	L626-Y652 PolarHBondContact O-OH 3.12Å; F630-Y652 HydrophobicContact CB-CE2 3.79Å; F630-Y652 HydrophobicContact CD2-CD2 4.05Å; F630-Y652 HydrophobicContact CD2-CE2 4.11Å; F630-Y652 HydrophobicContact CG-CE2 4.41Å; F630-Y652 PolarHBondContact N-OH 3.09Å; I636-Y652 HydrophobicContact CD1-CD1 4.45Å; I636-Y652 HydrophobicContact CD1-CE1 3.53Å; I636-Y652 HydrophobicContact CG1-CE1 3.95Å; L642-Y652 HydrophobicContact CD1-CD1 3.85Å; L642-Y652 HydrophobicContact CD1-CD2 4.43Å; L642-Y652 HydrophobicContact CD1-CE1 4.1Å; L642-Y652 HydrophobicContact CD1-CG 4.03Å; L642-Y652 HydrophobicContact CD2-CD2 3.73Å; L642-Y652 HydrophobicContact CD2-CE2 3.78Å; L642-Y652 HydrophobicContact CD2-CG 4.12Å; L648-Y652 HydrophobicContact CB-CD2 4.41Å; L648-Y652 HydrophobicContact CB-CE2 4.48Å; L648-Y652 WeakPolarHBondContact O-CB 3.26Å; L648-Y652 VanDerWaalsContact O-CD2 3.22Å; L648-Y652 WeakPolarHBondContact O-CD2 3.35Å; L648-Y652 PolarHBondContact O-N 3.13Å; Y652-Q656 WeakPolarHBondContact O-CA 3.35Å; Y652-Q656 PolarHBondContact O-N 3.33Å; Y652-I657 HydrophobicContact CD1-CB 3.66Å; Y652-I657 HydrophobicContact CD1-CD1 3.74Å; Y652-I657 HydrophobicContact CD1-CG1 4.16Å; Y652-I657 HydrophobicContact CD1-CG2 3.87Å; Y652-I657 HydrophobicContact CD2-CD1 4.1Å; Y652-I657 HydrophobicContact CE1-CB 4.11Å; Y652-I657 HydrophobicContact CE1-CD1 3.87Å; Y652-I657 HydrophobicContact CE1-CG2 3.8Å; Y652-I657 HydrophobicContact CE2-CD1 4.28Å; Y652-I657 HydrophobicContact CG-CB 4.33Å; Y652-I657 HydrophobicContact CG-CD1 3.86Å; Y652-I657 HydrophobicContact CG-CG1 4.43Å; Y652-I657 PolarHBondContact O-N 3.49Å; Y652-I657 VanDerWaalsContact O-N 3.14Å; Y652-I659 HydrophobicContact CD1-CD1 4.01Å; Y652-I659 HydrophobicContact CD1-CG1 4.23Å
653	Y	98.7	Very high	98.2	Very high	5 Å²	5	15.6 Å²	15.6	2%	0.02	7%	0.069	C	C	.	.	H	α-helix	trans	-63.5	-53.4	170.2	164.9	-100.3	0	0	0	112.1	L311 Q649 Y650 L651 T655 Q656 R684 G685 T775 L776 E779	L311-Y653 HydrophobicContact CD1-CD1 3.84Å; L311-Y653 HydrophobicContact CD1-CD2 4.27Å; L311-Y653 HydrophobicContact CD1-CE1 3.67Å; L311-Y653 HydrophobicContact CD1-CE2 4.1Å; L311-Y653 HydrophobicContact CD1-CG 4.14Å; L311-Y653 HydrophobicContact CD2-CE1 4.37Å; L311-Y653 HydrophobicContact CD2-CE2 4.47Å; Q649-Y653 PolarHBondContact O-N 3.3Å; Q649-Y653 VanDerWaalsContact O-N 3.08Å; Y650-Y653 AromaticContact CD2-CD1 3.96Å; Y650-Y653 HydrophobicContact CD2-CD1 3.96Å; Y650-Y653 AromaticContact CE2-CD1 3.9Å; Y650-Y653 HydrophobicContact CE2-CD1 3.9Å; Y650-Y653 HydrophobicContact CE2-CE1 4.19Å; Y650-Y653 WeakPolarHBondContact O-CB 3.35Å; Y650-Y653 PolarHBondContact O-N 3.45Å; L651-Y653 VanDerWaalsContact C-N 3.28Å; L651-Y653 PolarHBondContact O-N 3.42Å; Y653-T655 PolarHBondContact O-N 3.09Å; Y653-Q656 PolarHBondContact O-N 3.44Å; Y653-Q656 PolarHBondContact O-NE2 2.92Å; Y653-R684 WeakPolarHBondContact CD2-O 3.32Å; Y653-R684 WeakPolarHBondContact CE2-O 3.29Å; Y653-G685 WeakPolarHBondContact CD2-O 3.49Å; Y653-T775 PolarHBondContact OH-O 3.17Å; Y653-L776 HydrophobicContact CE1-CD1 4.03Å; Y653-L776 HydrophobicContact CE2-CD1 4.45Å; Y653-L776 WeakPolarHBondContact OH-CA 3.39Å; Y653-L776 PolarHBondContact OH-N 3.34Å; Y653-E779 HydrophobicContact CE1-CB 3.96Å; Y653-E779 HydrophobicContact CE1-CG 3.82Å
654	L	98.4	Very high	98.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64	-24.2	-178.3	-66.4	169	0	0	0	113.7	L188 T206 Y650 L651 E779 L780 I783	L188-L654 HydrophobicContact CD2-CB 4.07Å; T206-L654 WeakPolarHBondContact CG2-O 3.44Å; T206-L654 PolarHBondContact OG1-O 3.16Å; Y650-L654 HydrophobicContact CD1-CD1 3.85Å; Y650-L654 HydrophobicContact CE1-CD1 3.71Å; Y650-L654 HydrophobicContact CE1-CG 4.34Å; Y650-L654 HydrophobicContact CE2-CD2 4.35Å; Y650-L654 HydrophobicContact CE2-CG 4.39Å; Y650-L654 HydrophobicContact CG-CD1 4.38Å; Y650-L654 VanDerWaalsContact O-CG 3.27Å; Y650-L654 WeakPolarHBondContact O-CG 3.38Å; Y650-L654 PolarHBondContact O-N 2.85Å; L651-L654 PolarHBondContact O-N 2.85Å; L654-E779 HydrophobicContact CD2-CB 4.15Å; L654-L780 HydrophobicContact CB-CD2 4.49Å; L654-L780 HydrophobicContact CD2-CD2 3.92Å; L654-L780 HydrophobicContact CD2-CG 4.23Å; L654-I783 HydrophobicContact CD1-CD1 3.39Å; L654-I783 HydrophobicContact CD2-CD1 3.7Å; L654-I783 HydrophobicContact CG-CD1 4.19Å
655	T	98	Very high	98.2	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.012	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	6.8	177.3	56.2	0	0	0	0	113.3	L188 F202 P203 F630 L651 Y653 I657	L188-T655 HydrophobicContact CD2-CG2 3.2Å; F202-T655 HydrophobicContact CE2-CG2 3.96Å; F202-T655 HydrophobicContact CZ-CG2 4.18Å; P203-T655 WeakPolarHBondContact CD-O 3.01Å; P203-T655 VanDerWaalsContact CG-O 3.29Å; P203-T655 WeakPolarHBondContact CG-O 3.29Å; F630-T655 HydrophobicContact CE2-CG2 4.06Å; F630-T655 HydrophobicContact CZ-CG2 4.37Å; L651-T655 WeakPolarHBondContact O-CB 3.5Å; L651-T655 PolarHBondContact O-N 3.21Å; L651-T655 PolarHBondContact O-OG1 2.94Å; Y653-T655 PolarHBondContact O-N 3.09Å; T655-I657 PolarHBondContact O-N 3.01Å; T655-I657 WeakPolarHBondContact OG1-CD1 3.34Å; T655-I657 VanDerWaalsContact OG1-CG1 3.27Å; T655-I657 WeakPolarHBondContact OG1-CG1 3.5Å
656	Q	97.9	Very high	98	Very high	50 Å²	50	5 Å²	5	23%	0.234	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	38.6	173.9	-65.2	-75.1	-84.5	0	0	113.5	P203 Y652 Y653 G658 G685 I687 L776	P203-Q656 HydrophobicContact CB-CB 4.41Å; P203-Q656 HydrophobicContact CG-CB 4.43Å; Y652-Q656 WeakPolarHBondContact O-CA 3.35Å; Y652-Q656 PolarHBondContact O-N 3.33Å; Y653-Q656 PolarHBondContact O-N 3.44Å; Y653-Q656 PolarHBondContact O-NE2 2.92Å; Q656-G658 PolarHBondContact O-N 3.16Å; Q656-G685 PolarHBondContact NE2-O 2.92Å; Q656-G685 VanDerWaalsContact NE2-O 3.14Å; Q656-I687 HydrophobicContact CB-CG1 3.95Å; Q656-I687 HydrophobicContact CG-CG1 4.49Å; Q656-I687 VanDerWaalsContact OE1-CD1 3.31Å; Q656-L776 HydrophobicContact CG-CD2 3.73Å
657	I	98.4	Very high	97.9	Very high	2 Å²	2	7 Å²	7	1%	0.01	4%	0.036	C	C	.	.			trans	-65.7	131	179.9	-53.7	-178.4	0	0	0	108.6	R191 F630 Y652 T655	R191-I657 VanDerWaalsContact CZ-CD1 3.4Å; F630-I657 HydrophobicContact CD2-CD1 3.73Å; F630-I657 HydrophobicContact CE2-CD1 4.25Å; Y652-I657 HydrophobicContact CD1-CB 3.66Å; Y652-I657 HydrophobicContact CD1-CD1 3.74Å; Y652-I657 HydrophobicContact CD1-CG1 4.16Å; Y652-I657 HydrophobicContact CD1-CG2 3.87Å; Y652-I657 HydrophobicContact CD2-CD1 4.1Å; Y652-I657 HydrophobicContact CE1-CB 4.11Å; Y652-I657 HydrophobicContact CE1-CD1 3.87Å; Y652-I657 HydrophobicContact CE1-CG2 3.8Å; Y652-I657 HydrophobicContact CE2-CD1 4.28Å; Y652-I657 HydrophobicContact CG-CB 4.33Å; Y652-I657 HydrophobicContact CG-CD1 3.86Å; Y652-I657 HydrophobicContact CG-CG1 4.43Å; Y652-I657 PolarHBondContact O-N 3.49Å; Y652-I657 VanDerWaalsContact O-N 3.14Å; T655-I657 PolarHBondContact O-N 3.01Å; T655-I657 WeakPolarHBondContact OG1-CD1 3.34Å; T655-I657 VanDerWaalsContact OG1-CG1 3.27Å; T655-I657 WeakPolarHBondContact OG1-CG1 3.5Å
658	G	98.4	Very high	97.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	132.7	175	0	0	0	0	0	112.1	N635 I636 Q656 I687	N635-G658 CarbonylContact C-O 3.56Å; N635-G658 VanDerWaalsContact CA-O 3.27Å; N635-G658 WeakPolarHBondContact CA-O 3.33Å; N635-G658 VanDerWaalsContact CB-O 3.31Å; N635-G658 WeakPolarHBondContact CB-O 3.43Å; N635-G658 WeakPolarHBondContact OD1-CA 3.45Å; N635-G658 PolarHBondContact OD1-N 2.92Å; I636-G658 PolarHBondContact N-O 3.39Å; Q656-G658 PolarHBondContact O-N 3.16Å; G658-I687 CarbonylContact C-O 3.59Å; G658-I687 WeakPolarHBondContact CA-O 3.26Å
659	I	98.8	Very high	96.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	112.6	176.5	-50.4	174.3	0	0	0	108.1	I636 H638 L642 Y652 M661 L686 I687 I688 S689	I636-I659 HydrophobicContact CD1-CG1 4.25Å; I636-I659 HydrophobicContact CD1-CG2 4.26Å; I636-I659 HydrophobicContact CG1-CB 4.32Å; I636-I659 HydrophobicContact CG1-CG1 3.98Å; I636-I659 HydrophobicContact CG1-CG2 4.1Å; I636-I659 WeakPolarHBondContact O-CA 3.37Å; H638-I659 WeakPolarHBondContact O-CG2 3.41Å; L642-I659 HydrophobicContact CD1-CD1 3.52Å; Y652-I659 HydrophobicContact CD1-CD1 4.01Å; Y652-I659 HydrophobicContact CD1-CG1 4.23Å; I659-M661 HydrophobicContact CG2-CG 3.74Å; I659-M661 HydrophobicContact CG2-SD 4.36Å; I659-L686 HydrophobicContact CD1-CD2 3.83Å; I659-I687 PolarHBondContact N-O 3.16Å; I659-I688 HydrophobicContact CB-CD1 3.72Å; I659-I688 HydrophobicContact CD1-CD1 3.83Å; I659-I688 HydrophobicContact CG1-CD1 4.13Å; I659-I688 HydrophobicContact CG2-CD1 4.41Å; I659-I688 WeakPolarHBondContact O-CA 3.42Å; I659-S689 PolarHBondContact O-N 3.42Å
660	A	98.7	Very high	96.1	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.008	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	113.8	174.7	0	0	0	0	0	109.3	T346 H347 I636 S637 H638 S689 M733	T346-A660 WeakPolarHBondContact OG1-CB 3.44Å; H347-A660 HydrophobicContact CB-CB 3.87Å; I636-A660 PolarHBondContact O-N 3.02Å; S637-A660 CarbonylContact C-O 3.47Å; S637-A660 WeakPolarHBondContact CA-O 3.42Å; H638-A660 PolarHBondContact N-O 2.96Å; A660-S689 WeakPolarHBondContact CA-OG 3.38Å; A660-M733 HydrophobicContact CB-CE 4.24Å
661	M	98.6	Very high	95.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.5	-173.8	-63.2	-170.2	75.2	0	0	111.2	L640 I659 P663 N676 P677 L678 Y681 I688 S689 L690 S691	L640-M661 HydrophobicContact CD2-CE 3.92Å; I659-M661 HydrophobicContact CG2-CG 3.74Å; I659-M661 HydrophobicContact CG2-SD 4.36Å; M661-P663 VanDerWaalsContact O-CD 3.31Å; M661-P663 WeakPolarHBondContact O-CD 3.2Å; M661-N676 WeakPolarHBondContact CE-OD1 3.4Å; M661-P677 HydrophobicContact CE-CG 4.06Å; M661-L678 HydrophobicContact CB-CD1 3.89Å; M661-L678 HydrophobicContact CE-CB 3.96Å; M661-L678 HydrophobicContact SD-CB 3.84Å; M661-L678 HydrophobicContact SD-CD1 4.34Å; M661-L678 HydrophobicContact SD-CG 4.04Å; M661-Y681 HydrophobicContact CE-CD2 4.19Å; M661-Y681 HydrophobicContact CE-CE2 4.11Å; M661-Y681 HydrophobicContact SD-CD2 3.76Å; M661-Y681 HydrophobicContact SD-CE2 4.19Å; M661-I688 HydrophobicContact CB-CG2 4.23Å; M661-I688 HydrophobicContact CG-CG2 3.83Å; M661-I688 HydrophobicContact SD-CD1 4.18Å; M661-I688 HydrophobicContact SD-CG2 3.68Å; M661-S689 PolarHBondContact N-O 2.9Å; M661-L690 WeakPolarHBondContact O-CA 3.16Å; M661-S691 VanDerWaalsContact C-OG 3.22Å; M661-S691 PolarHBondContact N-OG 3.28Å; M661-S691 PolarHBondContact O-N 3Å; M661-S691 PolarHBondContact O-OG 3.18Å
662	S	98.1	Very high	95.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.			trans	-120.2	78.8	-177.7	-52.6	0	0	0	0	111.9	L664 S665 N666 S691	S662-L664 PolarHBondContact O-N 3.07Å; S662-S665 WeakPolarHBondContact O-CB 3.44Å; S662-S665 PolarHBondContact O-N 3.43Å; S662-N666 PolarHBondContact O-N 3.11Å; S662-N666 PolarHBondContact O-OD1 3.22Å; S662-N666 VanDerWaalsContact O-OD1 3.12Å; S662-S691 WeakPolarHBondContact CA-O 3.42Å; S662-S691 WeakPolarHBondContact CB-O 3.32Å; S662-S691 PolarHBondContact OG-O 3.24Å; S662-S691 PolarHBondContact OG-OG 2.93Å
663	P	98	Very high	95.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-55.9	-37.3	-170.5	-30.8	38	0	0	0	117.6	M661 N667 Y673 L678 L690 E708 W716	M661-P663 VanDerWaalsContact O-CD 3.31Å; M661-P663 WeakPolarHBondContact O-CD 3.2Å; P663-N667 WeakPolarHBondContact O-CB 3.27Å; P663-N667 PolarHBondContact O-N 3.31Å; P663-Y673 HydrophobicContact CB-CD2 4Å; P663-Y673 HydrophobicContact CB-CE1 4.44Å; P663-Y673 HydrophobicContact CB-CE2 3.35Å; P663-L678 HydrophobicContact CG-CD1 3.75Å; P663-L690 HydrophobicContact CG-CD2 3.69Å; P663-E708 VanDerWaalsContact CD-OE1 3.24Å; P663-E708 WeakPolarHBondContact CD-OE1 3.37Å; P663-E708 VanDerWaalsContact N-OE1 3.13Å; P663-W716 HydrophobicContact CB-CH2 3.76Å; P663-W716 HydrophobicContact CB-CZ2 4.5Å; P663-W716 HydrophobicContact CG-CH2 3.59Å; P663-W716 HydrophobicContact CG-CZ3 4.12Å
664	L	96.7	Very high	94.9	Very high	22 Å²	22	23 Å²	23	12%	0.115	12%	0.116	C	C	.	.	H	α-helix	trans	-69.9	-40	177.9	-70.9	172.4	0	0	0	111.9	S662 N667 S668 Y673 F698 E707 E708 I711	S662-L664 PolarHBondContact O-N 3.07Å; L664-N667 PolarHBondContact O-N 3.15Å; L664-S668 WeakPolarHBondContact O-CB 3.42Å; L664-S668 PolarHBondContact O-N 3.25Å; L664-S668 VanDerWaalsContact O-N 3.14Å; L664-S668 PolarHBondContact O-OG 2.92Å; L664-Y673 HydrophobicContact CD2-CD2 4.1Å; L664-Y673 HydrophobicContact CD2-CE2 3.79Å; L664-Y673 HydrophobicContact CG-CE2 4.04Å; L664-F698 HydrophobicContact CB-CB 4.29Å; L664-E707 HydrophobicContact CD1-CG 4.49Å; L664-E708 WeakPolarHBondContact CB-OE1 3.33Å; L664-E708 HydrophobicContact CD1-CG 3.84Å; L664-E708 VanDerWaalsContact CG-CD 3.48Å; L664-E708 HydrophobicContact CG-CG 4.26Å; L664-E708 WeakPolarHBondContact CG-OE1 3.43Å; L664-E708 PolarHBondContact N-OE1 3.48Å; L664-I711 HydrophobicContact CD1-CD1 4.04Å; L664-I711 HydrophobicContact CD2-CD1 4.08Å
665	S	95.9	Very high	94.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60	-55	170	173.1	0	0	0	0	110.3	S662 N667 S668 L669 D693 F698	S662-S665 WeakPolarHBondContact O-CB 3.44Å; S662-S665 PolarHBondContact O-N 3.43Å; S665-N667 PolarHBondContact O-N 2.98Å; S665-S668 WeakPolarHBondContact O-CA 3.27Å; S665-S668 WeakPolarHBondContact O-CB 3.41Å; S665-S668 PolarHBondContact O-N 3.5Å; S665-L669 PolarHBondContact O-N 3.37Å; S665-D693 WeakPolarHBondContact CB-OD2 3.42Å; S665-D693 PolarHBondContact OG-OD2 2.9Å; S665-F698 VanDerWaalsContact OG-CE2 3.27Å; S665-F698 WeakPolarHBondContact OG-CE2 3.16Å
666	N	94.7	Very high	94.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.4	-37.8	-179.9	-50.6	145.5	0	0	0	111.8	E619 H638 L640 S662 S668 L669 F670 L671 N676	E619-N666 PolarHBondContact OE1-ND2 3.33Å; H638-N666 PolarHBondContact ND1-ND2 2.89Å; L640-N666 HydrophobicContact CD1-CB 3.99Å; S662-N666 PolarHBondContact O-N 3.11Å; S662-N666 PolarHBondContact O-OD1 3.22Å; S662-N666 VanDerWaalsContact O-OD1 3.12Å; N666-S668 VanDerWaalsContact C-N 3.27Å; N666-S668 PolarHBondContact O-N 3.07Å; N666-L669 PolarHBondContact O-N 2.66Å; N666-F670 PolarHBondContact O-N 3.31Å; N666-L671 CarbonylContact C-O 3.53Å; N666-L671 PolarHBondContact O-N 3.08Å; N666-N676 PolarHBondContact OD1-ND2 2.92Å
667	N	94	Very high	94.7	Very high	59 Å²	59	29 Å²	29	32%	0.316	14%	0.136	S	C	.	.	H	α-helix	trans	-61.8	-33.3	174.7	173.7	78.5	0	0	0	113.3	P663 L664 S665 L671 N672 Y673	P663-N667 WeakPolarHBondContact O-CB 3.27Å; P663-N667 PolarHBondContact O-N 3.31Å; L664-N667 PolarHBondContact O-N 3.15Å; S665-N667 PolarHBondContact O-N 2.98Å; N667-L671 VanDerWaalsContact CA-O 3.25Å; N667-L671 WeakPolarHBondContact CA-O 3.24Å; N667-L671 PolarHBondContact N-O 3.26Å; N667-N672 WeakPolarHBondContact OD1-CA 3.39Å; N667-Y673 HydrophobicContact CB-CD2 4.06Å; N667-Y673 PolarHBondContact OD1-N 2.88Å
668	S	88.9	Confident	94.7	Very high	24 Å²	24	28.9 Å²	28.9	17%	0.168	14%	0.136	C	C	.	.	H	α-helix	trans	-85.8	-27	-177.5	-54.2	0	0	0	0	112.6	F413 L664 S665 N666 F698	F413-S668 VanDerWaalsContact CA-O 3.28Å; F413-S668 WeakPolarHBondContact CA-O 3.29Å; F413-S668 PolarHBondContact N-O 3.2Å; L664-S668 WeakPolarHBondContact O-CB 3.42Å; L664-S668 PolarHBondContact O-N 3.25Å; L664-S668 VanDerWaalsContact O-N 3.14Å; L664-S668 PolarHBondContact O-OG 2.92Å; S665-S668 WeakPolarHBondContact O-CA 3.27Å; S665-S668 WeakPolarHBondContact O-CB 3.41Å; S665-S668 PolarHBondContact O-N 3.5Å; N666-S668 VanDerWaalsContact C-N 3.27Å; N666-S668 PolarHBondContact O-N 3.07Å; S668-F698 VanDerWaalsContact CB-CE1 3.49Å
669	L	86	Confident	94.6	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-106.9	-42.5	-173.3	-60.8	-177.6	0	0	0	115.1	T412 H414 F419 S665 N666 F698	T412-L669 HydrophobicContact CG2-CD2 3.76Å; H414-L669 PolarHBondContact N-O 2.83Å; H414-L669 PolarHBondContact ND1-O 2.76Å; F419-L669 HydrophobicContact CB-CD2 3.95Å; F419-L669 HydrophobicContact CD2-CD1 4.19Å; F419-L669 HydrophobicContact CD2-CD2 3.78Å; F419-L669 HydrophobicContact CE2-CD1 4.16Å; F419-L669 HydrophobicContact CG-CD1 4.47Å; F419-L669 HydrophobicContact CG-CD2 3.95Å; F419-L669 HydrophobicContact CZ-CD1 4.41Å; S665-L669 PolarHBondContact O-N 3.37Å; N666-L669 PolarHBondContact O-N 2.66Å; L669-F698 HydrophobicContact CD1-CZ 4.07Å; L669-F698 HydrophobicContact CD2-CZ 4.43Å; L669-F698 HydrophobicContact CG-CE1 4.43Å; L669-F698 HydrophobicContact CG-CZ 4.11Å
670	F	84.8	Confident	94.6	Very high	28 Å²	28	34.2 Å²	34.2	12%	0.123	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137	-28.9	-163.4	-62.1	-72.4	0	0	0	116.3	F413 H414 F416 E619 A620 N666	F413-F670 VanDerWaalsContact CZ-C 3.5Å; H414-F670 PolarHBondContact CE1-O 3.01Å; H414-F670 AromaticContact ND1-CD1 3.94Å; F416-F670 HydrophobicContact CD2-CZ 4.1Å; F416-F670 HydrophobicContact CE2-CZ 4.46Å; E619-F670 HydrophobicContact CG-CD2 3.57Å; E619-F670 HydrophobicContact CG-CE2 3.75Å; E619-F670 HydrophobicContact CG-CG 4.35Å; E619-F670 WeakPolarHBondContact OE1-CD2 3.42Å; E619-F670 WeakPolarHBondContact OE2-CE2 3.11Å; A620-F670 HydrophobicContact CB-CD1 4.17Å; A620-F670 HydrophobicContact CB-CE1 3.84Å; A620-F670 HydrophobicContact CB-CZ 4.29Å; N666-F670 PolarHBondContact O-N 3.31Å
671	L	89.4	Confident	94.6	Very high	27 Å²	27	34.2 Å²	34.2	14%	0.141	16%	0.164	C	C	.	.	S	Bend	trans	-161.4	109	-163.8	-177.6	66.8	0	0	0	113.2	L640 N666 N667 Y673 R675	L640-L671 HydrophobicContact CD1-CD2 4.42Å; L640-L671 HydrophobicContact CD2-CD2 4.27Å; N666-L671 CarbonylContact C-O 3.53Å; N666-L671 PolarHBondContact O-N 3.08Å; N667-L671 VanDerWaalsContact CA-O 3.25Å; N667-L671 WeakPolarHBondContact CA-O 3.24Å; N667-L671 PolarHBondContact N-O 3.26Å; L671-Y673 PolarHBondContact O-N 2.85Å; L671-R675 HydrophobicContact CD1-CB 3.66Å; L671-R675 HydrophobicContact CG-CB 4.07Å
672	N	91.3	Very high	94.5	Very high	92 Å²	92	34.5 Å²	34.5	49%	0.492	17%	0.166	S	C	.	.			trans	-38.7	136.3	175.2	-58.2	6.1	0	0	0	113.4	N667 H674 R675 N676	N667-N672 WeakPolarHBondContact OD1-CA 3.39Å; N672-H674 VanDerWaalsContact C-N 3.35Å; N672-H674 PolarHBondContact O-N 3.38Å; N672-H674 VanDerWaalsContact O-N 3.15Å; N672-R675 WeakPolarHBondContact O-CA 3.17Å; N672-R675 WeakPolarHBondContact O-CB 3.38Å; N672-R675 PolarHBondContact O-N 3.06Å; N672-N676 PolarHBondContact O-N 3.5Å
673	Y	94.7	Very high	94.5	Very high	15 Å²	15	35.2 Å²	35.2	6%	0.059	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-49.6	-47.5	-171.7	-156.6	-81	0	0	0	113.8	P663 L664 N667 L671 R675 N676 E708 I711 A712 V715 W716	P663-Y673 HydrophobicContact CB-CD2 4Å; P663-Y673 HydrophobicContact CB-CE1 4.44Å; P663-Y673 HydrophobicContact CB-CE2 3.35Å; L664-Y673 HydrophobicContact CD2-CD2 4.1Å; L664-Y673 HydrophobicContact CD2-CE2 3.79Å; L664-Y673 HydrophobicContact CG-CE2 4.04Å; N667-Y673 HydrophobicContact CB-CD2 4.06Å; N667-Y673 PolarHBondContact OD1-N 2.88Å; L671-Y673 PolarHBondContact O-N 2.85Å; Y673-R675 PolarHBondContact O-N 3.37Å; Y673-R675 VanDerWaalsContact O-N 3.09Å; Y673-N676 VanDerWaalsContact O-CB 3.31Å; Y673-N676 WeakPolarHBondContact O-CB 3.46Å; Y673-N676 PolarHBondContact O-N 3.07Å; Y673-E708 PolarHBondContact OH-OE2 3.08Å; Y673-I711 HydrophobicContact CE1-CG2 4.15Å; Y673-I711 HydrophobicContact CE2-CG2 3.98Å; Y673-A712 WeakPolarHBondContact OH-CA 3.47Å; Y673-A712 PolarHBondContact OH-N 3.24Å; Y673-V715 HydrophobicContact CD1-CB 4.22Å; Y673-V715 HydrophobicContact CD1-CG1 3.79Å; Y673-V715 HydrophobicContact CD1-CG2 4.41Å; Y673-V715 HydrophobicContact CE1-CB 3.97Å; Y673-V715 HydrophobicContact CE1-CG1 4.03Å; Y673-V715 HydrophobicContact CE1-CG2 4.25Å; Y673-W716 AromaticContact CD1-CE2 3.97Å; Y673-W716 HydrophobicContact CD1-CH2 4.37Å; Y673-W716 AromaticContact CD1-CZ2 3.64Å; Y673-W716 HydrophobicContact CD1-CZ2 3.64Å; Y673-W716 HydrophobicContact CE1-CD2 4.29Å; Y673-W716 AromaticContact CE1-CE2 3.67Å; Y673-W716 AromaticContact CE1-CH2 3.69Å; Y673-W716 HydrophobicContact CE1-CH2 3.69Å; Y673-W716 AromaticContact CE1-CZ2 3.34Å; Y673-W716 HydrophobicContact CE1-CZ2 3.34Å; Y673-W716 HydrophobicContact CE1-CZ3 4.26Å; Y673-W716 AromaticContact CZ-CH2 3.96Å
674	H	93.2	Very high	94.6	Very high	158 Å²	158	36 Å²	36	73%	0.731	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-63.2	-15.6	178.2	-58.9	-66.4	0	0	0	114.7	N672 V715	N672-H674 VanDerWaalsContact C-N 3.35Å; N672-H674 PolarHBondContact O-N 3.38Å; N672-H674 VanDerWaalsContact O-N 3.15Å; H674-V715 WeakPolarHBondContact ND1-CG1 3.32Å
675	R	95	Very high	94.6	Very high	170 Å²	170	35.4 Å²	35.4	64%	0.642	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-98.6	-6.7	175.7	-71.2	-177.1	151.6	-168.9	-5.8	113.1	R643 L671 N672 Y673	R643-R675 PolarHBondContact NH1-O 3.06Å; R643-R675 PolarHBondContact NH2-O 2.99Å; L671-R675 HydrophobicContact CD1-CB 3.66Å; L671-R675 HydrophobicContact CG-CB 4.07Å; N672-R675 WeakPolarHBondContact O-CA 3.17Å; N672-R675 WeakPolarHBondContact O-CB 3.38Å; N672-R675 PolarHBondContact O-N 3.06Å; Y673-R675 PolarHBondContact O-N 3.37Å; Y673-R675 VanDerWaalsContact O-N 3.09Å
676	N	97.5	Very high	94.8	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.027	17%	0.174	C	C	.	.			trans	-59.7	134.3	177.7	-168	-60.9	0	0	0	109.9	M661 N666 N672 Y673 L678 W716	M661-N676 WeakPolarHBondContact CE-OD1 3.4Å; N666-N676 PolarHBondContact OD1-ND2 2.92Å; N672-N676 PolarHBondContact O-N 3.5Å; Y673-N676 VanDerWaalsContact O-CB 3.31Å; Y673-N676 WeakPolarHBondContact O-CB 3.46Å; Y673-N676 PolarHBondContact O-N 3.07Å; N676-L678 VanDerWaalsContact C-N 3.3Å; N676-L678 PolarHBondContact O-N 2.88Å; N676-L678 WeakPolarHBondContact OD1-CB 3.48Å; N676-L678 PolarHBondContact OD1-N 3.21Å; N676-W716 HydrophobicContact CB-CH2 4.31Å; N676-W716 HydrophobicContact CB-CZ2 3.89Å
677	P	97.8	Very high	94.9	Very high	2 Å²	2	37 Å²	37	1%	0.013	18%	0.182	C	C	.	.	S	Bend	trans	-81.2	-1.3	-174.4	33.2	-35.3	0	0	0	114.6	L640 R643 M661 E680 Y681	L640-P677 HydrophobicContact CD2-CG 4.14Å; R643-P677 HydrophobicContact CB-CB 4.27Å; M661-P677 HydrophobicContact CE-CG 4.06Å; P677-E680 WeakPolarHBondContact O-CA 3.27Å; P677-E680 VanDerWaalsContact O-CB 3.32Å; P677-E680 WeakPolarHBondContact O-CB 3.48Å; P677-E680 PolarHBondContact O-N 2.98Å; P677-Y681 HydrophobicContact CB-CD1 4.09Å; P677-Y681 HydrophobicContact CB-CE1 3.59Å; P677-Y681 HydrophobicContact CB-CE2 4.13Å; P677-Y681 HydrophobicContact CG-CE1 4.1Å; P677-Y681 HydrophobicContact CG-CE2 3.81Å; P677-Y681 WeakPolarHBondContact CG-OH 3.25Å; P677-Y681 PolarHBondContact O-N 2.74Å
678	L	97.9	Very high	95.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-45.3	-53.7	178.8	-172	160	0	0	0	114.9	M661 P663 N676 E680 Y681 L682 I688 L690 W716	M661-L678 HydrophobicContact CB-CD1 3.89Å; M661-L678 HydrophobicContact CE-CB 3.96Å; M661-L678 HydrophobicContact SD-CB 3.84Å; M661-L678 HydrophobicContact SD-CD1 4.34Å; M661-L678 HydrophobicContact SD-CG 4.04Å; P663-L678 HydrophobicContact CG-CD1 3.75Å; N676-L678 VanDerWaalsContact C-N 3.3Å; N676-L678 PolarHBondContact O-N 2.88Å; N676-L678 WeakPolarHBondContact OD1-CB 3.48Å; N676-L678 PolarHBondContact OD1-N 3.21Å; L678-E680 PolarHBondContact O-N 3.11Å; L678-Y681 PolarHBondContact O-N 3.16Å; L678-L682 WeakPolarHBondContact O-CB 3.28Å; L678-L682 PolarHBondContact O-N 3.22Å; L678-I688 HydrophobicContact CD1-CG2 4.29Å; L678-I688 HydrophobicContact CG-CG2 4.04Å; L678-L690 HydrophobicContact CD1-CD2 3.4Å; L678-L690 HydrophobicContact CD1-CG 4.07Å; L678-W716 HydrophobicContact CB-CH2 3.95Å; L678-W716 HydrophobicContact CB-CZ3 4.02Å; L678-W716 HydrophobicContact CD1-CH2 4.24Å; L678-W716 HydrophobicContact CD1-CZ3 3.93Å; L678-W716 HydrophobicContact CD2-CE3 4.11Å; L678-W716 HydrophobicContact CD2-CH2 4.49Å; L678-W716 HydrophobicContact CD2-CZ3 3.69Å; L678-W716 HydrophobicContact CG-CH2 4.44Å; L678-W716 HydrophobicContact CG-CZ3 4.08Å
679	P	97.5	Very high	95.6	Very high	41 Å²	41	33 Å²	33	27%	0.266	16%	0.159	S	C	.	.	H	α-helix	trans	-63.1	-30.8	179.7	25	-36	0	0	0	112.9	A683 W716	P679-A683 VanDerWaalsContact O-CB 3.25Å; P679-A683 WeakPolarHBondContact O-CB 3.33Å; P679-A683 PolarHBondContact O-N 2.86Å; P679-W716 HydrophobicContact CB-CB 4.27Å; P679-W716 HydrophobicContact CB-CD2 4.25Å; P679-W716 HydrophobicContact CB-CG 4.11Å; P679-W716 HydrophobicContact CG-CD2 3.87Å; P679-W716 HydrophobicContact CG-CE3 4.44Å; P679-W716 HydrophobicContact CG-CG 3.91Å
680	E	97.6	Very high	96.2	Very high	71 Å²	71	32.9 Å²	32.9	33%	0.332	16%	0.158	S	C	.	.	H	α-helix	trans	-72	-41.2	176.7	-166.9	-176.1	176.4	0	0	111.2	P677 L678 A683 R684	P677-E680 WeakPolarHBondContact O-CA 3.27Å; P677-E680 VanDerWaalsContact O-CB 3.32Å; P677-E680 WeakPolarHBondContact O-CB 3.48Å; P677-E680 PolarHBondContact O-N 2.98Å; L678-E680 PolarHBondContact O-N 3.11Å; E680-A683 PolarHBondContact O-N 3.43Å; E680-R684 VanDerWaalsContact CD-NH1 3.27Å; E680-R684 WeakPolarHBondContact O-CG 3.44Å; E680-R684 PolarHBondContact O-N 2.92Å; E680-R684 IonicContact OE1-CZ 2.87Å; E680-R684 IonicContact OE1-NH1 3.84Å; E680-R684 PolarHBondContact OE1-NH1 3.19Å; E680-R684 IonicContact OE1-NH2 3.94Å; E680-R684 PolarHBondContact OE1-NH2 3.49Å
681	Y	98.5	Very high	96.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.3	-43.8	176.3	-66.4	-4.3	0	0	0	112.1	G639 L640 L642 R643 Q649 M661 P677 L678 R684 G685 L686 I688	G639-Y681 PolarHBondContact O-OH 3.12Å; G639-Y681 VanDerWaalsContact O-OH 3.11Å; L640-Y681 PolarHBondContact O-OH 2.78Å; L642-Y681 HydrophobicContact CB-CE2 4.45Å; L642-Y681 WeakPolarHBondContact CB-OH 3.28Å; R643-Y681 PolarHBondContact N-OH 3.15Å; Q649-Y681 HydrophobicContact CG-CE1 4.31Å; M661-Y681 HydrophobicContact CE-CD2 4.19Å; M661-Y681 HydrophobicContact CE-CE2 4.11Å; M661-Y681 HydrophobicContact SD-CD2 3.76Å; M661-Y681 HydrophobicContact SD-CE2 4.19Å; P677-Y681 HydrophobicContact CB-CD1 4.09Å; P677-Y681 HydrophobicContact CB-CE1 3.59Å; P677-Y681 HydrophobicContact CB-CE2 4.13Å; P677-Y681 HydrophobicContact CG-CE1 4.1Å; P677-Y681 HydrophobicContact CG-CE2 3.81Å; P677-Y681 WeakPolarHBondContact CG-OH 3.25Å; P677-Y681 PolarHBondContact O-N 2.74Å; L678-Y681 PolarHBondContact O-N 3.16Å; Y681-R684 PolarHBondContact O-N 3.49Å; Y681-G685 PolarHBondContact O-N 2.71Å; Y681-L686 HydrophobicContact CG-CD2 4.29Å; Y681-L686 PolarHBondContact O-N 3.38Å; Y681-L686 VanDerWaalsContact O-N 3.11Å; Y681-I688 HydrophobicContact CD2-CD1 3.97Å; Y681-I688 HydrophobicContact CG-CD1 4.4Å
682	L	98.1	Very high	97.3	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-41.3	174.7	-179.7	64.1	0	0	0	111.1	L678 R684 G685 L718 D722 E725 L726 R772	L678-L682 WeakPolarHBondContact O-CB 3.28Å; L678-L682 PolarHBondContact O-N 3.22Å; L682-R684 VanDerWaalsContact C-N 3.32Å; L682-R684 PolarHBondContact O-N 2.98Å; L682-G685 PolarHBondContact O-N 2.89Å; L682-L718 HydrophobicContact CD2-CD2 4.38Å; L682-D722 HydrophobicContact CD2-CB 4.23Å; L682-E725 HydrophobicContact CD1-CG 4.44Å; L682-L726 HydrophobicContact CD1-CD2 4.02Å; L682-L726 HydrophobicContact CD1-CG 4.33Å; L682-L726 HydrophobicContact CD2-CD1 4.04Å; L682-L726 HydrophobicContact CD2-CD2 4.11Å; L682-L726 HydrophobicContact CD2-CG 4.01Å; L682-R772 VanDerWaalsContact O-CZ 3.22Å; L682-R772 PolarHBondContact O-NH1 3.11Å; L682-R772 PolarHBondContact O-NH2 3.4Å
683	A	98	Very high	97.5	Very high	15 Å²	15	26 Å²	26	12%	0.124	12%	0.123	C	C	.	.	H	α-helix	trans	-58.9	-44.6	173.7	0	0	0	0	0	111.4	Y315 P679 E680 G685 R772	Y315-A683 VanDerWaalsContact CB-O 3.25Å; Y315-A683 WeakPolarHBondContact CB-O 3.46Å; Y315-A683 HydrophobicContact CD1-CB 3.6Å; Y315-A683 HydrophobicContact CE1-CB 4.17Å; Y315-A683 HydrophobicContact CG-CB 4.32Å; P679-A683 VanDerWaalsContact O-CB 3.25Å; P679-A683 WeakPolarHBondContact O-CB 3.33Å; P679-A683 PolarHBondContact O-N 2.86Å; E680-A683 PolarHBondContact O-N 3.43Å; A683-G685 PolarHBondContact O-N 3.27Å; A683-R772 PolarHBondContact O-NH1 3.02Å
684	R	98.3	Very high	97.7	Very high	18 Å²	18	25.3 Å²	25.3	7%	0.068	12%	0.12	C	C	.	.	H	α-helix	trans	-67.5	-17.1	177.6	-73.2	174.8	174.3	139.3	19.8	114.9	L308 L311 S312 Q649 Y653 E680 Y681 L682 L686	L308-R684 PolarHBondContact O-NE 3.47Å; L311-R684 HydrophobicContact CB-CB 4.31Å; L311-R684 HydrophobicContact CB-CG 4.15Å; S312-R684 WeakPolarHBondContact OG-CG 3.42Å; S312-R684 PolarHBondContact OG-NE 3.17Å; S312-R684 PolarHBondContact OG-NH2 2.93Å; Q649-R684 VanDerWaalsContact OE1-CD 3.25Å; Y653-R684 WeakPolarHBondContact CD2-O 3.32Å; Y653-R684 WeakPolarHBondContact CE2-O 3.29Å; E680-R684 VanDerWaalsContact CD-NH1 3.27Å; E680-R684 WeakPolarHBondContact O-CG 3.44Å; E680-R684 PolarHBondContact O-N 2.92Å; E680-R684 IonicContact OE1-CZ 2.87Å; E680-R684 IonicContact OE1-NH1 3.84Å; E680-R684 PolarHBondContact OE1-NH1 3.19Å; E680-R684 IonicContact OE1-NH2 3.94Å; E680-R684 PolarHBondContact OE1-NH2 3.49Å; Y681-R684 PolarHBondContact O-N 3.49Å; L682-R684 VanDerWaalsContact C-N 3.32Å; L682-R684 PolarHBondContact O-N 2.98Å; R684-L686 HydrophobicContact CB-CD1 3.69Å
685	G	98.4	Very high	97.8	Very high	9 Å²	9	17.8 Å²	17.8	9%	0.093	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	27.2	-179.6	0	0	0	0	0	114	Y653 Q656 Y681 L682 A683	Y653-G685 WeakPolarHBondContact CD2-O 3.49Å; Q656-G685 PolarHBondContact NE2-O 2.92Å; Q656-G685 VanDerWaalsContact NE2-O 3.14Å; Y681-G685 PolarHBondContact O-N 2.71Å; L682-G685 PolarHBondContact O-N 2.89Å; A683-G685 PolarHBondContact O-N 3.27Å
686	L	98.7	Very high	97.8	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.01	6%	0.055	C	C	.	.			trans	-67.9	149.3	161.1	-74.5	78.9	0	0	0	108.9	Q649 I659 Y681 R684 I688	Q649-L686 HydrophobicContact CG-CD1 4.46Å; Q649-L686 HydrophobicContact CG-CD2 4.04Å; I659-L686 HydrophobicContact CD1-CD2 3.83Å; Y681-L686 HydrophobicContact CG-CD2 4.29Å; Y681-L686 PolarHBondContact O-N 3.38Å; Y681-L686 VanDerWaalsContact O-N 3.11Å; R684-L686 HydrophobicContact CB-CD1 3.69Å; L686-I688 HydrophobicContact CB-CD1 3.79Å; L686-I688 HydrophobicContact CB-CG1 4.2Å; L686-I688 PolarHBondContact O-N 3.16Å; L686-I688 VanDerWaalsContact O-N 3.09Å
687	I	98.1	Very high	97.6	Very high	31 Å²	31	9.5 Å²	9.5	16%	0.159	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	95	176.9	-61.5	-57.8	0	0	0	108.6	Q656 G658 I659 N729 M733	Q656-I687 HydrophobicContact CB-CG1 3.95Å; Q656-I687 HydrophobicContact CG-CG1 4.49Å; Q656-I687 VanDerWaalsContact OE1-CD1 3.31Å; G658-I687 CarbonylContact C-O 3.59Å; G658-I687 WeakPolarHBondContact CA-O 3.26Å; I659-I687 PolarHBondContact N-O 3.16Å; I687-N729 HydrophobicContact CG2-CB 4.15Å; I687-M733 HydrophobicContact CG2-CG 3.86Å; I687-M733 HydrophobicContact CG2-SD 3.79Å
688	I	98.3	Very high	97.4	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	142.9	179.4	-47.5	-57	0	0	0	110.4	I659 M661 L678 Y681 L686 L726 N729	I659-I688 HydrophobicContact CB-CD1 3.72Å; I659-I688 HydrophobicContact CD1-CD1 3.83Å; I659-I688 HydrophobicContact CG1-CD1 4.13Å; I659-I688 HydrophobicContact CG2-CD1 4.41Å; I659-I688 WeakPolarHBondContact O-CA 3.42Å; M661-I688 HydrophobicContact CB-CG2 4.23Å; M661-I688 HydrophobicContact CG-CG2 3.83Å; M661-I688 HydrophobicContact SD-CD1 4.18Å; M661-I688 HydrophobicContact SD-CG2 3.68Å; L678-I688 HydrophobicContact CD1-CG2 4.29Å; L678-I688 HydrophobicContact CG-CG2 4.04Å; Y681-I688 HydrophobicContact CD2-CD1 3.97Å; Y681-I688 HydrophobicContact CG-CD1 4.4Å; L686-I688 HydrophobicContact CB-CD1 3.79Å; L686-I688 HydrophobicContact CB-CG1 4.2Å; L686-I688 PolarHBondContact O-N 3.16Å; L686-I688 VanDerWaalsContact O-N 3.09Å; I688-L726 HydrophobicContact CB-CD2 4.17Å; I688-L726 HydrophobicContact CG2-CD2 4.32Å; I688-L726 WeakPolarHBondContact O-CD2 3.39Å; I688-N729 WeakPolarHBondContact O-CB 3.41Å; I688-N729 PolarHBondContact O-ND2 3.43Å
689	S	98.3	Very high	97.4	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	151.8	161.1	58	0	0	0	0	110.9	T346 I659 A660 M661 M733	T346-S689 PolarHBondContact OG1-OG 3.37Å; I659-S689 PolarHBondContact O-N 3.42Å; A660-S689 WeakPolarHBondContact CA-OG 3.38Å; M661-S689 PolarHBondContact N-O 2.9Å; S689-M733 WeakPolarHBondContact OG-CE 3.26Å
690	L	98.5	Very high	97.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	143.2	165	-82	168.6	0	0	0	110.1	M661 P663 L678 Y709 A712 L726	M661-L690 WeakPolarHBondContact O-CA 3.16Å; P663-L690 HydrophobicContact CG-CD2 3.69Å; L678-L690 HydrophobicContact CD1-CD2 3.4Å; L678-L690 HydrophobicContact CD1-CG 4.07Å; L690-Y709 HydrophobicContact CB-CD2 4.09Å; L690-Y709 HydrophobicContact CB-CE2 3.75Å; L690-Y709 HydrophobicContact CD1-CD1 3.75Å; L690-Y709 HydrophobicContact CD1-CD2 4.07Å; L690-Y709 HydrophobicContact CD1-CE1 4.04Å; L690-Y709 HydrophobicContact CD1-CE2 4.33Å; L690-Y709 HydrophobicContact CD1-CG 3.78Å; L690-A712 HydrophobicContact CD1-CB 3.87Å; L690-A712 HydrophobicContact CD2-CB 4.39Å; L690-L726 HydrophobicContact CD1-CD1 3.95Å; L690-L726 HydrophobicContact CG-CD1 4.34Å
691	S	98.4	Very high	97	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.			trans	-149.5	165.3	-177.5	47.5	0	0	0	0	111.6	D345 H347 M661 S662	D345-S691 VanDerWaalsContact OD1-CA 3.25Å; D345-S691 WeakPolarHBondContact OD1-CA 3.46Å; D345-S691 WeakPolarHBondContact OD1-CB 3.34Å; H347-S691 WeakPolarHBondContact CB-OG 3.42Å; H347-S691 WeakPolarHBondContact O-CB 3.4Å; M661-S691 VanDerWaalsContact C-OG 3.22Å; M661-S691 PolarHBondContact N-OG 3.28Å; M661-S691 PolarHBondContact O-N 3Å; M661-S691 PolarHBondContact O-OG 3.18Å; S662-S691 WeakPolarHBondContact CA-O 3.42Å; S662-S691 WeakPolarHBondContact CB-O 3.32Å; S662-S691 PolarHBondContact OG-O 3.24Å; S662-S691 PolarHBondContact OG-OG 2.93Å
692	T	98.4	Very high	96.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.			trans	-106.2	-19	-168.2	63.1	0	0	0	0	116.1	D345 H347 D694 P695 H699 P704 L705	D345-T692 PolarHBondContact OD1-N 3.26Å; D345-T692 VanDerWaalsContact OD2-CB 3.28Å; D345-T692 WeakPolarHBondContact OD2-CB 3.25Å; D345-T692 WeakPolarHBondContact OD2-CG2 3.32Å; D345-T692 PolarHBondContact OD2-N 2.67Å; D345-T692 PolarHBondContact OD2-OG1 3.42Å; H347-T692 PolarHBondContact O-N 3.07Å; T692-D694 PolarHBondContact O-N 3.32Å; T692-P695 WeakPolarHBondContact OG1-CD 3.39Å; T692-P695 VanDerWaalsContact OG1-CG 3.28Å; T692-P695 WeakPolarHBondContact OG1-CG 3.45Å; T692-H699 PolarHBondContact O-CE1 3.4Å; T692-P704 VanDerWaalsContact CG2-C 3.46Å; T692-P704 HydrophobicContact CG2-CB 3.87Å; T692-P704 HydrophobicContact CG2-CG 4.34Å; T692-L705 VanDerWaalsContact CG2-CA 3.46Å; T692-L705 HydrophobicContact CG2-CB 4.02Å; T692-L705 HydrophobicContact CG2-CD1 4.15Å; T692-L705 VanDerWaalsContact CG2-N 3.32Å
693	D	97.3	Very high	96.5	Very high	4 Å²	4	22 Å²	22	2%	0.021	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	63.8	-90.1	-178.5	-144.4	-6.3	0	0	0	112.5	H347 I348 H349 H638 S665 P695 F698	H347-D693 IonicContact CE1-OD1 2.69Å; H347-D693 PolarHBondContact CE1-OD1 3.5Å; H347-D693 IonicContact ND1-OD1 3.79Å; H347-D693 IonicContact NE2-OD1 2.99Å; H347-D693 PolarHBondContact NE2-OD1 3.01Å; H347-D693 WeakPolarHBondContact O-CA 3.3Å; H347-D693 PolarHBondContact O-N 2.84Å; I348-D693 WeakPolarHBondContact CA-O 3.42Å; H349-D693 IonicContact CD2-OD1 2.68Å; H349-D693 PolarHBondContact CD2-OD1 3.42Å; H349-D693 PolarHBondContact N-O 3.13Å; H349-D693 IonicContact NE2-OD1 2.82Å; H349-D693 PolarHBondContact NE2-OD1 3.24Å; H638-D693 IonicContact CE1-OD2 2.78Å; H638-D693 PolarHBondContact CE1-OD2 3.33Å; S665-D693 WeakPolarHBondContact CB-OD2 3.42Å; S665-D693 PolarHBondContact OG-OD2 2.9Å; D693-P695 WeakPolarHBondContact O-CD 3.44Å; D693-F698 HydrophobicContact CB-CD2 4.48Å; D693-F698 HydrophobicContact CB-CE2 4.35Å
694	D	97.1	Very high	96.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.			trans	-120.2	86.7	175.1	-67.8	-90	0	0	0	111.7	H349 S352 F419 Y423 T692 L696 Q697 F698	H349-D694 IonicContact CD2-OD1 2.78Å; H349-D694 IonicContact CD2-OD2 3.83Å; S352-D694 WeakPolarHBondContact CB-OD1 3.22Å; S352-D694 PolarHBondContact OG-OD1 2.98Å; F419-D694 WeakPolarHBondContact CE2-OD2 3.46Å; F419-D694 VanDerWaalsContact CZ-OD2 3.22Å; F419-D694 WeakPolarHBondContact CZ-OD2 3.4Å; Y423-D694 WeakPolarHBondContact CE1-OD1 3.45Å; Y423-D694 PolarHBondContact OH-OD1 2.84Å; T692-D694 PolarHBondContact O-N 3.32Å; D694-L696 PolarHBondContact O-N 3.28Å; D694-L696 VanDerWaalsContact O-N 3.1Å; D694-Q697 HydrophobicContact CB-CB 3.85Å; D694-Q697 HydrophobicContact CB-CG 3.8Å; D694-Q697 VanDerWaalsContact CG-NE2 3.3Å; D694-Q697 PolarHBondContact O-N 2.88Å; D694-Q697 PolarHBondContact OD1-NE2 3.13Å; D694-Q697 VanDerWaalsContact OD1-NE2 3.13Å; D694-F698 HydrophobicContact CB-CD2 3.77Å; D694-F698 HydrophobicContact CB-CE2 3.66Å; D694-F698 WeakPolarHBondContact O-CD2 3.37Å; D694-F698 PolarHBondContact O-N 3.47Å
695	P	97	Very high	96.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-48	-34.8	168.8	-32.1	36.1	0	0	0	115	I348 S352 T692 D693 Q697 H699 P704	I348-P695 HydrophobicContact CD1-CG 3.89Å; I348-P695 HydrophobicContact CG1-CG 4.31Å; S352-P695 WeakPolarHBondContact O-CB 3.47Å; S352-P695 VanDerWaalsContact O-CD 3.24Å; S352-P695 WeakPolarHBondContact O-CD 3.32Å; T692-P695 WeakPolarHBondContact OG1-CD 3.39Å; T692-P695 VanDerWaalsContact OG1-CG 3.28Å; T692-P695 WeakPolarHBondContact OG1-CG 3.45Å; D693-P695 WeakPolarHBondContact O-CD 3.44Å; P695-Q697 VanDerWaalsContact C-N 3.27Å; P695-Q697 PolarHBondContact O-N 3.3Å; P695-H699 WeakPolarHBondContact O-CB 3.19Å; P695-H699 PolarHBondContact O-N 2.89Å; P695-P704 HydrophobicContact CB-CB 3.77Å; P695-P704 HydrophobicContact CB-CG 3.81Å; P695-P704 HydrophobicContact CG-CB 3.87Å; P695-P704 HydrophobicContact CG-CG 3.77Å
696	L	94.8	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.8	-34.7	177.5	-174.5	60.5	0	0	0	113	S352 M354 Q356 L359 V406 L436 D694	S352-L696 WeakPolarHBondContact O-CB 3.45Å; S352-L696 PolarHBondContact O-N 2.72Å; M354-L696 WeakPolarHBondContact O-CA 3.41Å; M354-L696 VanDerWaalsContact O-CB 3.3Å; M354-L696 WeakPolarHBondContact O-CB 3.47Å; M354-L696 WeakPolarHBondContact O-CD1 3.22Å; M354-L696 PolarHBondContact O-N 3.08Å; Q356-L696 HydrophobicContact CB-CD1 4.41Å; L359-L696 HydrophobicContact CB-CD1 4.06Å; L359-L696 HydrophobicContact CD2-CD1 3.77Å; L359-L696 HydrophobicContact CD2-CD2 4.1Å; V406-L696 HydrophobicContact CB-CD1 4.27Å; V406-L696 HydrophobicContact CB-CD2 4.35Å; V406-L696 HydrophobicContact CB-CG 4.04Å; V406-L696 HydrophobicContact CG1-CD2 4.44Å; V406-L696 HydrophobicContact CG2-CD1 3.81Å; V406-L696 HydrophobicContact CG2-CG 4.07Å; L436-L696 HydrophobicContact CD1-CD2 4.45Å; D694-L696 PolarHBondContact O-N 3.28Å; D694-L696 VanDerWaalsContact O-N 3.1Å
697	Q	92.8	Very high	96.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-102	-25.6	-170	-55.4	-167.8	53.6	0	0	113.7	V406 H407 A408 F419 K422 D694 P695	V406-Q697 WeakPolarHBondContact O-CA 3.21Å; V406-Q697 WeakPolarHBondContact O-CG 3.09Å; H407-Q697 PolarHBondContact CE1-O 3.31Å; H407-Q697 PolarHBondContact ND1-O 3.14Å; H407-Q697 PolarHBondContact NE2-O 3.05Å; A408-Q697 HydrophobicContact CB-CB 4.46Å; A408-Q697 PolarHBondContact N-O 3.1Å; F419-Q697 VanDerWaalsContact CE2-CD 3.48Å; F419-Q697 VanDerWaalsContact CE2-OE1 3.26Å; K422-Q697 HydrophobicContact CB-CG 4.36Å; K422-Q697 VanDerWaalsContact CB-OE1 3.31Å; D694-Q697 HydrophobicContact CB-CB 3.85Å; D694-Q697 HydrophobicContact CB-CG 3.8Å; D694-Q697 VanDerWaalsContact CG-NE2 3.3Å; D694-Q697 PolarHBondContact O-N 2.88Å; D694-Q697 PolarHBondContact OD1-NE2 3.13Å; D694-Q697 VanDerWaalsContact OD1-NE2 3.13Å; P695-Q697 VanDerWaalsContact C-N 3.27Å; P695-Q697 PolarHBondContact O-N 3.3Å
698	F	94.4	Very high	96.3	Very high	7 Å²	7	21.3 Å²	21.3	3%	0.031	10%	0.103	C	C	.	.	H	α-helix	trans	-122.2	-9.9	-169.4	-51.8	-54.8	0	0	0	115.4	A408 F419 L664 S665 S668 L669 D693 D694	A408-F698 HydrophobicContact CB-CD1 3.72Å; A408-F698 HydrophobicContact CB-CE1 3.47Å; A408-F698 VanDerWaalsContact CB-CE1 3.47Å; F419-F698 HydrophobicContact CD2-CZ 4.05Å; F419-F698 HydrophobicContact CE2-CE2 4.1Å; F419-F698 AromaticContact CE2-CZ 3.6Å; F419-F698 HydrophobicContact CE2-CZ 3.6Å; L664-F698 HydrophobicContact CB-CB 4.29Å; S665-F698 VanDerWaalsContact OG-CE2 3.27Å; S665-F698 WeakPolarHBondContact OG-CE2 3.16Å; S668-F698 VanDerWaalsContact CB-CE1 3.49Å; L669-F698 HydrophobicContact CD1-CZ 4.07Å; L669-F698 HydrophobicContact CD2-CZ 4.43Å; L669-F698 HydrophobicContact CG-CE1 4.43Å; L669-F698 HydrophobicContact CG-CZ 4.11Å; D693-F698 HydrophobicContact CB-CD2 4.48Å; D693-F698 HydrophobicContact CB-CE2 4.35Å; D694-F698 HydrophobicContact CB-CD2 3.77Å; D694-F698 HydrophobicContact CB-CE2 3.66Å; D694-F698 WeakPolarHBondContact O-CD2 3.37Å; D694-F698 PolarHBondContact O-N 3.47Å
699	H	96.5	Very high	96.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.			trans	-124.5	142.3	-168.5	-64.1	72.9	0	0	0	113.1	T692 P695 P704 E707 E708	T692-H699 PolarHBondContact O-CE1 3.4Å; P695-H699 WeakPolarHBondContact O-CB 3.19Å; P695-H699 PolarHBondContact O-N 2.89Å; H699-P704 HydrophobicContact CB-CB 3.84Å; H699-P704 VanDerWaalsContact CD2-CB 3.46Å; H699-P704 WeakPolarHBondContact CD2-CB 3.5Å; H699-P704 PolarHBondContact CD2-O 3.2Å; H699-P704 PolarHBondContact NE2-O 2.89Å; H699-E707 WeakPolarHBondContact CB-OE2 3.49Å; H699-E707 IonicContact CD2-OE2 3.83Å; H699-E708 WeakPolarHBondContact NE2-CG 2.94Å
700	F	93.7	Very high	96.3	Very high	131 Å²	131	23.9 Å²	23.9	58%	0.575	12%	0.121	S	C	*	.			trans	-104.4	-21.8	-178.1	-63.5	-81	0	0	0	114	H407 E707	H407-F700 AromaticContact CD2-CE1 3.97Å; H407-F700 AromaticContact CE1-CE2 3.99Å; H407-F700 AromaticContact CE1-CZ 3.53Å; H407-F700 AromaticContact NE2-CE1 3.56Å; H407-F700 AromaticContact NE2-CE2 3.72Å; H407-F700 AromaticContact NE2-CZ 3.29Å; H407-F700 VanDerWaalsContact NE2-CZ 3.29Å; H407-F700 WeakPolarHBondContact NE2-CZ 3.38Å; F700-E707 PolarHBondContact N-OE1 3.39Å; F700-E707 PolarHBondContact N-OE2 3.05Å; F700-E707 VanDerWaalsContact N-OE2 3.11Å
701	T	94.3	Very high	96.3	Very high	60 Å²	60	26.6 Å²	26.6	37%	0.368	13%	0.134	S	C	.	.	S	Bend	trans	-92.5	165.3	-172.5	71.7	0	0	0	0	113.4	N355 E703 E707	N355-T701 PolarHBondContact ND2-O 3.25Å; T701-E703 PolarHBondContact O-N 2.9Å; T701-E703 PolarHBondContact OG1-N 2.73Å; T701-E703 PolarHBondContact OG1-O 3.44Å; T701-E707 VanDerWaalsContact CB-OE2 3.25Å; T701-E707 WeakPolarHBondContact CB-OE2 3.45Å; T701-E707 HydrophobicContact CG2-CB 4.09Å; T701-E707 HydrophobicContact CG2-CG 4.17Å; T701-E707 VanDerWaalsContact CG2-OE2 3.3Å; T701-E707 WeakPolarHBondContact CG2-OE2 3.37Å; T701-E707 PolarHBondContact N-OE2 3Å; T701-E707 WeakPolarHBondContact OG1-CB 3.47Å; T701-E707 PolarHBondContact OG1-OE2 2.92Å
702	K	91.3	Very high	96.2	Very high	103 Å²	103	26.6 Å²	26.6	45%	0.448	13%	0.134	S	C	.	.	S	Bend	trans	-67.2	-23.7	174	-162.9	-162	170.5	-160.6	0	112.2	D457 E460 P704	D457-K702 WeakPolarHBondContact OD1-CE 3.35Å; D457-K702 IonicContact OD1-NZ 3.29Å; D457-K702 PolarHBondContact OD1-NZ 3.28Å; D457-K702 WeakPolarHBondContact OD2-CE 3.37Å; D457-K702 IonicContact OD2-NZ 3.43Å; E460-K702 IonicContact OE2-NZ 3.72Å; E460-K702 PolarHBondContact OE2-NZ 2.9Å; K702-P704 WeakPolarHBondContact O-CD 3.26Å
703	E	94.6	Very high	96.2	Very high	83 Å²	83	27.3 Å²	27.3	39%	0.388	14%	0.14	S	C	.	.			trans	-119.7	75.4	-173.8	-63.6	176.6	80.3	0	0	109.2	Q464 T701 L705 M706 E707	Q464-E703 PolarHBondContact NE2-OE1 3.07Å; T701-E703 PolarHBondContact O-N 2.9Å; T701-E703 PolarHBondContact OG1-N 2.73Å; T701-E703 PolarHBondContact OG1-O 3.44Å; E703-L705 VanDerWaalsContact C-N 3.28Å; E703-L705 PolarHBondContact O-N 3.24Å; E703-M706 HydrophobicContact CB-CB 3.8Å; E703-M706 HydrophobicContact CB-CG 3.96Å; E703-M706 WeakPolarHBondContact O-CA 3.45Å; E703-M706 WeakPolarHBondContact O-CB 3.5Å; E703-M706 PolarHBondContact O-N 3.28Å; E703-E707 PolarHBondContact O-N 3.44Å
704	P	97	Very high	96.1	Very high	20 Å²	20	34.7 Å²	34.7	13%	0.13	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-37.7	-168.5	24.7	-35.9	0	0	0	112.5	T692 P695 H699 K702 M706 E707 E708	T692-P704 VanDerWaalsContact CG2-C 3.46Å; T692-P704 HydrophobicContact CG2-CB 3.87Å; T692-P704 HydrophobicContact CG2-CG 4.34Å; P695-P704 HydrophobicContact CB-CB 3.77Å; P695-P704 HydrophobicContact CB-CG 3.81Å; P695-P704 HydrophobicContact CG-CB 3.87Å; P695-P704 HydrophobicContact CG-CG 3.77Å; H699-P704 HydrophobicContact CB-CB 3.84Å; H699-P704 VanDerWaalsContact CD2-CB 3.46Å; H699-P704 WeakPolarHBondContact CD2-CB 3.5Å; H699-P704 PolarHBondContact CD2-O 3.2Å; H699-P704 PolarHBondContact NE2-O 2.89Å; K702-P704 WeakPolarHBondContact O-CD 3.26Å; P704-M706 VanDerWaalsContact C-N 3.32Å; P704-M706 PolarHBondContact O-N 2.97Å; P704-E707 WeakPolarHBondContact O-CB 3.47Å; P704-E707 PolarHBondContact O-N 2.9Å; P704-E708 PolarHBondContact O-N 3.43Å
705	L	97.9	Very high	96.1	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-40.8	175.2	-171.9	67.1	0	0	0	111.3	K343 D345 T692 E703 E707 E708 Y709	K343-L705 HydrophobicContact CB-CD2 4.43Å; D345-L705 HydrophobicContact CB-CD1 4.07Å; D345-L705 HydrophobicContact CB-CD2 4.15Å; T692-L705 VanDerWaalsContact CG2-CA 3.46Å; T692-L705 HydrophobicContact CG2-CB 4.02Å; T692-L705 HydrophobicContact CG2-CD1 4.15Å; T692-L705 VanDerWaalsContact CG2-N 3.32Å; E703-L705 VanDerWaalsContact C-N 3.28Å; E703-L705 PolarHBondContact O-N 3.24Å; L705-E707 VanDerWaalsContact C-N 3.32Å; L705-E707 PolarHBondContact O-N 2.88Å; L705-E708 PolarHBondContact O-N 3.43Å; L705-Y709 HydrophobicContact CD1-CD2 4.17Å; L705-Y709 HydrophobicContact CD1-CE2 3.86Å; L705-Y709 HydrophobicContact CD2-CE2 4.39Å; L705-Y709 HydrophobicContact CG-CD2 4.03Å; L705-Y709 HydrophobicContact CG-CE2 3.92Å; L705-Y709 VanDerWaalsContact O-CD2 3.3Å; L705-Y709 WeakPolarHBondContact O-CD2 3.46Å; L705-Y709 PolarHBondContact O-N 2.65Å; L705-Y709 VanDerWaalsContact O-N 3.1Å
706	M	97.1	Very high	96.2	Very high	15 Å²	15	39.4 Å²	39.4	7%	0.074	20%	0.198	C	C	.	.	H	α-helix	trans	-67.7	-32	177.1	-68.1	-62.3	-59.8	0	0	112.5	F338 Y339 K343 E703 P704 S710	F338-M706 HydrophobicContact CD1-CE 4.39Å; F338-M706 HydrophobicContact CE1-CE 3.65Å; F338-M706 HydrophobicContact CE1-SD 4.22Å; F338-M706 HydrophobicContact CZ-CE 4.38Å; F338-M706 HydrophobicContact CZ-SD 4.39Å; Y339-M706 HydrophobicContact CD1-CE 3.74Å; Y339-M706 HydrophobicContact CE1-CE 3.53Å; K343-M706 HydrophobicContact CD-SD 4.25Å; K343-M706 PolarHBondContact NZ-SD 2.75Å; E703-M706 HydrophobicContact CB-CB 3.8Å; E703-M706 HydrophobicContact CB-CG 3.96Å; E703-M706 WeakPolarHBondContact O-CA 3.45Å; E703-M706 WeakPolarHBondContact O-CB 3.5Å; E703-M706 PolarHBondContact O-N 3.28Å; P704-M706 VanDerWaalsContact C-N 3.32Å; P704-M706 PolarHBondContact O-N 2.97Å; M706-S710 VanDerWaalsContact O-CB 3.22Å; M706-S710 WeakPolarHBondContact O-CB 3.26Å; M706-S710 PolarHBondContact O-N 3.27Å; M706-S710 PolarHBondContact O-OG 3.07Å
707	E	97.6	Very high	96.2	Very high	19 Å²	19	48.3 Å²	48.3	9%	0.089	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-45.3	172.1	172	171.6	-164.2	0	0	111.4	L664 H699 F700 T701 E703 P704 L705 S710 I711	L664-E707 HydrophobicContact CD1-CG 4.49Å; H699-E707 WeakPolarHBondContact CB-OE2 3.49Å; H699-E707 IonicContact CD2-OE2 3.83Å; F700-E707 PolarHBondContact N-OE1 3.39Å; F700-E707 PolarHBondContact N-OE2 3.05Å; F700-E707 VanDerWaalsContact N-OE2 3.11Å; T701-E707 VanDerWaalsContact CB-OE2 3.25Å; T701-E707 WeakPolarHBondContact CB-OE2 3.45Å; T701-E707 HydrophobicContact CG2-CB 4.09Å; T701-E707 HydrophobicContact CG2-CG 4.17Å; T701-E707 VanDerWaalsContact CG2-OE2 3.3Å; T701-E707 WeakPolarHBondContact CG2-OE2 3.37Å; T701-E707 PolarHBondContact N-OE2 3Å; T701-E707 WeakPolarHBondContact OG1-CB 3.47Å; T701-E707 PolarHBondContact OG1-OE2 2.92Å; E703-E707 PolarHBondContact O-N 3.44Å; P704-E707 WeakPolarHBondContact O-CB 3.47Å; P704-E707 PolarHBondContact O-N 2.9Å; L705-E707 VanDerWaalsContact C-N 3.32Å; L705-E707 PolarHBondContact O-N 2.88Å; E707-S710 PolarHBondContact O-N 3.06Å; E707-I711 HydrophobicContact CG-CD1 3.85Å; E707-I711 WeakPolarHBondContact O-CG1 3.42Å; E707-I711 PolarHBondContact O-N 3.45Å
708	E	98	Very high	96.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-50.3	174.6	-91.2	-74.7	-150.5	0	0	113.1	P663 L664 Y673 H699 P704 L705 S710 I711 A712	P663-E708 VanDerWaalsContact CD-OE1 3.24Å; P663-E708 WeakPolarHBondContact CD-OE1 3.37Å; P663-E708 VanDerWaalsContact N-OE1 3.13Å; L664-E708 WeakPolarHBondContact CB-OE1 3.33Å; L664-E708 HydrophobicContact CD1-CG 3.84Å; L664-E708 VanDerWaalsContact CG-CD 3.48Å; L664-E708 HydrophobicContact CG-CG 4.26Å; L664-E708 WeakPolarHBondContact CG-OE1 3.43Å; L664-E708 PolarHBondContact N-OE1 3.48Å; Y673-E708 PolarHBondContact OH-OE2 3.08Å; H699-E708 WeakPolarHBondContact NE2-CG 2.94Å; P704-E708 PolarHBondContact O-N 3.43Å; L705-E708 PolarHBondContact O-N 3.43Å; E708-S710 PolarHBondContact O-N 2.97Å; E708-I711 PolarHBondContact O-N 2.95Å; E708-A712 WeakPolarHBondContact O-CB 3.32Å; E708-A712 PolarHBondContact O-N 3.49Å
709	Y	98.2	Very high	96.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.5	-36.7	175.1	-85.2	-94.5	0	0	0	111.9	F338 L690 L705 A713 M723 L726 A727	F338-Y709 AromaticContact CE2-CD1 3.43Å; F338-Y709 HydrophobicContact CE2-CD1 3.43Å; F338-Y709 VanDerWaalsContact CE2-CD1 3.43Å; F338-Y709 AromaticContact CE2-CE1 3.74Å; F338-Y709 HydrophobicContact CE2-CE1 3.74Å; F338-Y709 HydrophobicContact CE2-CG 4.05Å; F338-Y709 AromaticContact CZ-CD1 3.37Å; F338-Y709 HydrophobicContact CZ-CD1 3.37Å; F338-Y709 HydrophobicContact CZ-CD2 4.34Å; F338-Y709 HydrophobicContact CZ-CE1 4.09Å; F338-Y709 AromaticContact CZ-CG 3.52Å; F338-Y709 HydrophobicContact CZ-CG 3.52Å; L690-Y709 HydrophobicContact CB-CD2 4.09Å; L690-Y709 HydrophobicContact CB-CE2 3.75Å; L690-Y709 HydrophobicContact CD1-CD1 3.75Å; L690-Y709 HydrophobicContact CD1-CD2 4.07Å; L690-Y709 HydrophobicContact CD1-CE1 4.04Å; L690-Y709 HydrophobicContact CD1-CE2 4.33Å; L690-Y709 HydrophobicContact CD1-CG 3.78Å; L705-Y709 HydrophobicContact CD1-CD2 4.17Å; L705-Y709 HydrophobicContact CD1-CE2 3.86Å; L705-Y709 HydrophobicContact CD2-CE2 4.39Å; L705-Y709 HydrophobicContact CG-CD2 4.03Å; L705-Y709 HydrophobicContact CG-CE2 3.92Å; L705-Y709 VanDerWaalsContact O-CD2 3.3Å; L705-Y709 WeakPolarHBondContact O-CD2 3.46Å; L705-Y709 PolarHBondContact O-N 2.65Å; L705-Y709 VanDerWaalsContact O-N 3.1Å; Y709-A713 WeakPolarHBondContact O-CB 3.49Å; Y709-A713 PolarHBondContact O-N 3.12Å; Y709-M723 HydrophobicContact CD1-CE 4.4Å; Y709-M723 HydrophobicContact CD1-SD 3.75Å; Y709-M723 HydrophobicContact CG-SD 4.45Å; Y709-M723 WeakPolarHBondContact O-CE 3.4Å; Y709-M723 VanDerWaalsContact O-SD 3.41Å; Y709-L726 HydrophobicContact CE1-CB 3.8Å; Y709-L726 PolarHBondContact OH-O 2.78Å; Y709-A727 WeakPolarHBondContact OH-CA 3.5Å; Y709-A727 PolarHBondContact OH-N 3.35Å
710	S	97.6	Very high	96.5	Very high	54 Å²	54	53 Å²	53	38%	0.378	27%	0.269	S	S	.	.	H	α-helix	trans	-69.6	-45.3	178.7	-61	0	0	0	0	112.2	M706 E707 E708 A713 Q714	M706-S710 VanDerWaalsContact O-CB 3.22Å; M706-S710 WeakPolarHBondContact O-CB 3.26Å; M706-S710 PolarHBondContact O-N 3.27Å; M706-S710 PolarHBondContact O-OG 3.07Å; E707-S710 PolarHBondContact O-N 3.06Å; E708-S710 PolarHBondContact O-N 2.97Å; S710-A713 PolarHBondContact O-N 3.33Å; S710-Q714 WeakPolarHBondContact O-CG 3.32Å; S710-Q714 PolarHBondContact O-N 3.04Å
711	I	97.6	Very high	96.7	Very high	56 Å²	56	46.9 Å²	46.9	29%	0.287	24%	0.242	S	C	.	.	H	α-helix	trans	-68.8	-44.5	179.9	-66.4	170.6	0	0	0	110.1	L664 Y673 E707 E708 A713 Q714 V715	L664-I711 HydrophobicContact CD1-CD1 4.04Å; L664-I711 HydrophobicContact CD2-CD1 4.08Å; Y673-I711 HydrophobicContact CE1-CG2 4.15Å; Y673-I711 HydrophobicContact CE2-CG2 3.98Å; E707-I711 HydrophobicContact CG-CD1 3.85Å; E707-I711 WeakPolarHBondContact O-CG1 3.42Å; E707-I711 PolarHBondContact O-N 3.45Å; E708-I711 PolarHBondContact O-N 2.95Å; I711-A713 VanDerWaalsContact C-N 3.31Å; I711-A713 PolarHBondContact O-N 3.14Å; I711-Q714 PolarHBondContact O-N 3.07Å; I711-V715 HydrophobicContact CG2-CG2 3.98Å; I711-V715 WeakPolarHBondContact O-CB 3.38Å; I711-V715 WeakPolarHBondContact O-CG2 3.25Å; I711-V715 PolarHBondContact O-N 3.42Å
712	A	97.7	Very high	96.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57	-44	174.7	0	0	0	0	0	111.7	Y673 L690 E708 W716 L718	Y673-A712 WeakPolarHBondContact OH-CA 3.47Å; Y673-A712 PolarHBondContact OH-N 3.24Å; L690-A712 HydrophobicContact CD1-CB 3.87Å; L690-A712 HydrophobicContact CD2-CB 4.39Å; E708-A712 WeakPolarHBondContact O-CB 3.32Å; E708-A712 PolarHBondContact O-N 3.49Å; A712-W716 HydrophobicContact CB-CE3 3.74Å; A712-W716 HydrophobicContact CB-CZ3 3.66Å; A712-W716 WeakPolarHBondContact O-CB 3.36Å; A712-W716 PolarHBondContact O-N 2.99Å; A712-L718 HydrophobicContact CB-CD1 4.06Å
713	A	97.2	Very high	97.2	Very high	15 Å²	15	40.6 Å²	40.6	12%	0.124	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-44.6	176.9	0	0	0	0	0	113.2	Y709 S710 I711 K717 L718 M723	Y709-A713 WeakPolarHBondContact O-CB 3.49Å; Y709-A713 PolarHBondContact O-N 3.12Å; S710-A713 PolarHBondContact O-N 3.33Å; I711-A713 VanDerWaalsContact C-N 3.31Å; I711-A713 PolarHBondContact O-N 3.14Å; A713-K717 CarbonylContact O-C 3.55Å; A713-K717 WeakPolarHBondContact O-CA 3.49Å; A713-K717 PolarHBondContact O-N 3.21Å; A713-L718 HydrophobicContact CB-CB 4.46Å; A713-L718 PolarHBondContact O-N 3.31Å; A713-L718 VanDerWaalsContact O-N 3.17Å; A713-M723 HydrophobicContact CB-CE 3.79Å; A713-M723 HydrophobicContact CB-CG 4.49Å; A713-M723 HydrophobicContact CB-SD 3.76Å
714	Q	97	Very high	97.3	Very high	160 Å²	160	36.7 Å²	36.7	75%	0.748	19%	0.193	S	C	*	.	H	α-helix	trans	-73	-41.7	-179	-64.3	-58.4	-32.8	0	0	112.2	S710 I711	S710-Q714 WeakPolarHBondContact O-CG 3.32Å; S710-Q714 PolarHBondContact O-N 3.04Å; I711-Q714 PolarHBondContact O-N 3.07Å
715	V	97	Very high	97.4	Very high	54 Å²	54	36.4 Å²	36.4	33%	0.327	19%	0.19	S	C	.	.	H	α-helix	trans	-76.5	-40	-175.2	177.8	0	0	0	0	112.3	Y673 H674 I711	Y673-V715 HydrophobicContact CD1-CB 4.22Å; Y673-V715 HydrophobicContact CD1-CG1 3.79Å; Y673-V715 HydrophobicContact CD1-CG2 4.41Å; Y673-V715 HydrophobicContact CE1-CB 3.97Å; Y673-V715 HydrophobicContact CE1-CG1 4.03Å; Y673-V715 HydrophobicContact CE1-CG2 4.25Å; H674-V715 WeakPolarHBondContact ND1-CG1 3.32Å; I711-V715 HydrophobicContact CG2-CG2 3.98Å; I711-V715 WeakPolarHBondContact O-CB 3.38Å; I711-V715 WeakPolarHBondContact O-CG2 3.25Å; I711-V715 PolarHBondContact O-N 3.42Å
716	W	97.2	Very high	97.5	Very high	44 Å²	44	36.1 Å²	36.1	17%	0.167	19%	0.188	C	C	.	.	H	α-helix	trans	-102.7	3.8	-179.9	-56.1	-41.9	0	0	0	114.2	P663 Y673 N676 L678 P679 A712 L718	P663-W716 HydrophobicContact CB-CH2 3.76Å; P663-W716 HydrophobicContact CB-CZ2 4.5Å; P663-W716 HydrophobicContact CG-CH2 3.59Å; P663-W716 HydrophobicContact CG-CZ3 4.12Å; Y673-W716 AromaticContact CD1-CE2 3.97Å; Y673-W716 HydrophobicContact CD1-CH2 4.37Å; Y673-W716 AromaticContact CD1-CZ2 3.64Å; Y673-W716 HydrophobicContact CD1-CZ2 3.64Å; Y673-W716 HydrophobicContact CE1-CD2 4.29Å; Y673-W716 AromaticContact CE1-CE2 3.67Å; Y673-W716 AromaticContact CE1-CH2 3.69Å; Y673-W716 HydrophobicContact CE1-CH2 3.69Å; Y673-W716 AromaticContact CE1-CZ2 3.34Å; Y673-W716 HydrophobicContact CE1-CZ2 3.34Å; Y673-W716 HydrophobicContact CE1-CZ3 4.26Å; Y673-W716 AromaticContact CZ-CH2 3.96Å; N676-W716 HydrophobicContact CB-CH2 4.31Å; N676-W716 HydrophobicContact CB-CZ2 3.89Å; L678-W716 HydrophobicContact CB-CH2 3.95Å; L678-W716 HydrophobicContact CB-CZ3 4.02Å; L678-W716 HydrophobicContact CD1-CH2 4.24Å; L678-W716 HydrophobicContact CD1-CZ3 3.93Å; L678-W716 HydrophobicContact CD2-CE3 4.11Å; L678-W716 HydrophobicContact CD2-CH2 4.49Å; L678-W716 HydrophobicContact CD2-CZ3 3.69Å; L678-W716 HydrophobicContact CG-CH2 4.44Å; L678-W716 HydrophobicContact CG-CZ3 4.08Å; P679-W716 HydrophobicContact CB-CB 4.27Å; P679-W716 HydrophobicContact CB-CD2 4.25Å; P679-W716 HydrophobicContact CB-CG 4.11Å; P679-W716 HydrophobicContact CG-CD2 3.87Å; P679-W716 HydrophobicContact CG-CE3 4.44Å; P679-W716 HydrophobicContact CG-CG 3.91Å; A712-W716 HydrophobicContact CB-CE3 3.74Å; A712-W716 HydrophobicContact CB-CZ3 3.66Å; A712-W716 WeakPolarHBondContact O-CB 3.36Å; A712-W716 PolarHBondContact O-N 2.99Å; W716-L718 VanDerWaalsContact C-N 3.3Å; W716-L718 HydrophobicContact CB-CD2 4.12Å; W716-L718 HydrophobicContact CB-CG 4.23Å; W716-L718 HydrophobicContact CE3-CD1 4.39Å; W716-L718 PolarHBondContact O-N 3.02Å
717	K	96.2	Very high	97.5	Very high	187 Å²	187	35.4 Å²	35.4	81%	0.813	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	40	179.3	-54.9	-176.1	179.3	-175.1	0	112.9	A713 S719	A713-K717 CarbonylContact O-C 3.55Å; A713-K717 WeakPolarHBondContact O-CA 3.49Å; A713-K717 PolarHBondContact O-N 3.21Å; K717-S719 PolarHBondContact O-N 3.17Å
718	L	96.9	Very high	97.5	Very high	24 Å²	24	36.2 Å²	36.2	13%	0.126	19%	0.187	C	C	.	.			trans	-65.7	132.1	178.6	-54.9	-179.2	0	0	0	110.4	L682 A712 A713 W716 D722 M723 L726	L682-L718 HydrophobicContact CD2-CD2 4.38Å; A712-L718 HydrophobicContact CB-CD1 4.06Å; A713-L718 HydrophobicContact CB-CB 4.46Å; A713-L718 PolarHBondContact O-N 3.31Å; A713-L718 VanDerWaalsContact O-N 3.17Å; W716-L718 VanDerWaalsContact C-N 3.3Å; W716-L718 HydrophobicContact CB-CD2 4.12Å; W716-L718 HydrophobicContact CB-CG 4.23Å; W716-L718 HydrophobicContact CE3-CD1 4.39Å; W716-L718 PolarHBondContact O-N 3.02Å; L718-D722 HydrophobicContact CB-CB 4.07Å; L718-D722 HydrophobicContact CD2-CB 4.45Å; L718-M723 HydrophobicContact CB-CG 4.33Å; L718-L726 HydrophobicContact CD1-CD1 3.94Å
719	S	96.6	Very high	97.5	Very high	29 Å²	29	36.5 Å²	36.5	20%	0.203	19%	0.189	C	C	.	.			trans	-73.6	166.4	176.2	72.1	0	0	0	0	111.9	K717 C721 D722 M723	K717-S719 PolarHBondContact O-N 3.17Å; S719-C721 PolarHBondContact O-N 3.18Å; S719-C721 PolarHBondContact OG-N 3.17Å; S719-D722 VanDerWaalsContact CB-OD2 3.29Å; S719-D722 WeakPolarHBondContact CB-OD2 3.23Å; S719-D722 PolarHBondContact N-OD2 3.3Å; S719-D722 PolarHBondContact O-N 3.29Å; S719-D722 VanDerWaalsContact O-N 3.14Å; S719-D722 PolarHBondContact OG-N 3.15Å; S719-D722 PolarHBondContact OG-OD1 2.9Å; S719-D722 PolarHBondContact OG-OD2 2.7Å; S719-M723 WeakPolarHBondContact O-CB 3.27Å; S719-M723 WeakPolarHBondContact O-CG 3.41Å; S719-M723 PolarHBondContact O-N 3.38Å
720	S	95.8	Very high	97.6	Very high	53 Å²	53	36.5 Å²	36.5	37%	0.371	19%	0.189	S	C	.	.	H	α-helix	trans	-61.3	-24.1	171.3	-167.9	0	0	0	0	112.7	Q330 C724	Q330-S720 PolarHBondContact NE2-O 2.74Å; S720-C724 WeakPolarHBondContact O-CB 3.44Å; S720-C724 PolarHBondContact O-N 2.91Å; S720-C724 PolarHBondContact O-SG 2.85Å
721	C	97.5	Very high	97.6	Very high	3 Å²	3	34 Å²	34	2%	0.02	17%	0.171	C	C	.	.	H	α-helix	trans	-70.4	-47.5	172.7	-175.7	0	0	0	0	111.1	S719 M723 C724 E725 P765 R768	S719-C721 PolarHBondContact O-N 3.18Å; S719-C721 PolarHBondContact OG-N 3.17Å; C721-M723 VanDerWaalsContact C-N 3.34Å; C721-M723 PolarHBondContact O-N 3.34Å; C721-C724 PolarHBondContact O-N 2.89Å; C721-E725 WeakPolarHBondContact O-CB 3.27Å; C721-E725 PolarHBondContact O-N 3.16Å; C721-P765 WeakPolarHBondContact SG-CD 3.16Å; C721-R768 PolarHBondContact SG-NH2 3.41Å; C721-R768 VanDerWaalsContact SG-NH2 3.41Å
722	D	98.2	Very high	97.5	Very high	14 Å²	14	34.3 Å²	34.3	8%	0.075	17%	0.172	C	C	.	.	H	α-helix	trans	-62.6	-42.3	179.5	-51	-37.7	0	0	0	111.3	Y315 L682 L718 S719 C724 E725 L726 R768	Y315-D722 PolarHBondContact OH-OD1 3.1Å; L682-D722 HydrophobicContact CD2-CB 4.23Å; L718-D722 HydrophobicContact CB-CB 4.07Å; L718-D722 HydrophobicContact CD2-CB 4.45Å; S719-D722 VanDerWaalsContact CB-OD2 3.29Å; S719-D722 WeakPolarHBondContact CB-OD2 3.23Å; S719-D722 PolarHBondContact N-OD2 3.3Å; S719-D722 PolarHBondContact O-N 3.29Å; S719-D722 VanDerWaalsContact O-N 3.14Å; S719-D722 PolarHBondContact OG-N 3.15Å; S719-D722 PolarHBondContact OG-OD1 2.9Å; S719-D722 PolarHBondContact OG-OD2 2.7Å; D722-C724 VanDerWaalsContact C-N 3.32Å; D722-C724 PolarHBondContact O-N 3.34Å; D722-E725 PolarHBondContact O-N 2.67Å; D722-L726 WeakPolarHBondContact O-CG 3.38Å; D722-L726 PolarHBondContact O-N 3.42Å; D722-R768 IonicContact OD1-CZ 3.45Å; D722-R768 VanDerWaalsContact OD1-CZ 3.31Å; D722-R768 IonicContact OD1-NH1 3.33Å; D722-R768 PolarHBondContact OD1-NH1 3.38Å; D722-R768 IonicContact OD1-NH2 2.7Å; D722-R768 PolarHBondContact OD1-NH2 3.37Å
723	M	98.1	Very high	97.4	Very high	17 Å²	17	34.7 Å²	34.7	8%	0.084	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-38.8	175.3	-69.3	-86.1	-87.6	0	0	112.4	F338 Y709 A713 L718 S719 C721 A727	F338-M723 HydrophobicContact CD1-CE 3.8Å; F338-M723 HydrophobicContact CD2-CB 3.69Å; F338-M723 HydrophobicContact CD2-CE 4.41Å; F338-M723 HydrophobicContact CE1-CE 3.45Å; F338-M723 VanDerWaalsContact CE1-CE 3.45Å; F338-M723 HydrophobicContact CE2-CB 3.96Å; F338-M723 HydrophobicContact CE2-CE 4.11Å; F338-M723 HydrophobicContact CE2-SD 4.44Å; F338-M723 HydrophobicContact CG-CB 4.19Å; F338-M723 HydrophobicContact CG-CE 4.26Å; F338-M723 HydrophobicContact CZ-CE 3.62Å; F338-M723 HydrophobicContact CZ-SD 4.33Å; Y709-M723 HydrophobicContact CD1-CE 4.4Å; Y709-M723 HydrophobicContact CD1-SD 3.75Å; Y709-M723 HydrophobicContact CG-SD 4.45Å; Y709-M723 WeakPolarHBondContact O-CE 3.4Å; Y709-M723 VanDerWaalsContact O-SD 3.41Å; A713-M723 HydrophobicContact CB-CE 3.79Å; A713-M723 HydrophobicContact CB-CG 4.49Å; A713-M723 HydrophobicContact CB-SD 3.76Å; L718-M723 HydrophobicContact CB-CG 4.33Å; S719-M723 WeakPolarHBondContact O-CB 3.27Å; S719-M723 WeakPolarHBondContact O-CG 3.41Å; S719-M723 PolarHBondContact O-N 3.38Å; C721-M723 VanDerWaalsContact C-N 3.34Å; C721-M723 PolarHBondContact O-N 3.34Å; M723-A727 WeakPolarHBondContact O-CB 3.49Å; M723-A727 PolarHBondContact O-N 3.06Å; M723-A727 VanDerWaalsContact O-N 3.15Å
724	C	98.2	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-77.1	-30.6	175.7	-65	0	0	0	0	112.4	S720 C721 D722 A727 R728 N763 V764	S720-C724 WeakPolarHBondContact O-CB 3.44Å; S720-C724 PolarHBondContact O-N 2.91Å; S720-C724 PolarHBondContact O-SG 2.85Å; C721-C724 PolarHBondContact O-N 2.89Å; D722-C724 VanDerWaalsContact C-N 3.32Å; D722-C724 PolarHBondContact O-N 3.34Å; C724-A727 PolarHBondContact O-N 3.35Å; C724-R728 WeakPolarHBondContact O-CB 3.22Å; C724-R728 PolarHBondContact O-N 3.39Å; C724-N763 HydrophobicContact CB-CB 4.27Å; C724-V764 HydrophobicContact CB-CG2 4.03Å; C724-V764 WeakPolarHBondContact O-CG2 3.44Å
725	E	98.4	Very high	97.4	Very high	15 Å²	15	27.8 Å²	27.8	7%	0.07	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-48.6	173.5	-177.4	169.3	-142	0	0	110.8	L682 C721 D722 A727 R728 N729 V764 R768 R772	L682-E725 HydrophobicContact CD1-CG 4.44Å; C721-E725 WeakPolarHBondContact O-CB 3.27Å; C721-E725 PolarHBondContact O-N 3.16Å; D722-E725 PolarHBondContact O-N 2.67Å; E725-A727 VanDerWaalsContact C-N 3.33Å; E725-A727 PolarHBondContact O-N 3.35Å; E725-R728 PolarHBondContact O-N 2.8Å; E725-N729 WeakPolarHBondContact O-CB 3.33Å; E725-N729 PolarHBondContact O-N 3.29Å; E725-N729 PolarHBondContact O-OD1 3.19Å; E725-V764 HydrophobicContact CB-CG2 4.48Å; E725-R768 IonicContact OE2-CZ 3.57Å; E725-R768 IonicContact OE2-NH1 3.59Å; E725-R768 PolarHBondContact OE2-NH1 3.17Å; E725-R772 WeakPolarHBondContact OE1-CG 3.38Å; E725-R772 IonicContact OE1-CZ 3.66Å; E725-R772 IonicContact OE1-NE 3.63Å; E725-R772 PolarHBondContact OE1-NE 3.13Å; E725-R772 IonicContact OE1-NH2 2.67Å; E725-R772 PolarHBondContact OE1-NH2 2.97Å; E725-R772 IonicContact OE2-CZ 3.96Å; E725-R772 IonicContact OE2-NE 3.69Å; E725-R772 IonicContact OE2-NH2 3.39Å; E725-R772 PolarHBondContact OE2-NH2 3.49Å
726	L	98.6	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.4	-42.6	172.6	-71	168.8	0	0	0	112	L682 I688 L690 Y709 L718 D722 N729 S730	L682-L726 HydrophobicContact CD1-CD2 4.02Å; L682-L726 HydrophobicContact CD1-CG 4.33Å; L682-L726 HydrophobicContact CD2-CD1 4.04Å; L682-L726 HydrophobicContact CD2-CD2 4.11Å; L682-L726 HydrophobicContact CD2-CG 4.01Å; I688-L726 HydrophobicContact CB-CD2 4.17Å; I688-L726 HydrophobicContact CG2-CD2 4.32Å; I688-L726 WeakPolarHBondContact O-CD2 3.39Å; L690-L726 HydrophobicContact CD1-CD1 3.95Å; L690-L726 HydrophobicContact CG-CD1 4.34Å; Y709-L726 HydrophobicContact CE1-CB 3.8Å; Y709-L726 PolarHBondContact OH-O 2.78Å; L718-L726 HydrophobicContact CD1-CD1 3.94Å; D722-L726 WeakPolarHBondContact O-CG 3.38Å; D722-L726 PolarHBondContact O-N 3.42Å; L726-N729 PolarHBondContact O-N 3.34Å; L726-S730 PolarHBondContact O-N 3.37Å
727	A	98.4	Very high	97.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-46.7	175.9	0	0	0	0	0	112.2	K343 Y709 M723 C724 E725 N729 S730 V731	K343-A727 HydrophobicContact CB-CB 4.01Å; Y709-A727 WeakPolarHBondContact OH-CA 3.5Å; Y709-A727 PolarHBondContact OH-N 3.35Å; M723-A727 WeakPolarHBondContact O-CB 3.49Å; M723-A727 PolarHBondContact O-N 3.06Å; M723-A727 VanDerWaalsContact O-N 3.15Å; C724-A727 PolarHBondContact O-N 3.35Å; E725-A727 VanDerWaalsContact C-N 3.33Å; E725-A727 PolarHBondContact O-N 3.35Å; A727-N729 VanDerWaalsContact C-N 3.34Å; A727-N729 PolarHBondContact O-N 3.32Å; A727-S730 PolarHBondContact O-N 3.29Å; A727-S730 PolarHBondContact O-OG 2.85Å; A727-V731 PolarHBondContact O-N 3.25Å
728	R	98	Very high	97.1	Very high	36 Å²	36	20.5 Å²	20.5	14%	0.136	12%	0.119	C	C	.	.	H	α-helix	trans	-57.3	-47	174.6	-179.3	-177.7	-177.5	-79.4	-2.7	111	C724 E725 S730 V731 M732 L745 G756 N757 T762 V764	C724-R728 WeakPolarHBondContact O-CB 3.22Å; C724-R728 PolarHBondContact O-N 3.39Å; E725-R728 PolarHBondContact O-N 2.8Å; R728-S730 VanDerWaalsContact C-N 3.34Å; R728-S730 PolarHBondContact O-N 3.47Å; R728-V731 PolarHBondContact O-N 2.89Å; R728-M732 WeakPolarHBondContact O-CG 3.48Å; R728-M732 PolarHBondContact O-N 2.89Å; R728-L745 HydrophobicContact CG-CD2 4.1Å; R728-G756 PolarHBondContact NH2-O 3.48Å; R728-N757 PolarHBondContact NE-OD1 2.91Å; R728-T762 HydrophobicContact CG-CG2 4.16Å; R728-V764 HydrophobicContact CB-CG2 4Å
729	N	98.2	Very high	97	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.032	14%	0.138	C	C	.	.	H	α-helix	trans	-60.2	-43	179	-69.5	-8.1	0	0	0	111.7	I687 I688 E725 L726 A727 V731 M732 M733	I687-N729 HydrophobicContact CG2-CB 4.15Å; I688-N729 WeakPolarHBondContact O-CB 3.41Å; I688-N729 PolarHBondContact O-ND2 3.43Å; E725-N729 WeakPolarHBondContact O-CB 3.33Å; E725-N729 PolarHBondContact O-N 3.29Å; E725-N729 PolarHBondContact O-OD1 3.19Å; L726-N729 PolarHBondContact O-N 3.34Å; A727-N729 VanDerWaalsContact C-N 3.34Å; A727-N729 PolarHBondContact O-N 3.32Å; N729-V731 VanDerWaalsContact C-N 3.28Å; N729-V731 PolarHBondContact O-N 3.32Å; N729-M732 WeakPolarHBondContact O-CB 3.34Å; N729-M732 PolarHBondContact O-N 3.02Å; N729-M732 VanDerWaalsContact O-N 3.1Å; N729-M733 WeakPolarHBondContact O-CB 3.27Å; N729-M733 VanDerWaalsContact O-CG 3.25Å; N729-M733 WeakPolarHBondContact O-CG 3.44Å; N729-M733 PolarHBondContact O-N 2.95Å
730	S	98.7	Very high	96.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.5	-39.7	176.8	77.3	0	0	0	0	113	K343 V344 T346 L726 A727 R728 S734	K343-S730 WeakPolarHBondContact CA-OG 3.45Å; V344-S730 PolarHBondContact N-OG 3.02Å; V344-S730 VanDerWaalsContact O-CB 3.27Å; V344-S730 WeakPolarHBondContact O-CB 3.41Å; T346-S730 WeakPolarHBondContact CG2-O 3.42Å; L726-S730 PolarHBondContact O-N 3.37Å; A727-S730 PolarHBondContact O-N 3.29Å; A727-S730 PolarHBondContact O-OG 2.85Å; R728-S730 VanDerWaalsContact C-N 3.34Å; R728-S730 PolarHBondContact O-N 3.47Å; S730-S734 WeakPolarHBondContact O-CB 3.32Å; S730-S734 PolarHBondContact O-N 3Å; S730-S734 VanDerWaalsContact O-N 3.12Å
731	V	98.3	Very high	96.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-70.7	-41.3	175.1	179.1	0	0	0	0	111.4	R342 V344 A727 R728 N729 M733 S734 K741 W744 L745	R342-V731 HydrophobicContact CB-CG2 3.96Å; R342-V731 WeakPolarHBondContact O-CG2 3.49Å; V344-V731 HydrophobicContact CG2-CB 4.45Å; V344-V731 HydrophobicContact CG2-CG2 3.91Å; A727-V731 PolarHBondContact O-N 3.25Å; R728-V731 PolarHBondContact O-N 2.89Å; N729-V731 VanDerWaalsContact C-N 3.28Å; N729-V731 PolarHBondContact O-N 3.32Å; V731-M733 PolarHBondContact O-N 3.34Å; V731-S734 PolarHBondContact O-N 3.29Å; V731-S734 PolarHBondContact O-OG 2.81Å; V731-K741 HydrophobicContact CG1-CG 4.28Å; V731-K741 WeakPolarHBondContact O-CE 3.21Å; V731-W744 HydrophobicContact CG1-CB 4.28Å; V731-W744 HydrophobicContact CG1-CE3 3.78Å; V731-W744 HydrophobicContact CG2-CE3 4.15Å; V731-L745 HydrophobicContact CB-CD1 4.14Å; V731-L745 HydrophobicContact CB-CD2 3.99Å; V731-L745 HydrophobicContact CB-CG 4.23Å; V731-L745 HydrophobicContact CG1-CD1 3.67Å; V731-L745 HydrophobicContact CG1-CD2 3.94Å; V731-L745 HydrophobicContact CG1-CG 3.66Å; V731-L745 HydrophobicContact CG2-CD2 4.46Å
732	M	96.2	Very high	96.8	Very high	63 Å²	63	23.4 Å²	23.4	31%	0.31	13%	0.134	S	C	.	.	H	α-helix	trans	-57.3	-48.5	175.6	-71.6	-63.9	-68.7	0	0	111.4	R728 N729 S734 K741 L745 Y749	R728-M732 WeakPolarHBondContact O-CG 3.48Å; R728-M732 PolarHBondContact O-N 2.89Å; N729-M732 WeakPolarHBondContact O-CB 3.34Å; N729-M732 PolarHBondContact O-N 3.02Å; N729-M732 VanDerWaalsContact O-N 3.1Å; M732-S734 VanDerWaalsContact C-N 3.33Å; M732-S734 PolarHBondContact O-N 3.38Å; M732-K741 PolarHBondContact O-NZ 3.41Å; M732-L745 HydrophobicContact CG-CD1 3.95Å; M732-L745 HydrophobicContact SD-CD1 3.4Å; M732-L745 WeakPolarHBondContact SD-CD1 3.15Å; M732-Y749 HydrophobicContact CE-CD2 4.26Å; M732-Y749 HydrophobicContact SD-CD2 3.64Å; M732-Y749 HydrophobicContact SD-CE2 4.17Å
733	M	95.8	Very high	96.7	Very high	9 Å²	9	28.5 Å²	28.5	4%	0.044	16%	0.157	C	C	.	.	H	α-helix	trans	-69.7	-24.5	-178.7	-67.7	166.4	54.1	0	0	114.1	T346 R614 N635 A660 I687 S689 N729 V731	T346-M733 HydrophobicContact CG2-CB 4.38Å; R614-M733 PolarHBondContact NH1-O 3.38Å; R614-M733 PolarHBondContact NH2-O 3.24Å; N635-M733 PolarHBondContact ND2-O 3.47Å; A660-M733 HydrophobicContact CB-CE 4.24Å; I687-M733 HydrophobicContact CG2-CG 3.86Å; I687-M733 HydrophobicContact CG2-SD 3.79Å; S689-M733 WeakPolarHBondContact OG-CE 3.26Å; N729-M733 WeakPolarHBondContact O-CB 3.27Å; N729-M733 VanDerWaalsContact O-CG 3.25Å; N729-M733 WeakPolarHBondContact O-CG 3.44Å; N729-M733 PolarHBondContact O-N 2.95Å; V731-M733 PolarHBondContact O-N 3.34Å
734	S	97.7	Very high	96.6	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.028	16%	0.156	C	C	.	.	S	Bend	trans	-65.7	157	-175.1	73.9	0	0	0	0	113.9	E467 S730 V731 M732 F736 K741	E467-S734 WeakPolarHBondContact OE1-CA 3.37Å; E467-S734 WeakPolarHBondContact OE1-CB 3.06Å; S730-S734 WeakPolarHBondContact O-CB 3.32Å; S730-S734 PolarHBondContact O-N 3Å; S730-S734 VanDerWaalsContact O-N 3.12Å; V731-S734 PolarHBondContact O-N 3.29Å; V731-S734 PolarHBondContact O-OG 2.81Å; M732-S734 VanDerWaalsContact C-N 3.33Å; M732-S734 PolarHBondContact O-N 3.38Å; S734-F736 VanDerWaalsContact C-N 3.29Å; S734-F736 PolarHBondContact O-N 2.84Å; S734-K741 WeakPolarHBondContact O-CE 3.49Å; S734-K741 PolarHBondContact O-NZ 2.87Å
735	G	96.1	Very high	96.5	Very high	26 Å²	26	28.7 Å²	28.7	27%	0.268	16%	0.157	S	C	.	.			trans	-86.3	15.2	171.2	0	0	0	0	0	114.3	E467 I551	E467-G735 PolarHBondContact OE1-N 2.66Å; I551-G735 WeakPolarHBondContact CG2-O 3.49Å
736	F	96.9	Very high	96.3	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.026	16%	0.155	C	C	.	.			trans	-63	140.3	175.4	-79.9	-95.6	0	0	0	111.2	V344 N465 E467 N496 R498 S734 I740 K741 W744	V344-F736 HydrophobicContact CG1-CD2 4.36Å; V344-F736 HydrophobicContact CG1-CE2 3.87Å; V344-F736 HydrophobicContact CG2-CD2 4.43Å; V344-F736 HydrophobicContact CG2-CE2 4.42Å; N465-F736 HydrophobicContact CB-CE2 4.24Å; N465-F736 HydrophobicContact CB-CZ 3.93Å; E467-F736 HydrophobicContact CG-CE2 4.34Å; N496-F736 WeakPolarHBondContact O-CZ 3.47Å; R498-F736 HydrophobicContact CB-CE2 4.46Å; R498-F736 HydrophobicContact CB-CZ 4.45Å; R498-F736 HydrophobicContact CG-CD1 4.09Å; R498-F736 HydrophobicContact CG-CD2 4.31Å; R498-F736 HydrophobicContact CG-CE1 3.89Å; R498-F736 HydrophobicContact CG-CE2 4.1Å; R498-F736 HydrophobicContact CG-CG 4.3Å; R498-F736 HydrophobicContact CG-CZ 3.88Å; S734-F736 VanDerWaalsContact C-N 3.29Å; S734-F736 PolarHBondContact O-N 2.84Å; F736-I740 HydrophobicContact CB-CG2 4.39Å; F736-I740 HydrophobicContact CD1-CD1 4.41Å; F736-I740 HydrophobicContact CD1-CG2 4.28Å; F736-K741 VanDerWaalsContact O-CE 3.3Å; F736-K741 WeakPolarHBondContact O-CE 3.47Å; F736-W744 HydrophobicContact CB-CZ3 4.34Å; F736-W744 AromaticContact CD1-CH2 3.64Å; F736-W744 HydrophobicContact CD1-CH2 3.64Å; F736-W744 HydrophobicContact CD1-CZ3 4.12Å; F736-W744 HydrophobicContact CD2-CH2 4.35Å; F736-W744 HydrophobicContact CD2-CZ3 4.16Å; F736-W744 AromaticContact CE1-CH2 3.8Å; F736-W744 HydrophobicContact CE1-CH2 3.8Å; F736-W744 AromaticContact CG-CH2 3.94Å; F736-W744 HydrophobicContact CG-CH2 3.94Å; F736-W744 AromaticContact CG-CZ3 3.93Å; F736-W744 HydrophobicContact CG-CZ3 3.93Å; F736-W744 HydrophobicContact CZ-CH2 4.25Å
737	P	94.4	Very high	96	Very high	63 Å²	63	29.7 Å²	29.7	41%	0.409	17%	0.166	S	C	.	.			trans	-50.7	146.8	179.9	-30.5	34	0	0	0	114.5	A739 I740 K741	P737-A739 VanDerWaalsContact C-N 3.32Å; P737-A739 PolarHBondContact O-N 2.74Å; P737-I740 HydrophobicContact CB-CG1 4.45Å; P737-I740 HydrophobicContact CG-CD1 4.37Å; P737-I740 WeakPolarHBondContact O-CA 3.49Å; P737-I740 WeakPolarHBondContact O-CB 3.25Å; P737-I740 PolarHBondContact O-N 3.06Å; P737-K741 PolarHBondContact O-N 3.45Å; P737-K741 VanDerWaalsContact O-N 3.08Å
738	H	93.1	Very high	95.7	Very high	62 Å²	62	31.2 Å²	31.2	29%	0.287	17%	0.173	S	C	.	.	H	α-helix	trans	-48.1	-48.6	-178.6	177.5	71.5	0	0	0	113.5	I740 K741 Q742 Y749 Y750	H738-I740 VanDerWaalsContact C-N 3.26Å; H738-I740 PolarHBondContact O-N 2.73Å; H738-K741 CarbonylContact O-C 3.55Å; H738-K741 PolarHBondContact O-N 2.84Å; H738-K741 VanDerWaalsContact O-N 3.09Å; H738-Q742 PolarHBondContact NE2-NE2 3.05Å; H738-Q742 WeakPolarHBondContact O-CG 3.49Å; H738-Q742 PolarHBondContact O-N 3.39Å; H738-Y749 AromaticContact CE1-CE1 3.65Å; H738-Y749 AromaticContact ND1-CE1 3.45Å; H738-Y749 WeakPolarHBondContact ND1-CE1 3.37Å; H738-Y749 AromaticContact ND1-CZ 3.58Å; H738-Y749 PolarHBondContact ND1-OH 2.93Å; H738-Y750 AromaticContact CE1-CD1 3.65Å
739	A	94.2	Very high	95.6	Very high	65 Å²	65	30.5 Å²	30.5	54%	0.537	17%	0.171	S	C	.	.	H	α-helix	trans	-59.8	-33.4	179	0	0	0	0	0	113.5	P737 Q743	P737-A739 VanDerWaalsContact C-N 3.32Å; P737-A739 PolarHBondContact O-N 2.74Å; A739-Q743 PolarHBondContact O-N 2.91Å; A739-Q743 VanDerWaalsContact O-N 3.14Å
740	I	94.9	Very high	95.2	Very high	39 Å²	39	35.7 Å²	35.7	20%	0.2	19%	0.191	C	C	.	.	H	α-helix	trans	-71.8	-44.2	175	-62.1	-173.4	0	0	0	109.9	F736 P737 H738 Q742 Q743 W744	F736-I740 HydrophobicContact CB-CG2 4.39Å; F736-I740 HydrophobicContact CD1-CD1 4.41Å; F736-I740 HydrophobicContact CD1-CG2 4.28Å; P737-I740 HydrophobicContact CB-CG1 4.45Å; P737-I740 HydrophobicContact CG-CD1 4.37Å; P737-I740 WeakPolarHBondContact O-CA 3.49Å; P737-I740 WeakPolarHBondContact O-CB 3.25Å; P737-I740 PolarHBondContact O-N 3.06Å; H738-I740 VanDerWaalsContact C-N 3.26Å; H738-I740 PolarHBondContact O-N 2.73Å; I740-Q742 VanDerWaalsContact C-N 3.34Å; I740-Q742 PolarHBondContact O-N 3.45Å; I740-Q743 WeakPolarHBondContact O-CB 3.42Å; I740-Q743 PolarHBondContact O-N 2.83Å; I740-Q743 VanDerWaalsContact O-N 3.15Å; I740-W744 HydrophobicContact CG2-CD2 3.69Å; I740-W744 HydrophobicContact CG2-CE3 4.06Å; I740-W744 HydrophobicContact CG2-CG 4.33Å; I740-W744 HydrophobicContact CG2-CH2 3.68Å; I740-W744 HydrophobicContact CG2-CZ2 3.29Å; I740-W744 HydrophobicContact CG2-CZ3 4.05Å; I740-W744 WeakPolarHBondContact O-CB 3.41Å; I740-W744 VanDerWaalsContact O-CG 3.28Å; I740-W744 PolarHBondContact O-N 3.19Å
741	K	96.1	Very high	94.9	Very high	25 Å²	25	40.3 Å²	40.3	11%	0.109	21%	0.213	C	C	.	.	H	α-helix	trans	-60.7	-40.3	173.7	-67.3	-172	-179.3	-173.8	0	112.3	V731 M732 S734 F736 P737 H738 Q743 W744 L745 Y749	V731-K741 HydrophobicContact CG1-CG 4.28Å; V731-K741 WeakPolarHBondContact O-CE 3.21Å; M732-K741 PolarHBondContact O-NZ 3.41Å; S734-K741 WeakPolarHBondContact O-CE 3.49Å; S734-K741 PolarHBondContact O-NZ 2.87Å; F736-K741 VanDerWaalsContact O-CE 3.3Å; F736-K741 WeakPolarHBondContact O-CE 3.47Å; P737-K741 PolarHBondContact O-N 3.45Å; P737-K741 VanDerWaalsContact O-N 3.08Å; H738-K741 CarbonylContact O-C 3.55Å; H738-K741 PolarHBondContact O-N 2.84Å; H738-K741 VanDerWaalsContact O-N 3.09Å; K741-Q743 VanDerWaalsContact C-N 3.32Å; K741-Q743 PolarHBondContact O-N 2.8Å; K741-W744 PolarHBondContact O-N 3.42Å; K741-W744 VanDerWaalsContact O-N 3.11Å; K741-L745 WeakPolarHBondContact O-CB 3.48Å; K741-L745 PolarHBondContact O-N 3.01Å; K741-Y749 HydrophobicContact CB-CD1 4.17Å; K741-Y749 HydrophobicContact CB-CD2 4.48Å; K741-Y749 HydrophobicContact CB-CE1 3.57Å; K741-Y749 HydrophobicContact CB-CE2 3.97Å; K741-Y749 VanDerWaalsContact CB-CZ 3.48Å; K741-Y749 HydrophobicContact CD-CE2 3.92Å
742	Q	95.2	Very high	94.4	Very high	42 Å²	42	42.8 Å²	42.8	20%	0.196	23%	0.226	C	C	.	.	H	α-helix	trans	-58.8	-42.7	173.3	-71.4	-176.7	-59.5	0	0	111.9	H738 I740 W744 G746 P747 Y749	H738-Q742 PolarHBondContact NE2-NE2 3.05Å; H738-Q742 WeakPolarHBondContact O-CG 3.49Å; H738-Q742 PolarHBondContact O-N 3.39Å; I740-Q742 VanDerWaalsContact C-N 3.34Å; I740-Q742 PolarHBondContact O-N 3.45Å; Q742-W744 VanDerWaalsContact C-N 3.33Å; Q742-W744 PolarHBondContact O-N 2.88Å; Q742-G746 WeakPolarHBondContact CA-O 3.35Å; Q742-G746 CarbonylContact O-C 3.34Å; Q742-G746 WeakPolarHBondContact O-CA 3.41Å; Q742-G746 PolarHBondContact O-N 3.45Å; Q742-P747 PolarHBondContact NE2-O 3.47Å; Q742-Y749 HydrophobicContact CB-CD1 4.42Å; Q742-Y749 HydrophobicContact CG-CD1 3.85Å; Q742-Y749 HydrophobicContact CG-CE1 3.74Å
743	Q	95.3	Very high	94.3	Very high	121 Å²	121	40.1 Å²	40.1	57%	0.565	21%	0.214	S	C	*	.	H	α-helix	trans	-64.8	-36.8	175.5	-165.9	-172	21.1	0	0	112.2	A739 I740 K741 R761	A739-Q743 PolarHBondContact O-N 2.91Å; A739-Q743 VanDerWaalsContact O-N 3.14Å; I740-Q743 WeakPolarHBondContact O-CB 3.42Å; I740-Q743 PolarHBondContact O-N 2.83Å; I740-Q743 VanDerWaalsContact O-N 3.15Å; K741-Q743 VanDerWaalsContact C-N 3.32Å; K741-Q743 PolarHBondContact O-N 2.8Å; Q743-R761 PolarHBondContact O-NH1 3.45Å
744	W	96.7	Very high	94.1	Very high	17 Å²	17	40.2 Å²	40.2	6%	0.064	22%	0.215	C	C	.	.	H	α-helix	trans	-86.2	-29.7	-173.7	-67.9	1.4	0	0	0	114.7	R342 V344 N465 V731 F736 I740 K741 Q742 R761	R342-W744 HydrophobicContact CB-CB 4.02Å; R342-W744 HydrophobicContact CB-CD2 4.16Å; R342-W744 HydrophobicContact CB-CE3 4.27Å; R342-W744 HydrophobicContact CB-CG 4.06Å; R342-W744 HydrophobicContact CG-CB 3.84Å; R342-W744 HydrophobicContact CG-CD2 3.91Å; R342-W744 HydrophobicContact CG-CG 3.58Å; V344-W744 HydrophobicContact CG2-CZ3 4.01Å; N465-W744 HydrophobicContact CB-CH2 4.06Å; N465-W744 HydrophobicContact CB-CZ3 4.47Å; N465-W744 WeakPolarHBondContact OD1-CH2 3.45Å; N465-W744 WeakPolarHBondContact OD1-CZ2 3.35Å; V731-W744 HydrophobicContact CG1-CB 4.28Å; V731-W744 HydrophobicContact CG1-CE3 3.78Å; V731-W744 HydrophobicContact CG2-CE3 4.15Å; F736-W744 HydrophobicContact CB-CZ3 4.34Å; F736-W744 AromaticContact CD1-CH2 3.64Å; F736-W744 HydrophobicContact CD1-CH2 3.64Å; F736-W744 HydrophobicContact CD1-CZ3 4.12Å; F736-W744 HydrophobicContact CD2-CH2 4.35Å; F736-W744 HydrophobicContact CD2-CZ3 4.16Å; F736-W744 AromaticContact CE1-CH2 3.8Å; F736-W744 HydrophobicContact CE1-CH2 3.8Å; F736-W744 AromaticContact CG-CH2 3.94Å; F736-W744 HydrophobicContact CG-CH2 3.94Å; F736-W744 AromaticContact CG-CZ3 3.93Å; F736-W744 HydrophobicContact CG-CZ3 3.93Å; F736-W744 HydrophobicContact CZ-CH2 4.25Å; I740-W744 HydrophobicContact CG2-CD2 3.69Å; I740-W744 HydrophobicContact CG2-CE3 4.06Å; I740-W744 HydrophobicContact CG2-CG 4.33Å; I740-W744 HydrophobicContact CG2-CH2 3.68Å; I740-W744 HydrophobicContact CG2-CZ2 3.29Å; I740-W744 HydrophobicContact CG2-CZ3 4.05Å; I740-W744 WeakPolarHBondContact O-CB 3.41Å; I740-W744 VanDerWaalsContact O-CG 3.28Å; I740-W744 PolarHBondContact O-N 3.19Å; K741-W744 PolarHBondContact O-N 3.42Å; K741-W744 VanDerWaalsContact O-N 3.11Å; Q742-W744 VanDerWaalsContact C-N 3.33Å; Q742-W744 PolarHBondContact O-N 2.88Å; W744-R761 WeakPolarHBondContact O-CB 3.47Å
745	L	95.8	Very high	93.8	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-118.3	-24.7	-172.6	-62.9	-176.4	0	0	0	114.6	R728 V731 M732 K741 Y749 D758 T762	R728-L745 HydrophobicContact CG-CD2 4.1Å; V731-L745 HydrophobicContact CB-CD1 4.14Å; V731-L745 HydrophobicContact CB-CD2 3.99Å; V731-L745 HydrophobicContact CB-CG 4.23Å; V731-L745 HydrophobicContact CG1-CD1 3.67Å; V731-L745 HydrophobicContact CG1-CD2 3.94Å; V731-L745 HydrophobicContact CG1-CG 3.66Å; V731-L745 HydrophobicContact CG2-CD2 4.46Å; M732-L745 HydrophobicContact CG-CD1 3.95Å; M732-L745 HydrophobicContact SD-CD1 3.4Å; M732-L745 WeakPolarHBondContact SD-CD1 3.15Å; K741-L745 WeakPolarHBondContact O-CB 3.48Å; K741-L745 PolarHBondContact O-N 3.01Å; L745-Y749 HydrophobicContact CB-CG 4.11Å; L745-Y749 HydrophobicContact CD1-CD2 3.91Å; L745-Y749 HydrophobicContact CD1-CG 4.22Å; L745-D758 WeakPolarHBondContact O-CB 3.39Å; L745-D758 PolarHBondContact O-N 3.49Å; L745-T762 HydrophobicContact CB-CG2 4.47Å; L745-T762 HydrophobicContact CD2-CG2 3.89Å
746	G	93.7	Very high	93.6	Very high	3 Å²	3	42 Å²	42	3%	0.031	22%	0.217	C	C	.	.			trans	132.5	155.7	-176.2	0	0	0	0	0	112	Q742 I748 Y749	Q742-G746 WeakPolarHBondContact CA-O 3.35Å; Q742-G746 CarbonylContact O-C 3.34Å; Q742-G746 WeakPolarHBondContact O-CA 3.41Å; Q742-G746 PolarHBondContact O-N 3.45Å; G746-I748 PolarHBondContact O-N 3.22Å; G746-Y749 WeakPolarHBondContact O-CB 3.17Å; G746-Y749 PolarHBondContact O-N 3.16Å
747	P	92.6	Very high	93.5	Very high	34 Å²	34	42 Å²	42	22%	0.221	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-33.6	-172.5	24.3	-33.9	0	0	0	113.4	Q742 Y750	Q742-P747 PolarHBondContact NE2-O 3.47Å; P747-Y750 WeakPolarHBondContact O-CE1 3.47Å
748	I	93.1	Very high	93.5	Very high	31 Å²	31	39.6 Å²	39.6	16%	0.159	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	30.1	-177	57	169.1	0	0	0	112.5	G746 Y750 E751 M755	G746-I748 PolarHBondContact O-N 3.22Å; I748-Y750 HydrophobicContact CB-CE1 4.44Å; I748-Y750 HydrophobicContact CG2-CE1 4.5Å; I748-Y750 PolarHBondContact O-N 3.24Å; I748-E751 HydrophobicContact CB-CG 4.41Å; I748-E751 PolarHBondContact O-N 3.04Å; I748-M755 HydrophobicContact CD1-CB 4.42Å; I748-M755 HydrophobicContact CD1-CE 4.14Å; I748-M755 VanDerWaalsContact CD1-O 3.27Å; I748-M755 WeakPolarHBondContact CD1-O 3.37Å; I748-M755 WeakPolarHBondContact CG1-O 3.23Å
749	Y	94.3	Very high	93.6	Very high	22 Å²	22	37.1 Å²	37.1	9%	0.086	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-16.7	-175.6	81.1	-89.4	0	0	0	115.3	M732 H738 K741 Q742 L745 G746	M732-Y749 HydrophobicContact CE-CD2 4.26Å; M732-Y749 HydrophobicContact SD-CD2 3.64Å; M732-Y749 HydrophobicContact SD-CE2 4.17Å; H738-Y749 AromaticContact CE1-CE1 3.65Å; H738-Y749 AromaticContact ND1-CE1 3.45Å; H738-Y749 WeakPolarHBondContact ND1-CE1 3.37Å; H738-Y749 AromaticContact ND1-CZ 3.58Å; H738-Y749 PolarHBondContact ND1-OH 2.93Å; K741-Y749 HydrophobicContact CB-CD1 4.17Å; K741-Y749 HydrophobicContact CB-CD2 4.48Å; K741-Y749 HydrophobicContact CB-CE1 3.57Å; K741-Y749 HydrophobicContact CB-CE2 3.97Å; K741-Y749 VanDerWaalsContact CB-CZ 3.48Å; K741-Y749 HydrophobicContact CD-CE2 3.92Å; Q742-Y749 HydrophobicContact CB-CD1 4.42Å; Q742-Y749 HydrophobicContact CG-CD1 3.85Å; Q742-Y749 HydrophobicContact CG-CE1 3.74Å; L745-Y749 HydrophobicContact CB-CG 4.11Å; L745-Y749 HydrophobicContact CD1-CD2 3.91Å; L745-Y749 HydrophobicContact CD1-CG 4.22Å; G746-Y749 WeakPolarHBondContact O-CB 3.17Å; G746-Y749 PolarHBondContact O-N 3.16Å
750	Y	90	Very high	93.6	Very high	114 Å²	114	36.3 Å²	36.3	45%	0.447	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.7	-177.9	56.3	-96.4	0	0	0	113.5	H738 P747 I748	H738-Y750 AromaticContact CE1-CD1 3.65Å; P747-Y750 WeakPolarHBondContact O-CE1 3.47Å; I748-Y750 HydrophobicContact CB-CE1 4.44Å; I748-Y750 HydrophobicContact CG2-CE1 4.5Å; I748-Y750 PolarHBondContact O-N 3.24Å
751	E	91.9	Very high	93.7	Very high	98 Å²	98	38.5 Å²	38.5	46%	0.458	18%	0.184	S	C	.	.	S	Bend	trans	-74.5	153.4	169	-67.7	-60.1	153.3	0	0	111	I748 M755 G756	I748-E751 HydrophobicContact CB-CG 4.41Å; I748-E751 PolarHBondContact O-N 3.04Å; E751-M755 HydrophobicContact CB-CB 4.32Å; E751-G756 VanDerWaalsContact O-CA 3.28Å; E751-G756 WeakPolarHBondContact O-CA 3.21Å
752	D	89.4	Confident	93.7	Very high	52 Å²	52	37.5 Å²	37.5	28%	0.278	18%	0.18	S	C	.	.	S	Bend	trans	-81.5	165.5	172.7	-68.9	-49.2	0	0	0	111.4	S204 T205 Y773	S204-D752 WeakPolarHBondContact CB-OD2 3.49Å; S204-D752 VanDerWaalsContact OG-CG 3.28Å; S204-D752 PolarHBondContact OG-OD1 3.45Å; S204-D752 PolarHBondContact OG-OD2 3.27Å; T205-D752 VanDerWaalsContact CB-OD2 3.26Å; T205-D752 WeakPolarHBondContact CB-OD2 3.35Å; T205-D752 PolarHBondContact N-OD2 2.86Å; T205-D752 VanDerWaalsContact OG1-CG 3.3Å; T205-D752 PolarHBondContact OG1-OD2 3.23Å; D752-Y773 HydrophobicContact CB-CD2 4.25Å; D752-Y773 HydrophobicContact CB-CE2 3.56Å
753	G	92.3	Very high	93.8	Very high	7 Å²	7	35.7 Å²	35.7	7%	0.072	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	69	-161	177.1	0	0	0	0	0	114.7	M755 G756 V769 Y773	G753-M755 PolarHBondContact O-N 3.22Å; G753-G756 PolarHBondContact O-N 2.95Å; G753-V769 VanDerWaalsContact O-CG1 3.27Å; G753-V769 WeakPolarHBondContact O-CG1 3.28Å; G753-Y773 VanDerWaalsContact CA-CG 3.48Å
754	I	93.4	Very high	93.9	Very high	10 Å²	10	30 Å²	30	5%	0.051	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-61.6	-28.1	-178.4	61.3	175.1	0	0	0	113.5	R152 D154 I157 G756 N757 E766 V769 A770	R152-I754 HydrophobicContact CB-CD1 4.25Å; D154-I754 WeakPolarHBondContact OD1-CG1 3.46Å; D154-I754 WeakPolarHBondContact OD1-CG2 3.23Å; D154-I754 PolarHBondContact OD1-N 3.48Å; I157-I754 HydrophobicContact CD1-CD1 3.8Å; I157-I754 HydrophobicContact CG1-CD1 3.8Å; I157-I754 HydrophobicContact CG1-CG2 4.19Å; I754-G756 PolarHBondContact O-N 3.49Å; I754-N757 PolarHBondContact O-N 2.93Å; I754-E766 HydrophobicContact CG2-CB 4.15Å; I754-E766 WeakPolarHBondContact CG2-O 3.4Å; I754-V769 HydrophobicContact CG2-CB 4.38Å; I754-V769 HydrophobicContact CG2-CG1 4.43Å; I754-A770 HydrophobicContact CG2-CB 3.92Å
755	M	89.6	Confident	93.9	Very high	66 Å²	66	29.2 Å²	29.2	33%	0.325	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-61.9	-35	-179.3	-66.4	-59.9	-73.1	0	0	111.5	I748 E751 G753 N757	I748-M755 HydrophobicContact CD1-CB 4.42Å; I748-M755 HydrophobicContact CD1-CE 4.14Å; I748-M755 VanDerWaalsContact CD1-O 3.27Å; I748-M755 WeakPolarHBondContact CD1-O 3.37Å; I748-M755 WeakPolarHBondContact CG1-O 3.23Å; E751-M755 HydrophobicContact CB-CB 4.32Å; G753-M755 PolarHBondContact O-N 3.22Å; M755-N757 PolarHBondContact O-N 2.92Å
756	G	92	Very high	93.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.01	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-74.9	12.1	173.8	0	0	0	0	0	116.1	R728 E751 G753 I754	R728-G756 PolarHBondContact NH2-O 3.48Å; E751-G756 VanDerWaalsContact O-CA 3.28Å; E751-G756 WeakPolarHBondContact O-CA 3.21Å; G753-G756 PolarHBondContact O-N 2.95Å; I754-G756 PolarHBondContact O-N 3.49Å
757	N	94.8	Very high	94.1	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.043	15%	0.152	C	C	.	.			trans	-136.9	108.1	-174.9	-177.8	74.1	0	0	0	114.1	R728 I754 M755 I759 T762 V764 V769	R728-N757 PolarHBondContact NE-OD1 2.91Å; I754-N757 PolarHBondContact O-N 2.93Å; M755-N757 PolarHBondContact O-N 2.92Å; N757-I759 PolarHBondContact O-N 3.32Å; N757-T762 WeakPolarHBondContact OD1-CB 3.35Å; N757-T762 WeakPolarHBondContact OD1-CG2 3.5Å; N757-T762 PolarHBondContact OD1-OG1 2.91Å; N757-V764 PolarHBondContact ND2-O 3.03Å; N757-V769 HydrophobicContact CB-CG1 4.29Å; N757-V769 HydrophobicContact CB-CG2 3.95Å
758	D	95.1	Very high	94.3	Very high	11 Å²	11	30 Å²	30	6%	0.059	14%	0.142	C	C	.	.			trans	-88.5	98.7	167.1	-177.8	-6.9	0	0	0	109.9	L745 T760 R761 T762	L745-D758 WeakPolarHBondContact O-CB 3.39Å; L745-D758 PolarHBondContact O-N 3.49Å; D758-T760 PolarHBondContact O-N 3.28Å; D758-T760 VanDerWaalsContact O-N 3.08Å; D758-T760 VanDerWaalsContact OD1-CB 3.3Å; D758-T760 WeakPolarHBondContact OD1-CB 3.19Å; D758-T760 PolarHBondContact OD1-N 3.18Å; D758-T760 PolarHBondContact OD1-OG1 3.06Å; D758-T760 PolarHBondContact OD2-OG1 3.41Å; D758-R761 HydrophobicContact CB-CB 4.45Å; D758-R761 HydrophobicContact CB-CG 4.32Å; D758-R761 PolarHBondContact O-N 2.84Å; D758-R761 VanDerWaalsContact OD2-CD 3.29Å; D758-R761 WeakPolarHBondContact OD2-CD 3.42Å; D758-R761 WeakPolarHBondContact OD2-CG 3.45Å; D758-R761 IonicContact OD2-CZ 2.69Å; D758-R761 IonicContact OD2-NE 3.31Å; D758-R761 PolarHBondContact OD2-NE 3.44Å; D758-T762 PolarHBondContact O-N 3.37Å; D758-T762 PolarHBondContact O-OG1 3.46Å
759	I	95.3	Very high	94.5	Very high	11 Å²	11	29.2 Å²	29.2	6%	0.056	14%	0.139	C	C	.	.	H	α-helix	trans	-55.6	-26.6	178.2	-164.8	-177	0	0	0	112.5	P124 A329 V333 N757 R761 N763 V764	P124-I759 HydrophobicContact CB-CG2 4.46Å; A329-I759 HydrophobicContact CB-CD1 4.4Å; V333-I759 HydrophobicContact CG2-CB 4.48Å; V333-I759 HydrophobicContact CG2-CD1 3.82Å; V333-I759 HydrophobicContact CG2-CG1 3.92Å; V333-I759 HydrophobicContact CG2-CG2 3.94Å; N757-I759 PolarHBondContact O-N 3.32Å; I759-R761 PolarHBondContact O-N 2.95Å; I759-R761 VanDerWaalsContact O-N 3.14Å; I759-N763 VanDerWaalsContact O-CA 3.31Å; I759-N763 WeakPolarHBondContact O-CA 3.4Å; I759-N763 PolarHBondContact O-N 3.1Å; I759-V764 WeakPolarHBondContact CG1-O 3.39Å
760	T	94.9	Very high	94.6	Very high	47 Å²	47	28.2 Å²	28.2	29%	0.288	14%	0.135	S	C	.	.	H	α-helix	trans	-70.3	-8.7	177.2	79.7	0	0	0	0	113.3	R336 D758	R336-T760 VanDerWaalsContact CZ-O 3.31Å; R336-T760 PolarHBondContact NE-O 2.82Å; R336-T760 PolarHBondContact NH2-O 3.18Å; D758-T760 PolarHBondContact O-N 3.28Å; D758-T760 VanDerWaalsContact O-N 3.08Å; D758-T760 VanDerWaalsContact OD1-CB 3.3Å; D758-T760 WeakPolarHBondContact OD1-CB 3.19Å; D758-T760 PolarHBondContact OD1-N 3.18Å; D758-T760 PolarHBondContact OD1-OG1 3.06Å; D758-T760 PolarHBondContact OD2-OG1 3.41Å
761	R	95.5	Very high	94.9	Very high	86 Å²	86	23.4 Å²	23.4	33%	0.325	12%	0.116	S	C	.	.	H	α-helix	trans	-116.9	-47	176.3	-60.7	177.9	-167.4	-96.2	-7.2	112.6	R336 Q743 W744 D758 I759	R336-R761 WeakPolarHBondContact CD-O 3.3Å; Q743-R761 PolarHBondContact O-NH1 3.45Å; W744-R761 WeakPolarHBondContact O-CB 3.47Å; D758-R761 HydrophobicContact CB-CB 4.45Å; D758-R761 HydrophobicContact CB-CG 4.32Å; D758-R761 PolarHBondContact O-N 2.84Å; D758-R761 VanDerWaalsContact OD2-CD 3.29Å; D758-R761 WeakPolarHBondContact OD2-CD 3.42Å; D758-R761 WeakPolarHBondContact OD2-CG 3.45Å; D758-R761 IonicContact OD2-CZ 2.69Å; D758-R761 IonicContact OD2-NE 3.31Å; D758-R761 PolarHBondContact OD2-NE 3.44Å; I759-R761 PolarHBondContact O-N 2.95Å; I759-R761 VanDerWaalsContact O-N 3.14Å
762	T	96.7	Very high	95.2	Very high	4 Å²	4	20.4 Å²	20.4	3%	0.025	10%	0.1	C	C	.	.	H	α-helix	trans	-83.9	-24.4	-175.4	68.3	0	0	0	0	113.3	T341 R728 L745 N757 D758 V764	T341-T762 WeakPolarHBondContact CG2-O 3.4Å; R728-T762 HydrophobicContact CG-CG2 4.16Å; L745-T762 HydrophobicContact CB-CG2 4.47Å; L745-T762 HydrophobicContact CD2-CG2 3.89Å; N757-T762 WeakPolarHBondContact OD1-CB 3.35Å; N757-T762 WeakPolarHBondContact OD1-CG2 3.5Å; N757-T762 PolarHBondContact OD1-OG1 2.91Å; D758-T762 PolarHBondContact O-N 3.37Å; D758-T762 PolarHBondContact O-OG1 3.46Å; T762-V764 PolarHBondContact O-N 3.47Å; T762-V764 VanDerWaalsContact O-N 3.1Å; T762-V764 PolarHBondContact OG1-N 2.99Å; T762-V764 VanDerWaalsContact OG1-N 3.15Å
763	N	97.3	Very high	95.5	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.016	9%	0.093	C	C	.	.			trans	52.2	18.7	-166.7	-155.7	35.7	0	0	0	114.9	Q330 R336 T341 C724 I759 P765	Q330-N763 PolarHBondContact NE2-ND2 3.29Å; Q330-N763 PolarHBondContact NE2-O 3.37Å; R336-N763 HydrophobicContact CG-CB 3.73Å; T341-N763 HydrophobicContact CG2-CB 3.56Å; C724-N763 HydrophobicContact CB-CB 4.27Å; I759-N763 VanDerWaalsContact O-CA 3.31Å; I759-N763 WeakPolarHBondContact O-CA 3.4Å; I759-N763 PolarHBondContact O-N 3.1Å; N763-P765 WeakPolarHBondContact O-CD 3.25Å
764	V	97.6	Very high	95.7	Very high	2 Å²	2	21 Å²	21	1%	0.012	10%	0.098	C	C	.	.			trans	-91.4	116.7	173.1	-175.5	0	0	0	0	107.5	C724 E725 R728 N757 I759 T762 R768 V769	C724-V764 HydrophobicContact CB-CG2 4.03Å; C724-V764 WeakPolarHBondContact O-CG2 3.44Å; E725-V764 HydrophobicContact CB-CG2 4.48Å; R728-V764 HydrophobicContact CB-CG2 4Å; N757-V764 PolarHBondContact ND2-O 3.03Å; I759-V764 WeakPolarHBondContact CG1-O 3.39Å; T762-V764 PolarHBondContact O-N 3.47Å; T762-V764 VanDerWaalsContact O-N 3.1Å; T762-V764 PolarHBondContact OG1-N 2.99Å; T762-V764 VanDerWaalsContact OG1-N 3.15Å; V764-R768 HydrophobicContact CG1-CB 3.97Å; V764-R768 HydrophobicContact CG1-CG 3.93Å; V764-V769 HydrophobicContact CB-CG2 4.47Å; V764-V769 HydrophobicContact CG1-CG2 3.78Å
765	P	96.8	Very high	95.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.			trans	-54.1	140	178.4	-29.8	39	0	0	0	113.1	E326 A329 Q330 C721 N763 I767 R768 V769	E326-P765 HydrophobicContact CB-CB 4.36Å; E326-P765 HydrophobicContact CB-CG 4Å; E326-P765 HydrophobicContact CG-CB 4.34Å; E326-P765 HydrophobicContact CG-CG 4.42Å; E326-P765 WeakPolarHBondContact O-CG 3.31Å; A329-P765 HydrophobicContact CB-CB 4.1Å; A329-P765 HydrophobicContact CB-CG 4.36Å; Q330-P765 HydrophobicContact CG-CG 3.67Å; C721-P765 WeakPolarHBondContact SG-CD 3.16Å; N763-P765 WeakPolarHBondContact O-CD 3.25Å; P765-I767 HydrophobicContact CB-CB 4.32Å; P765-I767 PolarHBondContact O-N 2.88Å; P765-I767 VanDerWaalsContact O-N 3.1Å; P765-R768 WeakPolarHBondContact O-CB 3.19Å; P765-R768 PolarHBondContact O-N 2.95Å; P765-V769 PolarHBondContact O-N 3.44Å
766	E	96	Very high	96.1	Very high	46 Å²	46	18.1 Å²	18.1	22%	0.215	9%	0.085	C	C	.	.	H	α-helix	trans	-51.9	-33.6	170.9	-64.1	172.5	171.4	0	0	111.1	R152 I157 I754 R768 V769 A770	R152-E766 IonicContact NH1-OE1 2.74Å; R152-E766 PolarHBondContact NH1-OE1 3.48Å; R152-E766 IonicContact NH1-OE2 2.62Å; R152-E766 PolarHBondContact NH1-OE2 3.42Å; I157-E766 HydrophobicContact CD1-CB 4.04Å; I157-E766 WeakPolarHBondContact CD1-OE2 3.04Å; I157-E766 HydrophobicContact CG1-CB 4.42Å; I157-E766 HydrophobicContact CG2-CB 4.46Å; I754-E766 HydrophobicContact CG2-CB 4.15Å; I754-E766 WeakPolarHBondContact CG2-O 3.4Å; E766-R768 PolarHBondContact O-N 3.49Å; E766-V769 PolarHBondContact O-N 2.97Å; E766-A770 VanDerWaalsContact O-CB 3.27Å; E766-A770 WeakPolarHBondContact O-CB 3.47Å; E766-A770 PolarHBondContact O-N 3.22Å
767	I	97	Very high	96.3	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.041	10%	0.095	C	C	.	.	H	α-helix	trans	-56.8	-45.6	173.1	-63.1	177.8	0	0	0	112.6	I157 F159 N322 R325 E326 P765 Y771	I157-I767 HydrophobicContact CG2-CG1 3.83Å; F159-I767 HydrophobicContact CB-CB 4.33Å; F159-I767 HydrophobicContact CB-CD1 4.25Å; F159-I767 HydrophobicContact CB-CG1 4.05Å; F159-I767 HydrophobicContact CB-CG2 3.58Å; F159-I767 HydrophobicContact CD1-CG2 4.4Å; F159-I767 HydrophobicContact CD2-CG2 4.2Å; F159-I767 HydrophobicContact CG-CG2 3.84Å; N322-I767 HydrophobicContact CB-CG2 4.22Å; R325-I767 HydrophobicContact CB-CD1 3.59Å; E326-I767 HydrophobicContact CG-CB 4.09Å; E326-I767 HydrophobicContact CG-CG2 3.73Å; P765-I767 HydrophobicContact CB-CB 4.32Å; P765-I767 PolarHBondContact O-N 2.88Å; P765-I767 VanDerWaalsContact O-N 3.1Å; I767-Y771 WeakPolarHBondContact O-CB 3.27Å; I767-Y771 PolarHBondContact O-N 3.18Å
768	R	97.5	Very high	96.2	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-66.7	-46.4	179.4	178	61	63.8	94.2	-2.2	110.1	Y315 E326 C721 D722 E725 V764 P765 E766 Y771 R772	Y315-R768 VanDerWaalsContact OH-CZ 3.3Å; Y315-R768 PolarHBondContact OH-NH1 3.08Å; Y315-R768 VanDerWaalsContact OH-NH1 3.09Å; Y315-R768 PolarHBondContact OH-NH2 2.89Å; E326-R768 WeakPolarHBondContact OE1-CA 3.5Å; E326-R768 WeakPolarHBondContact OE1-CB 3.21Å; E326-R768 IonicContact OE1-CZ 2.68Å; E326-R768 IonicContact OE1-NE 3.82Å; E326-R768 PolarHBondContact OE1-NE 3.3Å; E326-R768 IonicContact OE1-NH2 2.98Å; E326-R768 IonicContact OE2-CZ 3.73Å; E326-R768 IonicContact OE2-NE 2.75Å; E326-R768 IonicContact OE2-NH2 3.61Å; E326-R768 PolarHBondContact OE2-NH2 2.69Å; C721-R768 PolarHBondContact SG-NH2 3.41Å; C721-R768 VanDerWaalsContact SG-NH2 3.41Å; D722-R768 IonicContact OD1-CZ 3.45Å; D722-R768 VanDerWaalsContact OD1-CZ 3.31Å; D722-R768 IonicContact OD1-NH1 3.33Å; D722-R768 PolarHBondContact OD1-NH1 3.38Å; D722-R768 IonicContact OD1-NH2 2.7Å; D722-R768 PolarHBondContact OD1-NH2 3.37Å; E725-R768 IonicContact OE2-CZ 3.57Å; E725-R768 IonicContact OE2-NH1 3.59Å; E725-R768 PolarHBondContact OE2-NH1 3.17Å; V764-R768 HydrophobicContact CG1-CB 3.97Å; V764-R768 HydrophobicContact CG1-CG 3.93Å; P765-R768 WeakPolarHBondContact O-CB 3.19Å; P765-R768 PolarHBondContact O-N 2.95Å; E766-R768 PolarHBondContact O-N 3.49Å; R768-Y771 PolarHBondContact O-N 3.47Å; R768-R772 VanDerWaalsContact O-CG 3.32Å; R768-R772 WeakPolarHBondContact O-CG 3.38Å; R768-R772 PolarHBondContact O-N 3.29Å
769	V	96.9	Very high	96.1	Very high	16 Å²	16	23.3 Å²	23.3	10%	0.097	11%	0.112	C	C	.	.	H	α-helix	trans	-64.3	-46.7	-178.3	-177.5	0	0	0	0	111.2	G753 I754 N757 V764 P765 E766 Y771 R772 Y773	G753-V769 VanDerWaalsContact O-CG1 3.27Å; G753-V769 WeakPolarHBondContact O-CG1 3.28Å; I754-V769 HydrophobicContact CG2-CB 4.38Å; I754-V769 HydrophobicContact CG2-CG1 4.43Å; N757-V769 HydrophobicContact CB-CG1 4.29Å; N757-V769 HydrophobicContact CB-CG2 3.95Å; V764-V769 HydrophobicContact CB-CG2 4.47Å; V764-V769 HydrophobicContact CG1-CG2 3.78Å; P765-V769 PolarHBondContact O-N 3.44Å; E766-V769 PolarHBondContact O-N 2.97Å; V769-Y771 PolarHBondContact O-N 3.32Å; V769-R772 PolarHBondContact O-N 3.34Å; V769-Y773 WeakPolarHBondContact O-CB 3.33Å; V769-Y773 PolarHBondContact O-N 3.01Å
770	A	96.6	Very high	96.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.7	-47.5	174.6	0	0	0	0	0	111.3	F159 I754 E766 R772 Y773 E774	F159-A770 HydrophobicContact CE1-CB 3.69Å; F159-A770 HydrophobicContact CZ-CB 4.25Å; I754-A770 HydrophobicContact CG2-CB 3.92Å; E766-A770 VanDerWaalsContact O-CB 3.27Å; E766-A770 WeakPolarHBondContact O-CB 3.47Å; E766-A770 PolarHBondContact O-N 3.22Å; A770-R772 PolarHBondContact O-N 3.08Å; A770-Y773 PolarHBondContact O-N 3.25Å; A770-E774 VanDerWaalsContact O-CB 3.26Å; A770-E774 WeakPolarHBondContact O-CB 3.36Å; A770-E774 VanDerWaalsContact O-CG 3.28Å; A770-E774 WeakPolarHBondContact O-CG 3.18Å; A770-E774 PolarHBondContact O-N 3.14Å
771	Y	97.2	Very high	96	Very high	14 Å²	14	21.7 Å²	21.7	6%	0.055	10%	0.103	C	C	.	.	H	α-helix	trans	-56.4	-46.9	176	167.1	-93.4	0	0	0	112.9	K314 Y315 H318 I767 R768 V769 T775	K314-Y771 VanDerWaalsContact C-OH 3.28Å; K314-Y771 HydrophobicContact CD-CE2 4.13Å; K314-Y771 HydrophobicContact CG-CE2 4.11Å; Y315-Y771 VanDerWaalsContact CA-OH 3.28Å; Y315-Y771 WeakPolarHBondContact CA-OH 3.4Å; Y315-Y771 HydrophobicContact CD2-CD1 4.4Å; Y315-Y771 AromaticContact CD2-CE1 3.72Å; Y315-Y771 HydrophobicContact CD2-CE1 3.72Å; Y315-Y771 PolarHBondContact N-OH 3.02Å; H318-Y771 HydrophobicContact CB-CD2 3.76Å; H318-Y771 HydrophobicContact CB-CE2 3.62Å; H318-Y771 HydrophobicContact CB-CG 4.3Å; H318-Y771 AromaticContact CD2-CG 3.93Å; H318-Y771 AromaticContact CE1-CG 3.73Å; H318-Y771 AromaticContact CG-CD2 3.52Å; H318-Y771 AromaticContact CG-CE2 3.91Å; H318-Y771 AromaticContact CG-CG 3.66Å; H318-Y771 AromaticContact ND1-CD2 3.42Å; H318-Y771 WeakPolarHBondContact ND1-CD2 3.23Å; H318-Y771 AromaticContact ND1-CG 3.58Å; H318-Y771 AromaticContact NE2-CG 3.97Å; I767-Y771 WeakPolarHBondContact O-CB 3.27Å; I767-Y771 PolarHBondContact O-N 3.18Å; R768-Y771 PolarHBondContact O-N 3.47Å; V769-Y771 PolarHBondContact O-N 3.32Å; Y771-T775 WeakPolarHBondContact O-CB 3.4Å; Y771-T775 PolarHBondContact O-N 2.87Å; Y771-T775 VanDerWaalsContact O-N 3.09Å; Y771-T775 PolarHBondContact O-OG1 3.17Å
772	R	97.3	Very high	95.6	Very high	34 Å²	34	19 Å²	19	13%	0.128	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-47.5	178.6	-68.8	-64.6	-171.1	-166.7	3.2	111	L682 A683 E725 R768 V769 A770 T775 L776	L682-R772 VanDerWaalsContact O-CZ 3.22Å; L682-R772 PolarHBondContact O-NH1 3.11Å; L682-R772 PolarHBondContact O-NH2 3.4Å; A683-R772 PolarHBondContact O-NH1 3.02Å; E725-R772 WeakPolarHBondContact OE1-CG 3.38Å; E725-R772 IonicContact OE1-CZ 3.66Å; E725-R772 IonicContact OE1-NE 3.63Å; E725-R772 PolarHBondContact OE1-NE 3.13Å; E725-R772 IonicContact OE1-NH2 2.67Å; E725-R772 PolarHBondContact OE1-NH2 2.97Å; E725-R772 IonicContact OE2-CZ 3.96Å; E725-R772 IonicContact OE2-NE 3.69Å; E725-R772 IonicContact OE2-NH2 3.39Å; E725-R772 PolarHBondContact OE2-NH2 3.49Å; R768-R772 VanDerWaalsContact O-CG 3.32Å; R768-R772 WeakPolarHBondContact O-CG 3.38Å; R768-R772 PolarHBondContact O-N 3.29Å; V769-R772 PolarHBondContact O-N 3.34Å; A770-R772 PolarHBondContact O-N 3.08Å; R772-T775 PolarHBondContact O-N 2.99Å; R772-L776 PolarHBondContact O-N 2.87Å
773	Y	96.4	Very high	95.3	Very high	30 Å²	30	18.8 Å²	18.8	12%	0.118	9%	0.094	C	C	.	.	H	α-helix	trans	-70.9	-48.3	-174.9	-175.3	-127.5	0	0	0	112.5	D154 T205 R208 D752 G753 V769 A770 T775 L776 L777	D154-Y773 WeakPolarHBondContact OD2-CD1 3.43Å; D154-Y773 WeakPolarHBondContact OD2-CE1 3.44Å; T205-Y773 HydrophobicContact CG2-CE2 4.11Å; T205-Y773 WeakPolarHBondContact OG1-CE2 3.22Å; T205-Y773 PolarHBondContact OG1-OH 2.78Å; R208-Y773 PolarHBondContact NH2-OH 3.21Å; D752-Y773 HydrophobicContact CB-CD2 4.25Å; D752-Y773 HydrophobicContact CB-CE2 3.56Å; G753-Y773 VanDerWaalsContact CA-CG 3.48Å; V769-Y773 WeakPolarHBondContact O-CB 3.33Å; V769-Y773 PolarHBondContact O-N 3.01Å; A770-Y773 PolarHBondContact O-N 3.25Å; Y773-T775 PolarHBondContact O-N 2.91Å; Y773-L776 PolarHBondContact O-N 3.37Å; Y773-L776 VanDerWaalsContact O-N 3.13Å; Y773-L777 HydrophobicContact CD1-CD1 4.04Å; Y773-L777 HydrophobicContact CD2-CG 4.32Å; Y773-L777 HydrophobicContact CE1-CD1 3.7Å; Y773-L777 HydrophobicContact CE1-CG 4.39Å; Y773-L777 HydrophobicContact CE2-CD1 4.22Å; Y773-L777 HydrophobicContact CE2-CD2 4.02Å; Y773-L777 HydrophobicContact CE2-CG 4.02Å; Y773-L777 HydrophobicContact CG-CD1 4.48Å; Y773-L777 WeakPolarHBondContact O-CG 3.46Å; Y773-L777 PolarHBondContact O-N 3.3Å
774	E	95.3	Very high	94.9	Very high	41 Å²	41	18.7 Å²	18.7	19%	0.192	9%	0.094	C	C	.	.	H	α-helix	trans	-55	-42.3	172.7	-71.8	175.8	-168.7	0	0	111.1	R161 A770 L777 D778	R161-E774 WeakPolarHBondContact CD-OE2 3.4Å; R161-E774 IonicContact CZ-OE1 2.73Å; R161-E774 VanDerWaalsContact CZ-OE1 3.25Å; R161-E774 IonicContact CZ-OE2 3.99Å; R161-E774 VanDerWaalsContact NE-CD 3.32Å; R161-E774 IonicContact NE-OE1 2.74Å; R161-E774 PolarHBondContact NE-OE1 3.22Å; R161-E774 IonicContact NE-OE2 2.7Å; R161-E774 PolarHBondContact NE-OE2 3.43Å; R161-E774 IonicContact NH2-OE1 3.08Å; R161-E774 PolarHBondContact NH2-OE1 2.96Å; R161-E774 IonicContact NH2-OE2 2.79Å; A770-E774 VanDerWaalsContact O-CB 3.26Å; A770-E774 WeakPolarHBondContact O-CB 3.36Å; A770-E774 VanDerWaalsContact O-CG 3.28Å; A770-E774 WeakPolarHBondContact O-CG 3.18Å; A770-E774 PolarHBondContact O-N 3.14Å; E774-L777 PolarHBondContact O-N 3.38Å; E774-D778 VanDerWaalsContact O-CG 3.26Å; E774-D778 PolarHBondContact O-N 3.06Å
775	T	96.1	Very high	94.1	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.031	12%	0.119	C	C	.	.	H	α-helix	trans	-67.8	-37.9	178.1	-59.3	0	0	0	0	112.9	L311 K314 Y653 Y771 R772 Y773 D778 E779	L311-T775 HydrophobicContact CD2-CG2 3.39Å; K314-T775 HydrophobicContact CD-CG2 3.76Å; K314-T775 PolarHBondContact NZ-OG1 3.39Å; Y653-T775 PolarHBondContact OH-O 3.17Å; Y771-T775 WeakPolarHBondContact O-CB 3.4Å; Y771-T775 PolarHBondContact O-N 2.87Å; Y771-T775 VanDerWaalsContact O-N 3.09Å; Y771-T775 PolarHBondContact O-OG1 3.17Å; R772-T775 PolarHBondContact O-N 2.99Å; Y773-T775 PolarHBondContact O-N 2.91Å; T775-D778 WeakPolarHBondContact O-CB 3.21Å; T775-D778 PolarHBondContact O-N 3.27Å; T775-E779 WeakPolarHBondContact O-CG 3.33Å; T775-E779 PolarHBondContact O-N 3.1Å
776	L	96.7	Very high	93	Very high	11 Å²	11	25.1 Å²	25.1	6%	0.058	12%	0.122	C	C	.	.	H	α-helix	trans	-66.8	-39.8	173.3	-179.5	62	0	0	0	111.8	Y653 Q656 R772 Y773 E779 L780	Y653-L776 HydrophobicContact CE1-CD1 4.03Å; Y653-L776 HydrophobicContact CE2-CD1 4.45Å; Y653-L776 WeakPolarHBondContact OH-CA 3.39Å; Y653-L776 PolarHBondContact OH-N 3.34Å; Q656-L776 HydrophobicContact CG-CD2 3.73Å; R772-L776 PolarHBondContact O-N 2.87Å; Y773-L776 PolarHBondContact O-N 3.37Å; Y773-L776 VanDerWaalsContact O-N 3.13Å; L776-E779 PolarHBondContact O-N 2.94Å; L776-L780 HydrophobicContact CD1-CD1 4.03Å; L776-L780 HydrophobicContact CD1-CG 4.23Å; L776-L780 HydrophobicContact CG-CD1 3.92Å; L776-L780 WeakPolarHBondContact O-CB 3.37Å; L776-L780 WeakPolarHBondContact O-CG 3.49Å; L776-L780 PolarHBondContact O-N 2.94Å
777	L	95.1	Very high	91.3	Very high	45 Å²	45	25.1 Å²	25.1	24%	0.236	12%	0.124	C	C	.	.	H	α-helix	trans	-63.5	-38.9	173.5	-67.9	179.4	0	0	0	112	T205 F209 Y773 E774 S781	T205-L777 HydrophobicContact CG2-CD2 3.61Å; F209-L777 HydrophobicContact CE2-CD2 3.82Å; F209-L777 HydrophobicContact CZ-CD2 4.37Å; Y773-L777 HydrophobicContact CD1-CD1 4.04Å; Y773-L777 HydrophobicContact CD2-CG 4.32Å; Y773-L777 HydrophobicContact CE1-CD1 3.7Å; Y773-L777 HydrophobicContact CE1-CG 4.39Å; Y773-L777 HydrophobicContact CE2-CD1 4.22Å; Y773-L777 HydrophobicContact CE2-CD2 4.02Å; Y773-L777 HydrophobicContact CE2-CG 4.02Å; Y773-L777 HydrophobicContact CG-CD1 4.48Å; Y773-L777 WeakPolarHBondContact O-CG 3.46Å; Y773-L777 PolarHBondContact O-N 3.3Å; E774-L777 PolarHBondContact O-N 3.38Å; L777-S781 WeakPolarHBondContact O-CA 3.38Å; L777-S781 WeakPolarHBondContact O-CB 3.35Å; L777-S781 PolarHBondContact O-N 2.98Å
778	D	92.9	Very high	89.5	Confident	83 Å²	83	28.8 Å²	28.8	44%	0.444	14%	0.141	S	C	.	.	H	α-helix	trans	-60.8	-51.9	174.2	-74.1	-25.9	0	0	0	111.2	K314 E774 T775 S781 N782	K314-D778 IonicContact NZ-OD2 3.7Å; K314-D778 PolarHBondContact NZ-OD2 3.1Å; E774-D778 VanDerWaalsContact O-CG 3.26Å; E774-D778 PolarHBondContact O-N 3.06Å; T775-D778 WeakPolarHBondContact O-CB 3.21Å; T775-D778 PolarHBondContact O-N 3.27Å; D778-S781 PolarHBondContact O-N 3.27Å; D778-N782 WeakPolarHBondContact O-CB 3.49Å; D778-N782 PolarHBondContact O-N 2.67Å
779	E	94.3	Very high	87.4	Confident	1 Å²	1	33 Å²	33	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-65.5	-42.9	-178.2	-67.1	-46.8	116	0	0	112.2	R307 Y310 L311 Y650 Y653 L654 T775 L776 N782 I783	R307-E779 IonicContact CZ-OE1 3.75Å; R307-E779 IonicContact CZ-OE2 3.24Å; R307-E779 VanDerWaalsContact CZ-OE2 3.24Å; R307-E779 IonicContact NE-OE1 3.97Å; R307-E779 IonicContact NE-OE2 2.74Å; R307-E779 PolarHBondContact NE-OE2 3.01Å; R307-E779 IonicContact NH2-OE1 2.73Å; R307-E779 PolarHBondContact NH2-OE1 3.18Å; R307-E779 IonicContact NH2-OE2 2.93Å; R307-E779 PolarHBondContact NH2-OE2 3.48Å; Y310-E779 VanDerWaalsContact CE1-OE1 3.23Å; Y310-E779 WeakPolarHBondContact CE1-OE1 3.23Å; L311-E779 HydrophobicContact CD2-CG 3.9Å; Y650-E779 PolarHBondContact OH-OE2 3.43Å; Y650-E779 VanDerWaalsContact OH-OE2 3.06Å; Y653-E779 HydrophobicContact CE1-CB 3.96Å; Y653-E779 HydrophobicContact CE1-CG 3.82Å; L654-E779 HydrophobicContact CD2-CB 4.15Å; T775-E779 WeakPolarHBondContact O-CG 3.33Å; T775-E779 PolarHBondContact O-N 3.1Å; L776-E779 PolarHBondContact O-N 2.94Å; E779-N782 WeakPolarHBondContact O-CB 3.48Å; E779-N782 PolarHBondContact O-N 2.84Å; E779-I783 WeakPolarHBondContact O-CG1 3.31Å; E779-I783 PolarHBondContact O-N 3.41Å
780	L	94.7	Very high	84.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.4	-44.2	172.6	-71.8	168.7	0	0	0	110.5	T205 T206 F209 L654 L776 N782 I783 F784	T205-L780 HydrophobicContact CG2-CD1 3.72Å; T206-L780 HydrophobicContact CG2-CD2 3.95Å; F209-L780 HydrophobicContact CD1-CB 4.21Å; F209-L780 HydrophobicContact CD2-CB 3.77Å; F209-L780 HydrophobicContact CD2-CD1 3.75Å; F209-L780 HydrophobicContact CD2-CG 4.29Å; F209-L780 HydrophobicContact CE1-CB 4.12Å; F209-L780 HydrophobicContact CE2-CB 3.67Å; F209-L780 HydrophobicContact CE2-CD1 3.95Å; F209-L780 HydrophobicContact CE2-CG 4.46Å; F209-L780 HydrophobicContact CG-CB 4.04Å; F209-L780 HydrophobicContact CZ-CB 3.85Å; L654-L780 HydrophobicContact CB-CD2 4.49Å; L654-L780 HydrophobicContact CD2-CD2 3.92Å; L654-L780 HydrophobicContact CD2-CG 4.23Å; L776-L780 HydrophobicContact CD1-CD1 4.03Å; L776-L780 HydrophobicContact CD1-CG 4.23Å; L776-L780 HydrophobicContact CG-CD1 3.92Å; L776-L780 WeakPolarHBondContact O-CB 3.37Å; L776-L780 WeakPolarHBondContact O-CG 3.49Å; L776-L780 PolarHBondContact O-N 2.94Å; L780-N782 VanDerWaalsContact C-N 3.28Å; L780-N782 PolarHBondContact O-N 2.85Å; L780-I783 PolarHBondContact O-N 3.43Å; L780-F784 HydrophobicContact CD2-CD2 4.4Å; L780-F784 HydrophobicContact CD2-CE2 4.01Å; L780-F784 WeakPolarHBondContact O-CB 3.42Å; L780-F784 VanDerWaalsContact O-CD2 3.25Å; L780-F784 WeakPolarHBondContact O-CD2 3.45Å; L780-F784 PolarHBondContact O-N 2.91Å
781	S	91.3	Very high	82.4	Confident	24 Å²	24	36.4 Å²	36.4	17%	0.168	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-35.5	178.1	-175.6	0	0	0	0	112.6	L777 D778 K785	L777-S781 WeakPolarHBondContact O-CA 3.38Å; L777-S781 WeakPolarHBondContact O-CB 3.35Å; L777-S781 PolarHBondContact O-N 2.98Å; D778-S781 PolarHBondContact O-N 3.27Å; S781-K785 WeakPolarHBondContact O-CB 3.49Å; S781-K785 WeakPolarHBondContact O-CD 3.17Å; S781-K785 WeakPolarHBondContact O-CG 3.4Å; S781-K785 PolarHBondContact O-N 3.1Å; S781-K785 VanDerWaalsContact OG-CD 3.27Å; S781-K785 WeakPolarHBondContact OG-CD 3.44Å; S781-K785 WeakPolarHBondContact OG-CE 3.31Å; S781-K785 PolarHBondContact OG-NZ 3.07Å
782	N	88.3	Confident	79.9	Confident	29 Å²	29	40.6 Å²	40.6	16%	0.155	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-49	176.1	-173.4	18.4	0	0	0	111	D778 E779 L780 V786	D778-N782 WeakPolarHBondContact O-CB 3.49Å; D778-N782 PolarHBondContact O-N 2.67Å; E779-N782 WeakPolarHBondContact O-CB 3.48Å; E779-N782 PolarHBondContact O-N 2.84Å; L780-N782 VanDerWaalsContact C-N 3.28Å; L780-N782 PolarHBondContact O-N 2.85Å; N782-V786 WeakPolarHBondContact O-CG2 3.46Å
783	I	90.3	Very high	77.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-45.4	177.4	-65.8	163.5	0	0	0	111.6	S181 L184 I185 Y650 L654 E779 L780	S181-I783 WeakPolarHBondContact CB-O 3.15Å; S181-I783 PolarHBondContact OG-O 3.02Å; L184-I783 HydrophobicContact CB-CG2 4.36Å; L184-I783 HydrophobicContact CD1-CD1 4.03Å; L184-I783 HydrophobicContact CD1-CG1 4.21Å; I185-I783 HydrophobicContact CD1-CG2 3.99Å; I185-I783 HydrophobicContact CG1-CG2 3.66Å; Y650-I783 HydrophobicContact CE1-CD1 3.88Å; L654-I783 HydrophobicContact CD1-CD1 3.39Å; L654-I783 HydrophobicContact CD2-CD1 3.7Å; L654-I783 HydrophobicContact CG-CD1 4.19Å; E779-I783 WeakPolarHBondContact O-CG1 3.31Å; E779-I783 PolarHBondContact O-N 3.41Å; L780-I783 PolarHBondContact O-N 3.43Å
784	F	89.1	Confident	75	Confident	1 Å²	1	45.5 Å²	45.5	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-86.6	-24.7	-169.1	-80.2	-93.7	0	0	0	114.7	I185 L188 F209 L210 V213 L780 V786	I185-F784 HydrophobicContact CD1-CD1 3.84Å; I185-F784 HydrophobicContact CD1-CE1 3.98Å; I185-F784 HydrophobicContact CD1-CG 4.17Å; I185-F784 HydrophobicContact CD1-CZ 4.42Å; I185-F784 HydrophobicContact CG1-CD1 4.16Å; I185-F784 HydrophobicContact CG1-CD2 4.44Å; I185-F784 HydrophobicContact CG1-CE1 3.82Å; I185-F784 HydrophobicContact CG1-CE2 4.14Å; I185-F784 HydrophobicContact CG1-CG 4.47Å; I185-F784 HydrophobicContact CG1-CZ 3.82Å; I185-F784 HydrophobicContact CG2-CE1 4.16Å; I185-F784 HydrophobicContact CG2-CZ 4.48Å; L188-F784 HydrophobicContact CD1-CE2 3.7Å; L188-F784 HydrophobicContact CD1-CZ 3.87Å; F209-F784 HydrophobicContact CB-CD1 4.13Å; F209-F784 HydrophobicContact CB-CD2 3.9Å; F209-F784 HydrophobicContact CB-CE1 4.07Å; F209-F784 HydrophobicContact CB-CE2 3.83Å; F209-F784 HydrophobicContact CB-CG 4.05Å; F209-F784 HydrophobicContact CB-CZ 3.9Å; F209-F784 HydrophobicContact CD1-CB 3.77Å; F209-F784 AromaticContact CD1-CD2 3.96Å; F209-F784 HydrophobicContact CD1-CD2 3.96Å; F209-F784 AromaticContact CD1-CG 3.84Å; F209-F784 HydrophobicContact CD1-CG 3.84Å; F209-F784 HydrophobicContact CE1-CB 4.39Å; F209-F784 HydrophobicContact CG-CD2 4.19Å; F209-F784 HydrophobicContact CG-CG 4.36Å; L210-F784 HydrophobicContact CD2-CE1 4.13Å; L210-F784 HydrophobicContact CD2-CZ 3.83Å; L210-F784 HydrophobicContact CG-CZ 4.13Å; V213-F784 HydrophobicContact CG2-CD1 3.4Å; V213-F784 HydrophobicContact CG2-CE1 3.55Å; L780-F784 HydrophobicContact CD2-CD2 4.4Å; L780-F784 HydrophobicContact CD2-CE2 4.01Å; L780-F784 WeakPolarHBondContact O-CB 3.42Å; L780-F784 VanDerWaalsContact O-CD2 3.25Å; L780-F784 WeakPolarHBondContact O-CD2 3.45Å; L780-F784 PolarHBondContact O-N 2.91Å; F784-V786 VanDerWaalsContact C-N 3.34Å
785	K	81.5	Confident	72.6	Confident	127 Å²	127	49.7 Å²	49.7	55%	0.552	27%	0.273	S	S	*	.	H	α-helix	trans	-64	-39.8	176.9	-86.5	171.2	172.7	145.5	0	112.3	S781 N787 Q788 T789	S781-K785 WeakPolarHBondContact O-CB 3.49Å; S781-K785 WeakPolarHBondContact O-CD 3.17Å; S781-K785 WeakPolarHBondContact O-CG 3.4Å; S781-K785 PolarHBondContact O-N 3.1Å; S781-K785 VanDerWaalsContact OG-CD 3.27Å; S781-K785 WeakPolarHBondContact OG-CD 3.44Å; S781-K785 WeakPolarHBondContact OG-CE 3.31Å; S781-K785 PolarHBondContact OG-NZ 3.07Å; K785-N787 PolarHBondContact O-N 2.83Å; K785-Q788 WeakPolarHBondContact O-CA 3.45Å; K785-Q788 WeakPolarHBondContact O-CB 3.43Å; K785-Q788 PolarHBondContact O-N 2.79Å; K785-T789 PolarHBondContact O-N 3.21Å; K785-T789 PolarHBondContact O-OG1 3.48Å
786	V	72.9	Confident	70.3	Confident	11 Å²	11	55.8 Å²	55.8	7%	0.067	31%	0.306	C	S	.	.	H	α-helix	trans	-58.4	-50.1	-173.5	175.2	0	0	0	0	110.7	L177 E178 N782 F784 Q788 T789 C790	L177-V786 HydrophobicContact CD2-CG2 3.58Å; L177-V786 HydrophobicContact CG-CG1 4.5Å; L177-V786 HydrophobicContact CG-CG2 3.84Å; E178-V786 HydrophobicContact CB-CG1 4.09Å; E178-V786 HydrophobicContact CG-CG1 3.33Å; N782-V786 WeakPolarHBondContact O-CG2 3.46Å; F784-V786 VanDerWaalsContact C-N 3.34Å; V786-Q788 PolarHBondContact O-N 2.78Å; V786-T789 PolarHBondContact O-N 3.27Å; V786-T789 VanDerWaalsContact O-N 3.14Å; V786-T789 PolarHBondContact O-OG1 3.49Å; V786-C790 PolarHBondContact O-N 3.44Å; V786-C790 VanDerWaalsContact O-N 3.17Å; V786-C790 PolarHBondContact O-SG 3.49Å
787	N	60.8	Low	67.9	Low	46 Å²	46	59.4 Å²	59.4	25%	0.246	34%	0.337	C	S	.	.	H	α-helix	trans	-66.6	-18.9	175.2	-90.2	-10.2	0	0	0	114.7	T182 I185 K785	T182-N787 PolarHBondContact OG1-ND2 2.69Å; T182-N787 PolarHBondContact OG1-OD1 3.49Å; I185-N787 HydrophobicContact CD1-CB 4.41Å; K785-N787 PolarHBondContact O-N 2.83Å
788	Q	58.4	Low	65	Low	85 Å²	85	65.3 Å²	65.3	40%	0.397	38%	0.375	S	S	.	.	H	α-helix	trans	-77.5	-38.3	172	-66.7	175.1	-5.5	0	0	111.4	K785 V786 I792	K785-Q788 WeakPolarHBondContact O-CA 3.45Å; K785-Q788 WeakPolarHBondContact O-CB 3.43Å; K785-Q788 PolarHBondContact O-N 2.79Å; V786-Q788 PolarHBondContact O-N 2.78Å; Q788-I792 WeakPolarHBondContact O-CD1 3.38Å; Q788-I792 WeakPolarHBondContact O-CG1 3.41Å
789	T	53.8	Low	63.6	Low	90 Å²	90	64.4 Å²	64.4	55%	0.552	37%	0.372	S	S	*	.	H	α-helix	trans	-69.1	-43.6	178.2	33.9	0	0	0	0	113	K785 V786 S791 I792 A793	K785-T789 PolarHBondContact O-N 3.21Å; K785-T789 PolarHBondContact O-OG1 3.48Å; V786-T789 PolarHBondContact O-N 3.27Å; V786-T789 VanDerWaalsContact O-N 3.14Å; V786-T789 PolarHBondContact O-OG1 3.49Å; T789-S791 PolarHBondContact O-N 3.18Å; T789-I792 PolarHBondContact O-N 3.21Å; T789-A793 PolarHBondContact O-N 3.45Å; T789-A793 VanDerWaalsContact O-N 3.11Å
790	C	43.1	Very low	62	Low	26 Å²	26	67.7 Å²	67.7	18%	0.176	39%	0.391	C	S	.	.	H	α-helix	trans	-65.4	-42.5	-178.4	-47.1	0	0	0	0	111.6	E178 V786 I792 A793 D794	E178-C790 PolarHBondContact OE1-SG 3.11Å; V786-C790 PolarHBondContact O-N 3.44Å; V786-C790 VanDerWaalsContact O-N 3.17Å; V786-C790 PolarHBondContact O-SG 3.49Å; C790-I792 PolarHBondContact O-N 3.34Å; C790-A793 WeakPolarHBondContact O-CA 3.49Å; C790-A793 WeakPolarHBondContact O-CB 3.46Å; C790-A793 PolarHBondContact O-N 2.97Å; C790-D794 PolarHBondContact O-N 3.29Å
791	S	45.3	Very low	60.2	Low	62 Å²	62	71.5 Å²	71.5	43%	0.434	41%	0.413	S	S	.	.	H	α-helix	trans	-65.4	-22.3	179.7	-167	0	0	0	0	113.7	T789 M795	T789-S791 PolarHBondContact O-N 3.18Å; S791-M795 PolarHBondContact O-N 3.49Å
792	I	44	Very low	58.4	Low	101 Å²	101	74.3 Å²	74.3	52%	0.518	43%	0.427	S	S	.	.	H	α-helix	trans	-82	-34.7	171.3	-65.5	168	0	0	0	111.1	Q788 T789 C790 N796	Q788-I792 WeakPolarHBondContact O-CD1 3.38Å; Q788-I792 WeakPolarHBondContact O-CG1 3.41Å; T789-I792 PolarHBondContact O-N 3.21Å; C790-I792 PolarHBondContact O-N 3.34Å; I792-N796 PolarHBondContact O-N 3.11Å; I792-N796 PolarHBondContact O-ND2 3.07Å
793	A	44.6	Very low	56.5	Low	58 Å²	58	77.1 Å²	77.1	48%	0.479	44%	0.444	S	S	.	.	H	α-helix	trans	-64	-45.5	174.6	0	0	0	0	0	111.3	T789 C790 M795 N796 A797	T789-A793 PolarHBondContact O-N 3.45Å; T789-A793 VanDerWaalsContact O-N 3.11Å; C790-A793 WeakPolarHBondContact O-CA 3.49Å; C790-A793 WeakPolarHBondContact O-CB 3.46Å; C790-A793 PolarHBondContact O-N 2.97Å; A793-M795 PolarHBondContact O-N 3.11Å; A793-N796 PolarHBondContact O-N 2.98Å; A793-N796 VanDerWaalsContact O-N 3.11Å; A793-A797 PolarHBondContact O-N 3.22Å; A793-A797 VanDerWaalsContact O-N 3.08Å
794	D	45.7	Very low	54.3	Low	109 Å²	109	82.3 Å²	82.3	58%	0.583	47%	0.474	S	S	*	.	H	α-helix	trans	-60.9	-42.6	176.8	-69.9	-29.9	0	0	0	112.2	C790 N796 A797 T798	C790-D794 PolarHBondContact O-N 3.29Å; D794-N796 PolarHBondContact O-N 3.19Å; D794-A797 PolarHBondContact O-N 3.08Å; D794-T798 PolarHBondContact O-N 3.44Å; D794-T798 PolarHBondContact O-OG1 2.96Å
795	M	45.6	Very low	51.8	Low	129 Å²	129	88.1 Å²	88.1	64%	0.635	51%	0.508	S	S	*	.	H	α-helix	trans	-68.6	-17.1	176.6	-79.5	-165.3	-111.5	0	0	114.5	S791 A793	S791-M795 PolarHBondContact O-N 3.49Å; A793-M795 PolarHBondContact O-N 3.11Å
796	N	47	Very low	49.5	Very low	134 Å²	134	85.1 Å²	85.1	72%	0.717	50%	0.504	S	S	*	.	H	α-helix	trans	-94.7	-8.9	171.8	-71	-46.6	0	0	0	112.6	I792 A793 D794	I792-N796 PolarHBondContact O-N 3.11Å; I792-N796 PolarHBondContact O-ND2 3.07Å; A793-N796 PolarHBondContact O-N 2.98Å; A793-N796 VanDerWaalsContact O-N 3.11Å; D794-N796 PolarHBondContact O-N 3.19Å
797	A	47	Very low	47.5	Very low	87 Å²	87	91.3 Å²	91.3	72%	0.719	54%	0.541	S	S	*	.	H	α-helix	trans	-96.8	-13.9	177	0	0	0	0	0	113.1	A793 D794	A793-A797 PolarHBondContact O-N 3.22Å; A793-A797 VanDerWaalsContact O-N 3.08Å; D794-A797 PolarHBondContact O-N 3.08Å
798	T	35	Very low	46.3	Very low	168 Å²	168	95.4 Å²	95.4	100%	1.031	57%	0.567	S	S	*	*			trans	-96.1	0	170	57.6	0	0	0	0	112.5	D794	D794-T798 PolarHBondContact O-N 3.44Å; D794-T798 PolarHBondContact O-OG1 2.96Å

Retrieved 798 of 798 residues in 470.6 ms (Link to these results)

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