A0A096NCE2_PAPAN Loading...

alpha-1,2-Mannosidase

Involved in the maturation of Asn-linked oligosaccharides. Progressively trim alpha-1,2-linked mannose residues from Man(9)GlcNAc(2) to produce Man(5)GlcNAc(2).

AlphaFold DB (A0A096MVJ3), UniProt , Accession A0A096NCE2, Species PAPAN (Papio anubis, Olive baboon), Gene MAN1A1, Length 737 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.9	Very low	30.4	Very low	219 Å²	219	160.1 Å²	160.1	100%	1.079	82%	0.817	S	S	*	*				0	65.1	0	-43.9	-172.3	-136.6	0	0	107.5
2	E	31	Very low	30.2	Very low	160 Å²	160	162 Å²	162	75%	0.748	82%	0.82	S	S	*	*				69.1	122.9	63.5	-62.4	149.6	132.2	0	0	110.4
3	N	32.5	Very low	30.7	Very low	142 Å²	142	158.7 Å²	158.7	76%	0.759	82%	0.816	S	S	*	*			cis	-120.9	155.2	16	-67.2	-57.5	0	0	0	111.2
4	L	37.1	Very low	30.5	Very low	142 Å²	142	154.7 Å²	154.7	74%	0.743	82%	0.819	S	S	*	*				64.3	126.3	50.2	-72.5	172.9	0	0	0	112.5
5	T	36.9	Very low	30.4	Very low	108 Å²	108	153.9 Å²	153.9	66%	0.663	82%	0.822	S	S	*	*			cis	-158.8	-179.1	1.6	-28	0	0	0	0	110.3
6	N	31.6	Very low	30.1	Very low	135 Å²	135	151.8 Å²	151.8	72%	0.722	82%	0.821	S	S	*	*			trans	80.8	144.7	166.9	-56.4	-12.7	0	0	0	116.4
7	F	26.6	Very low	30	Very low	187 Å²	187	157.6 Å²	157.6	82%	0.82	83%	0.828	S	S	*	*			cis	-140.5	147.5	-2.5	-129.8	-67.4	0	0	0	109.1
8	Y	28.5	Very low	29.9	Very low	222 Å²	222	154.1 Å²	154.1	87%	0.871	83%	0.825	S	S	*	*			trans	-116.5	130.2	174.6	-115.5	-93.5	0	0	0	109
9	E	28.2	Very low	29.7	Very low	199 Å²	199	152.4 Å²	152.4	93%	0.93	83%	0.825	S	S	*	*			trans	174.8	150.5	137.1	-104.4	-178.9	-176.5	0	0	113.1
10	G	25.4	Very low	29.7	Very low	70 Å²	70	152.7 Å²	152.7	72%	0.722	83%	0.826	S	S	*	*			trans	84.9	94.5	149.4	0	0	0	0	0	119.3
11	L	26.8	Very low	29.6	Very low	177 Å²	177	151.5 Å²	151.5	93%	0.927	83%	0.828	S	S	*	*				-174.8	125.4	119.7	-100.2	160.6	0	0	0	111.8
12	Q	27.7	Very low	29.5	Very low	183 Å²	183	146 Å²	146	86%	0.855	82%	0.817	S	S	*	*			trans	-135.6	162.9	166.2	-110.6	-164.3	-8.5	0	0	109
13	P	36.2	Very low	29.5	Very low	119 Å²	119	150.4 Å²	150.4	77%	0.773	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-74.8	149.1	-153.3	28.3	-36.3	0	0	0	115.2
14	A	28.3	Very low	29.2	Very low	103 Å²	103	147.4 Å²	147.4	85%	0.851	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-85	118.9	-177.6	0	0	0	0	0	112.8
15	V	28.7	Very low	28.7	Very low	142 Å²	142	145.2 Å²	145.2	86%	0.861	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-84.3	127.6	163	174.8	0	0	0	0	108.8
16	C	25.8	Very low	28.3	Very low	120 Å²	120	144.5 Å²	144.5	81%	0.811	84%	0.837	S	S	*	*			trans	-125	88.7	-178.2	-137.9	0	0	0	0	112.8
17	R	28.6	Very low	29.2	Very low	251 Å²	251	144.4 Å²	144.4	95%	0.947	84%	0.844	S	S	*	*			trans	-81.3	124.2	154	-91	-174.8	170.7	-172.3	-1.3	108.1
18	A	28.5	Very low	29.2	Very low	94 Å²	94	139.3 Å²	139.3	78%	0.777	84%	0.844	S	S	*	*			trans	-136.5	120.2	167.5	0	0	0	0	0	110.4
19	C	26.6	Very low	29.1	Very low	122 Å²	122	140.7 Å²	140.7	82%	0.824	85%	0.847	S	S	*	*			trans	-154.5	148.7	169.6	-166.9	0	0	0	0	109.2
20	L	28.3	Very low	29.3	Very low	159 Å²	159	142.5 Å²	142.5	83%	0.832	85%	0.846	S	S	*	*			trans	64.6	111.6	178.1	-61.5	164.5	0	0	0	117.4
21	C	27.9	Very low	30.1	Very low	128 Å²	128	145.3 Å²	145.3	87%	0.865	85%	0.851	S	S	*	*				-163.5	115.1	119.6	-102.7	0	0	0	0	113.8
22	A	27.7	Very low	30.2	Very low	104 Å²	104	140.5 Å²	140.5	86%	0.86	84%	0.844	S	S	*	*			trans	-149.3	140.1	151.7	0	0	0	0	0	107.9
23	R	31.9	Very low	30.3	Very low	252 Å²	252	136.5 Å²	136.5	95%	0.951	84%	0.842	S	S	*	*			trans	-132.8	146.6	-175.1	-84	-177.5	168.1	-174.4	-1.8	111.4
24	G	24.9	Very low	30.1	Very low	78 Å²	78	139 Å²	139	80%	0.804	84%	0.843	S	S	*	*			trans	-155.7	128.4	168.4	0	0	0	0	0	112
25	A	27.4	Very low	30.1	Very low	97 Å²	97	140.4 Å²	140.4	80%	0.802	84%	0.836	S	S	*	*			trans	-49.6	144.2	-178.7	0	0	0	0	0	114.6
26	A	29.1	Very low	30.2	Very low	93 Å²	93	140.9 Å²	140.9	77%	0.769	83%	0.827	S	S	*	*			cis	75.5	152.6	46.4	0	0	0	0	0	114.4
27	P	49.1	Very low	31.3	Very low	133 Å²	133	140.8 Å²	140.8	86%	0.864	83%	0.825	S	S	*	*			cis	-133	173.8	-9.4	40.9	-24.6	0	0	0	115.5
28	G	27.3	Very low	31.6	Very low	80 Å²	80	136.4 Å²	136.4	83%	0.825	82%	0.815	S	S	*	*			trans	-174.6	131.1	171.7	0	0	0	0	0	118.5
29	R	27.2	Very low	31.7	Very low	250 Å²	250	135.1 Å²	135.1	94%	0.943	81%	0.811	S	S	*	*			trans	-60.4	157.3	-171	-64	169.2	174.8	-180	-1.9	118.7
30	R	32.2	Very low	31.8	Very low	238 Å²	238	141.1 Å²	141.1	90%	0.898	82%	0.816	S	S	*	*			trans	-86.3	161.7	151.4	-56.9	-178.4	176.1	179.3	-2.7	110.4
31	P	42.2	Very low	31.9	Very low	129 Å²	129	139.1 Å²	139.1	84%	0.838	82%	0.816	S	S	*	*				-154.8	175.8	87.2	41.6	-22.9	0	0	0	116.8
32	G	29.1	Very low	32.1	Very low	76 Å²	76	137.3 Å²	137.3	78%	0.784	81%	0.81	S	S	*	*			trans	82.3	142.2	163.7	0	0	0	0	0	116.4
33	A	29.5	Very low	32.3	Very low	98 Å²	98	137.4 Å²	137.4	81%	0.81	81%	0.81	S	S	*	*			cis	119.8	145.4	-1.8	0	0	0	0	0	115.1
34	E	31.2	Very low	32.2	Very low	171 Å²	171	134.1 Å²	134.1	80%	0.799	81%	0.806	S	S	*	*			trans	75.1	159.6	179.7	-60.5	-134.5	89	0	0	116.5
35	L	29.4	Very low	34	Very low	134 Å²	134	135.2 Å²	135.2	70%	0.702	80%	0.799	S	S	*	*			cis	-136.7	-122.5	7.6	-140.7	165.3	0	0	0	113.2
36	F	30.3	Very low	34.1	Very low	152 Å²	152	143 Å²	143	67%	0.667	81%	0.807	S	S	*	*			trans	-152.2	-177	-166.9	-91.7	-67.3	0	0	0	112	Q38	F36-Q38 HydrophobicContact CD1-CG 3.64Å; F36-Q38 HydrophobicContact CE1-CG 3.95Å; F36-Q38 HydrophobicContact CG-CG 4.47Å
37	P	48.1	Very low	34.1	Very low	117 Å²	117	141.5 Å²	141.5	76%	0.76	80%	0.801	S	S	*	*			cis	-122.6	150.8	12.7	23.3	1.4	0	0	0	116.5
38	Q	35.5	Very low	33.3	Very low	160 Å²	160	141.5 Å²	141.5	75%	0.748	80%	0.804	S	S	*	*				62.8	134.6	76.7	-57.5	-164.3	21.2	0	0	116.8	F36	F36-Q38 HydrophobicContact CD1-CG 3.64Å; F36-Q38 HydrophobicContact CE1-CG 3.95Å; F36-Q38 HydrophobicContact CG-CG 4.47Å
39	G	29.8	Very low	33.4	Very low	67 Å²	67	141.9 Å²	141.9	69%	0.691	81%	0.808	S	S	*	*			cis	165.2	-165.6	-4.6	0	0	0	0	0	115.5
40	R	29.3	Very low	33.5	Very low	248 Å²	248	133.5 Å²	133.5	94%	0.936	80%	0.8	S	S	*	*			trans	75.4	130.2	179.1	-56.2	-178.4	179.9	-168.4	-1	115.3
41	S	31.6	Very low	33.5	Very low	117 Å²	117	129.9 Å²	129.9	82%	0.818	80%	0.798	S	S	*	*			cis	90.3	132.1	35.1	-178.6	0	0	0	0	113.1
42	A	32.3	Very low	33.1	Very low	90 Å²	90	130.2 Å²	130.2	74%	0.744	79%	0.793	S	S	*	*			cis	-171.7	-165.2	-12.5	0	0	0	0	0	110
43	A	30.1	Very low	33.2	Very low	105 Å²	105	132.1 Å²	132.1	87%	0.868	79%	0.789	S	S	*	*			trans	93	159.1	163.9	0	0	0	0	0	119.4
44	Q	31.7	Very low	33.2	Very low	184 Å²	184	136.5 Å²	136.5	86%	0.86	79%	0.793	S	S	*	*			trans	-148.2	-162.3	-162	-144.9	-162.6	14.9	0	0	110.5
45	P	61	Low	33.3	Very low	101 Å²	101	135.8 Å²	135.8	66%	0.656	79%	0.794	S	S	*	*				-113.4	172.4	-120.7	41.8	-27.1	0	0	0	116.8
46	R	29.1	Very low	34.2	Very low	259 Å²	259	135 Å²	135	98%	0.977	80%	0.798	S	S	*	*			trans	-174.2	152.6	156.7	-97.4	157.2	-165.4	-153.8	4.2	108.1
47	G	30.9	Very low	34.5	Very low	62 Å²	62	132.3 Å²	132.3	64%	0.639	80%	0.803	S	S	*	*			cis	163.6	140.1	-10	0	0	0	0	0	112.9
48	S	31.5	Very low	34.1	Very low	133 Å²	133	132.8 Å²	132.8	93%	0.93	81%	0.806	S	S	*	*			trans	49.5	126.7	155.9	60.2	0	0	0	0	122.2
49	G	28.7	Very low	33.9	Very low	88 Å²	88	133.9 Å²	133.9	91%	0.907	81%	0.811	S	S	*	*			trans	168.5	130.8	156.7	0	0	0	0	0	113.2
50	G	29.6	Very low	34.8	Very low	75 Å²	75	135.3 Å²	135.3	77%	0.773	81%	0.808	S	S	*	*			trans	-179.9	164.7	175.9	0	0	0	0	0	112.3
51	L	31.8	Very low	34.7	Very low	162 Å²	162	135 Å²	135	85%	0.848	81%	0.807	S	S	*	*			trans	-173.7	152.8	163.6	-104.9	161	0	0	0	111.1
52	D	34.2	Very low	34.7	Very low	136 Å²	136	135.6 Å²	135.6	73%	0.727	81%	0.806	S	S	*	*			trans	-36.7	157.7	179	-40.5	-34.8	0	0	0	117.2
53	T	30.8	Very low	35.1	Very low	116 Å²	116	137.6 Å²	137.6	71%	0.712	81%	0.812	S	S	*	*				-172.6	152.4	58.3	40.1	0	0	0	0	115.5
54	Q	30.5	Very low	35	Very low	189 Å²	189	138 Å²	138	88%	0.883	81%	0.808	S	S	*	*			trans	74.5	138.9	141.5	-71.6	172.7	11	0	0	124.2
55	D	32.6	Very low	34.8	Very low	156 Å²	156	133.3 Å²	133.3	83%	0.834	81%	0.809	S	S	*	*			trans	-71.1	-177.5	168.4	-87.6	-61.2	0	0	0	114.6
56	P	49.1	Very low	33.1	Very low	119 Å²	119	132.2 Å²	132.2	77%	0.773	82%	0.816	S	S	*	*			cis	-133.4	-176.6	4.1	24.4	1.3	0	0	0	116.3
57	A	36	Very low	33.1	Very low	94 Å²	94	128.5 Å²	128.5	78%	0.777	81%	0.81	S	S	*	*			trans	-78.4	165.5	171	0	0	0	0	0	114.9
58	P	39.8	Very low	32.8	Very low	127 Å²	127	131.1 Å²	131.1	83%	0.825	81%	0.813	S	S	*	*			trans	-145.2	161.4	132	38.5	-24.5	0	0	0	117.1
59	Q	30.9	Very low	32.5	Very low	184 Å²	184	135.1 Å²	135.1	86%	0.86	81%	0.808	S	S	*	*			trans	-116.1	-176.1	156.8	-83.7	-163.6	13	0	0	108.3
60	P	48.8	Very low	32.3	Very low	97 Å²	97	137 Å²	137	63%	0.63	80%	0.796	S	S	*	*			cis	-128.8	-177.4	-21.7	22.7	0.2	0	0	0	112.7
61	R	27.3	Very low	32.1	Very low	240 Å²	240	140.5 Å²	140.5	91%	0.906	80%	0.797	S	S	*	*				162.5	163	120.7	-87.4	173.9	-176	-160.4	1.2	114.2
62	T	32.9	Very low	31.8	Very low	131 Å²	131	137.1 Å²	137.1	80%	0.804	79%	0.787	S	S	*	*			trans	-84.3	169.7	178.8	50.4	0	0	0	0	113.2
63	P	39.7	Very low	31.4	Very low	132 Å²	132	135.7 Å²	135.7	86%	0.857	79%	0.787	S	S	*	*				-133.2	-172.5	121	39.3	-30.9	0	0	0	113.6
64	S	28.8	Very low	31.3	Very low	113 Å²	113	134.3 Å²	134.3	79%	0.79	79%	0.788	S	S	*	*			trans	-129	141.9	-159.1	55.5	0	0	0	0	115.6
65	G	26.4	Very low	31.2	Very low	86 Å²	86	129.6 Å²	129.6	89%	0.887	78%	0.781	S	S	*	*			trans	72.7	146.2	143	0	0	0	0	0	119.6
66	G	25.7	Very low	31	Very low	77 Å²	77	129.4 Å²	129.4	79%	0.794	78%	0.779	S	S	*	*			trans	160.6	48.6	170.4	0	0	0	0	0	121.1
67	E	29.5	Very low	29.9	Very low	182 Å²	182	126.6 Å²	126.6	85%	0.85	77%	0.772	S	S	*	*			trans	60.6	161	139.9	-118.1	177.6	-150.8	0	0	124.6
68	V	24.6	Very low	29.6	Very low	117 Å²	117	129.2 Å²	129.2	71%	0.709	77%	0.768	S	S	*	*			trans	69.9	132.5	154.5	174	0	0	0	0	119.2
69	W	24.3	Very low	28.9	Very low	216 Å²	216	133.7 Å²	133.7	82%	0.818	77%	0.768	S	S	*	*			cis	-173.6	172.4	-26.2	-121.5	106.6	0	0	0	109.9
70	L	24.3	Very low	28.8	Very low	127 Å²	127	130 Å²	130	67%	0.665	76%	0.758	S	S	*	*			trans	85.9	134.5	144.6	-83.3	169.8	0	0	0	123.5
71	L	25.7	Very low	27.7	Very low	149 Å²	149	130.2 Å²	130.2	78%	0.78	77%	0.769	S	S	*	*			trans	74.5	134	152.4	-63.8	167.7	0	0	0	119.7
72	S	25.8	Very low	27.5	Very low	91 Å²	91	122.5 Å²	122.5	64%	0.636	76%	0.763	S	S	*	*			cis	-165.2	151.5	-12	-163	0	0	0	0	113.8
73	S	25.8	Very low	27.1	Very low	106 Å²	106	121.1 Å²	121.1	74%	0.741	77%	0.765	S	S	*	*			trans	36.8	145.3	142.8	58.8	0	0	0	0	122.1
74	A	28.2	Very low	26.3	Very low	87 Å²	87	123.4 Å²	123.4	72%	0.719	77%	0.767	S	S	*	*			cis	-161.9	150.8	0.6	0	0	0	0	0	107.9
75	A	28.3	Very low	27.1	Very low	90 Å²	90	123.5 Å²	123.5	74%	0.744	77%	0.765	S	S	*	*				67.1	141.7	62.7	0	0	0	0	0	112.6
76	L	28.7	Very low	27.1	Very low	152 Å²	152	125.8 Å²	125.8	80%	0.796	76%	0.761	S	S	*	*			cis	-144.8	176.5	16.5	-79.7	116	0	0	0	110.4
77	G	26.8	Very low	27	Very low	60 Å²	60	125.8 Å²	125.8	62%	0.619	76%	0.761	S	S	*	*			cis	159.2	159	-9.7	0	0	0	0	0	114.4
78	H	29.5	Very low	26.8	Very low	149 Å²	149	120.6 Å²	120.6	69%	0.69	76%	0.757	S	S	*	*			trans	62.9	157.2	140.8	-58.1	-47.3	0	0	0	120.9
79	W	25.5	Very low	26.9	Very low	221 Å²	221	123.5 Å²	123.5	84%	0.837	77%	0.767	S	S	*	*			cis	-142.8	128.3	35.9	-90.1	70.1	0	0	0	113.7
80	T	27.8	Very low	26.9	Very low	107 Å²	107	120.8 Å²	120.8	66%	0.656	77%	0.768	S	S	*	*				68.1	150.6	105	72.9	0	0	0	0	117.5
81	A	25.4	Very low	28	Very low	102 Å²	102	120 Å²	120	84%	0.843	77%	0.771	S	S	*	*			cis	-143.5	169.1	-0.4	0	0	0	0	0	107.6
82	G	24.6	Very low	28	Very low	77 Å²	77	120.5 Å²	120.5	79%	0.794	77%	0.773	S	S	*	*			cis	127.6	150.8	35.2	0	0	0	0	0	107.7
83	A	24.1	Very low	27.9	Very low	102 Å²	102	125.1 Å²	125.1	84%	0.843	78%	0.782	S	S	*	*			cis	-150.8	-135.9	3.5	0	0	0	0	0	111.3
84	M	22.4	Very low	27.9	Very low	180 Å²	180	125.7 Å²	125.7	89%	0.887	79%	0.786	S	S	*	*			trans	-157	-176.6	-172.5	-86.3	-164.9	177.9	0	0	110.4
85	P	45.6	Very low	27.9	Very low	116 Å²	116	127 Å²	127	75%	0.753	79%	0.79	S	S	*	*			cis	-114.8	-146.2	-4.5	18.2	8.5	0	0	0	111.9
86	V	25.6	Very low	28.2	Very low	133 Å²	133	128.9 Å²	128.9	81%	0.806	79%	0.794	S	S	*	*			cis	-155	144.9	17.5	178.1	0	0	0	0	112.1
87	G	24.9	Very low	28.3	Very low	77 Å²	77	126.8 Å²	126.8	79%	0.794	80%	0.799	S	S	*	*			trans	88.5	142.4	150.4	0	0	0	0	0	118.4
88	G	25.7	Very low	28.4	Very low	74 Å²	74	127.8 Å²	127.8	76%	0.763	81%	0.81	S	S	*	*			cis	171.2	127.4	-10.9	0	0	0	0	0	115.3
89	L	26.1	Very low	28.3	Very low	178 Å²	178	124.8 Å²	124.8	93%	0.932	82%	0.819	S	S	*	*			trans	70	135.1	162.2	-73.1	157.9	0	0	0	121.5
90	L	24.5	Very low	28.3	Very low	158 Å²	158	117.7 Å²	117.7	83%	0.827	81%	0.814	S	S	*	*			trans	-112.8	-160.9	160.6	-70.6	164.6	0	0	0	108.2
91	P	47.4	Very low	28.3	Very low	112 Å²	112	121.5 Å²	121.5	73%	0.727	83%	0.83	S	S	*	*				-114.1	-170.1	-95.2	39.6	-23.6	0	0	0	112.3
92	L	24.5	Very low	28.4	Very low	159 Å²	159	120.7 Å²	120.7	83%	0.832	83%	0.831	S	S	*	*			trans	172.4	171.9	133.2	-92.4	167.3	0	0	0	113.6
93	F	24.7	Very low	28.5	Very low	188 Å²	188	121.1 Å²	121.1	83%	0.825	84%	0.835	S	S	*	*			trans	-75.1	162.3	-175.2	-63.5	-106.4	0	0	0	114.7
94	S	25.6	Very low	28.7	Very low	117 Å²	117	120 Å²	120	82%	0.818	83%	0.834	S	S	*	*				177.2	151.1	114.8	-77.7	0	0	0	0	113.9
95	S	27.7	Very low	29	Very low	115 Å²	115	120.5 Å²	120.5	80%	0.804	84%	0.839	S	S	*	*			trans	-87.5	168.2	163.1	-51.1	0	0	0	0	111.2
96	P	35.6	Very low	28.2	Very low	129 Å²	129	118.8 Å²	118.8	84%	0.838	84%	0.843	S	S	*	*			trans	-129	157.3	143	37.7	-28.7	0	0	0	113
97	A	30.1	Very low	28.3	Very low	108 Å²	108	116.7 Å²	116.7	89%	0.893	85%	0.848	S	S	*	*			trans	-134.6	146.3	167.1	0	0	0	0	0	109.3
98	G	28.5	Very low	28.4	Very low	82 Å²	82	117 Å²	117	85%	0.845	85%	0.851	S	S	*	*			trans	147.1	120.5	166	0	0	0	0	0	116.8
99	G	27.5	Very low	28.5	Very low	86 Å²	86	117.7 Å²	117.7	89%	0.887	86%	0.859	S	S	*	*			trans	96.3	114.8	135	0	0	0	0	0	120
100	G	25.3	Very low	28.6	Very low	71 Å²	71	112.8 Å²	112.8	73%	0.732	85%	0.851	S	S	*	*				108.6	97.1	120.2	0	0	0	0	0	119.9
101	L	28.3	Very low	29	Very low	188 Å²	188	109.3 Å²	109.3	98%	0.984	85%	0.854	S	S	*	*			trans	42.1	124.3	130.5	-61.9	168.1	0	0	0	120.9
102	G	26.9	Very low	28.1	Very low	84 Å²	84	115.9 Å²	115.9	87%	0.866	86%	0.864	S	S	*	*			trans	162.3	113.1	158.9	0	0	0	0	0	113.2
103	G	27.6	Very low	28.4	Very low	86 Å²	86	117.7 Å²	117.7	89%	0.887	87%	0.865	S	S	*	*			trans	-106.5	155.8	178	0	0	0	0	0	113
104	G	27.4	Very low	28.8	Very low	80 Å²	80	115.9 Å²	115.9	83%	0.825	87%	0.869	S	S	*	*			trans	-171.9	113.1	179.3	0	0	0	0	0	114.1
105	L	29.2	Very low	29.1	Very low	189 Å²	189	115.5 Å²	115.5	99%	0.99	87%	0.866	S	S	*	*			trans	-50.4	144.7	178	-67.1	150.1	0	0	0	115
106	G	28.5	Very low	29.6	Very low	81 Å²	81	113 Å²	113	84%	0.835	86%	0.859	S	S	*	*			trans	-177.4	105.6	166.3	0	0	0	0	0	112.9
107	G	27.7	Very low	29.9	Very low	88 Å²	88	113.3 Å²	113.3	91%	0.907	86%	0.861	S	S	*	*			trans	-97.5	154.5	-178.9	0	0	0	0	0	113.9
108	G	27.5	Very low	30.5	Very low	83 Å²	83	113.1 Å²	113.1	86%	0.856	86%	0.859	S	S	*	*			trans	178.8	118.7	173.5	0	0	0	0	0	111.9
109	G	28.3	Very low	31.6	Very low	90 Å²	90	113.4 Å²	113.4	93%	0.928	85%	0.854	S	S	*	*			trans	-85.6	150.3	-178.8	0	0	0	0	0	113.5
110	G	27.7	Very low	33.2	Very low	75 Å²	75	113.9 Å²	113.9	77%	0.773	84%	0.835	S	S	*	*			trans	177.6	114.9	173.5	0	0	0	0	0	112
111	G	32.7	Very low	35.5	Very low	85 Å²	85	119.4 Å²	119.4	88%	0.876	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-69.4	135.1	-176.3	0	0	0	0	0	113.1
112	R	28.9	Very low	37.1	Very low	250 Å²	250	116.5 Å²	116.5	94%	0.943	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-94.5	123.8	173.2	-85.4	-176.9	167.5	162.1	-1.9	111.6
113	K	31	Very low	38.8	Very low	197 Å²	197	117.4 Å²	117.4	86%	0.857	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-69.9	157.4	165.6	-68.8	179.3	176.6	178.7	0	110.4
114	V	33.8	Very low	40.7	Very low	150 Å²	150	117.1 Å²	117.1	91%	0.909	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-56.4	134.7	169.6	178.5	0	0	0	0	110.6
115	S	31.8	Very low	42.6	Very low	108 Å²	108	118.5 Å²	118.5	76%	0.755	77%	0.767	S	S	*	*			trans	-110.1	126.2	172.1	54.4	0	0	0	0	110.4
116	G	37	Very low	44.7	Very low	63 Å²	63	115.7 Å²	115.7	65%	0.649	75%	0.747	S	S	*	*			trans	-75.2	-178.4	176.8	0	0	0	0	0	114.2
117	P	41.9	Very low	47	Very low	136 Å²	136	116.2 Å²	116.2	88%	0.883	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-58.5	144.9	-177.7	-24.3	34.8	0	0	0	113.6	A119	P117-A119 PolarHBondContact O-N 3.24Å
118	A	42.5	Very low	49.2	Very low	104 Å²	104	116.2 Å²	116.2	86%	0.86	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-67.2	123.7	-179.1	0	0	0	0	0	111.8
119	A	52.2	Low	51.7	Low	88 Å²	88	118 Å²	118	73%	0.727	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-80.6	123	172.4	0	0	0	0	0	110.5	P117	P117-A119 PolarHBondContact O-N 3.24Å
120	L	61.6	Low	54.3	Low	95 Å²	95	119.4 Å²	119.4	50%	0.497	69%	0.687	S	S	.	*	P	Polyproline II helix	trans	-54.4	141.4	174.4	-66.2	172.7	0	0	0	111.6	E124 K125 L128	L120-E124 WeakPolarHBondContact CA-OE2 3.4Å; L120-E124 HydrophobicContact CB-CB 4.39Å; L120-E124 WeakPolarHBondContact CB-OE2 3.5Å; L120-E124 WeakPolarHBondContact CD2-OE2 3.29Å; L120-K125 HydrophobicContact CB-CG 4.4Å; L120-K125 VanDerWaalsContact O-CE 3.22Å; L120-K125 WeakPolarHBondContact O-CE 3.17Å; L120-L128 HydrophobicContact CD1-CD1 4.22Å
121	R	73.3	Confident	56.8	Low	188 Å²	188	120.1 Å²	120.1	71%	0.709	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-68.7	156.2	180	-64.8	-179.6	170.6	-169	-2	110.6	T123 E124 K125	R121-T123 VanDerWaalsContact C-N 3.26Å; R121-T123 PolarHBondContact O-N 2.82Å; R121-E124 HydrophobicContact CB-CG 4.44Å; R121-E124 PolarHBondContact N-OE2 3.02Å; R121-E124 WeakPolarHBondContact O-CB 3.44Å; R121-E124 PolarHBondContact O-N 2.89Å; R121-E124 VanDerWaalsContact O-N 3.1Å; R121-K125 PolarHBondContact O-N 2.95Å
122	L	60.9	Low	59	Low	127 Å²	127	122.1 Å²	122.1	67%	0.665	66%	0.661	S	S	*	*	H	α-helix	trans	-58.6	-38.3	-172.7	-161.3	74.5	0	0	0	112.5	K125 F126	L122-K125 PolarHBondContact O-N 2.94Å; L122-F126 HydrophobicContact CD2-CE2 4.49Å; L122-F126 HydrophobicContact CG-CD2 4.4Å; L122-F126 HydrophobicContact CG-CE2 4.27Å; L122-F126 WeakPolarHBondContact O-CD2 3.43Å; L122-F126 PolarHBondContact O-N 2.82Å
123	T	62.8	Low	61.5	Low	103 Å²	103	113.1 Å²	113.1	63%	0.632	64%	0.636	S	S	*	*	H	α-helix	trans	-63.1	-41.4	176	39.3	0	0	0	0	113.4	R121 K125 F126 V127	R121-T123 VanDerWaalsContact C-N 3.26Å; R121-T123 PolarHBondContact O-N 2.82Å; T123-K125 VanDerWaalsContact C-N 3.29Å; T123-K125 PolarHBondContact O-N 3.03Å; T123-F126 PolarHBondContact O-N 3.1Å; T123-V127 PolarHBondContact O-N 3.07Å
124	E	68.1	Low	63.8	Low	79 Å²	79	106.7 Å²	106.7	37%	0.369	62%	0.62	S	S	.	*	H	α-helix	trans	-63.2	-37.8	178.1	-66.2	153.5	-168.6	0	0	110.9	L120 R121 V127 L128	L120-E124 WeakPolarHBondContact CA-OE2 3.4Å; L120-E124 HydrophobicContact CB-CB 4.39Å; L120-E124 WeakPolarHBondContact CB-OE2 3.5Å; L120-E124 WeakPolarHBondContact CD2-OE2 3.29Å; R121-E124 HydrophobicContact CB-CG 4.44Å; R121-E124 PolarHBondContact N-OE2 3.02Å; R121-E124 WeakPolarHBondContact O-CB 3.44Å; R121-E124 PolarHBondContact O-N 2.89Å; R121-E124 VanDerWaalsContact O-N 3.1Å; E124-V127 PolarHBondContact O-N 3.5Å; E124-L128 PolarHBondContact O-N 2.7Å
125	K	68.4	Low	65.9	Low	110 Å²	110	105.7 Å²	105.7	48%	0.478	60%	0.604	S	S	.	*	H	α-helix	trans	-64.9	-41.2	174.5	-62.8	179.8	-178.2	175.5	0	112.3	L120 R121 L122 T123 L128 L129	L120-K125 HydrophobicContact CB-CG 4.4Å; L120-K125 VanDerWaalsContact O-CE 3.22Å; L120-K125 WeakPolarHBondContact O-CE 3.17Å; R121-K125 PolarHBondContact O-N 2.95Å; L122-K125 PolarHBondContact O-N 2.94Å; T123-K125 VanDerWaalsContact C-N 3.29Å; T123-K125 PolarHBondContact O-N 3.03Å; K125-L128 PolarHBondContact O-N 3.3Å; K125-L129 WeakPolarHBondContact O-CB 3.38Å; K125-L129 PolarHBondContact O-N 2.71Å
126	F	71.4	Confident	68.2	Low	130 Å²	130	104.8 Å²	104.8	57%	0.57	59%	0.589	S	S	*	*	H	α-helix	trans	-65	-39	175.8	-90.6	-76.3	0	0	0	112.8	L122 T123 L129 L130	L122-F126 HydrophobicContact CD2-CE2 4.49Å; L122-F126 HydrophobicContact CG-CD2 4.4Å; L122-F126 HydrophobicContact CG-CE2 4.27Å; L122-F126 WeakPolarHBondContact O-CD2 3.43Å; L122-F126 PolarHBondContact O-N 2.82Å; T123-F126 PolarHBondContact O-N 3.1Å; F126-L129 PolarHBondContact O-N 2.74Å; F126-L130 PolarHBondContact O-N 3.4Å
127	V	76.9	Confident	70.1	Confident	91 Å²	91	106.2 Å²	106.2	55%	0.552	59%	0.586	S	S	*	*	H	α-helix	trans	-63.9	-45.8	175.2	173.5	0	0	0	0	111	T123 E124 L129 L130 V131	T123-V127 PolarHBondContact O-N 3.07Å; E124-V127 PolarHBondContact O-N 3.5Å; V127-L129 VanDerWaalsContact C-N 3.32Å; V127-L129 PolarHBondContact O-N 3.13Å; V127-L130 PolarHBondContact O-N 3.31Å; V127-V131 WeakPolarHBondContact O-CG2 3.3Å; V127-V131 PolarHBondContact O-N 2.94Å
128	L	74.8	Confident	71.7	Confident	88 Å²	88	105.9 Å²	105.9	46%	0.461	58%	0.576	S	S	.	*	H	α-helix	trans	-59.6	-41.2	175	-81.7	163.7	0	0	0	112.4	L120 E124 K125 V131 F132	L120-L128 HydrophobicContact CD1-CD1 4.22Å; E124-L128 PolarHBondContact O-N 2.7Å; K125-L128 PolarHBondContact O-N 3.3Å; L128-V131 PolarHBondContact O-N 2.79Å; L128-F132 PolarHBondContact O-N 3.05Å
129	L	80.5	Confident	73	Confident	120 Å²	120	103.7 Å²	103.7	63%	0.628	55%	0.553	S	S	*	*	H	α-helix	trans	-66.2	-38.7	178.6	-137.5	167	0	0	0	111.8	K125 F126 V127 S133	K125-L129 WeakPolarHBondContact O-CB 3.38Å; K125-L129 PolarHBondContact O-N 2.71Å; F126-L129 PolarHBondContact O-N 2.74Å; V127-L129 VanDerWaalsContact C-N 3.32Å; V127-L129 PolarHBondContact O-N 3.13Å; L129-S133 VanDerWaalsContact O-CB 3.23Å; L129-S133 WeakPolarHBondContact O-CB 3.38Å; L129-S133 PolarHBondContact O-N 2.87Å
130	L	81.6	Confident	73.7	Confident	121 Å²	121	105.6 Å²	105.6	63%	0.634	55%	0.545	S	S	*	.	H	α-helix	trans	-65.7	-41.7	173.2	-79.9	167	0	0	0	112.6	F126 V127 S133 A134	F126-L130 PolarHBondContact O-N 3.4Å; V127-L130 PolarHBondContact O-N 3.31Å; L130-S133 PolarHBondContact O-N 3.02Å; L130-A134 WeakPolarHBondContact O-CB 3.36Å; L130-A134 PolarHBondContact O-N 3.44Å
131	V	81.5	Confident	73.5	Confident	90 Å²	90	102.7 Å²	102.7	55%	0.545	54%	0.539	S	S	.	.	H	α-helix	trans	-64.7	-44.6	176.8	171.5	0	0	0	0	111.3	V127 L128 A134 F135	V127-V131 WeakPolarHBondContact O-CG2 3.3Å; V127-V131 PolarHBondContact O-N 2.94Å; L128-V131 PolarHBondContact O-N 2.79Å; V131-A134 PolarHBondContact O-N 3.43Å; V131-F135 WeakPolarHBondContact O-CB 3.25Å; V131-F135 PolarHBondContact O-N 3.48Å
132	F	77.6	Confident	72.7	Confident	127 Å²	127	96.6 Å²	96.6	56%	0.557	53%	0.529	S	S	*	.	H	α-helix	trans	-64.3	-40.8	174.5	-95.6	-84.7	0	0	0	112.5	L128 F135 I136	L128-F132 PolarHBondContact O-N 3.05Å; F132-F135 PolarHBondContact O-N 3.26Å; F132-I136 WeakPolarHBondContact O-CB 3.5Å; F132-I136 VanDerWaalsContact O-CG1 3.26Å; F132-I136 WeakPolarHBondContact O-CG1 3.5Å; F132-I136 PolarHBondContact O-N 2.98Å
133	S	81.6	Confident	72.6	Confident	60 Å²	60	95.6 Å²	95.6	42%	0.42	52%	0.523	S	S	.	.	H	α-helix	trans	-59.9	-47.1	175.1	-178.8	0	0	0	0	111.9	L129 L130 I136 T137	L129-S133 VanDerWaalsContact O-CB 3.23Å; L129-S133 WeakPolarHBondContact O-CB 3.38Å; L129-S133 PolarHBondContact O-N 2.87Å; L130-S133 PolarHBondContact O-N 3.02Å; S133-I136 PolarHBondContact O-N 3.37Å; S133-T137 WeakPolarHBondContact O-CB 3.43Å; S133-T137 PolarHBondContact O-N 2.99Å; S133-T137 PolarHBondContact O-OG1 3.04Å
134	A	80.1	Confident	72.1	Confident	63 Å²	63	98.6 Å²	98.6	52%	0.521	53%	0.527	S	S	.	.	H	α-helix	trans	-62	-43.6	176.1	0	0	0	0	0	112	L130 V131 T137 L138	L130-A134 WeakPolarHBondContact O-CB 3.36Å; L130-A134 PolarHBondContact O-N 3.44Å; V131-A134 PolarHBondContact O-N 3.43Å; A134-T137 PolarHBondContact O-N 3.25Å; A134-L138 WeakPolarHBondContact O-CB 3.5Å; A134-L138 PolarHBondContact O-N 3.1Å
135	F	77.3	Confident	71.2	Confident	128 Å²	128	103.8 Å²	103.8	56%	0.561	55%	0.549	S	S	*	.	H	α-helix	trans	-63.8	-46.2	178.4	-171.4	-98	0	0	0	112.3	V131 F132 T137 L138 C139	V131-F135 WeakPolarHBondContact O-CB 3.25Å; V131-F135 PolarHBondContact O-N 3.48Å; F132-F135 PolarHBondContact O-N 3.26Å; F135-T137 VanDerWaalsContact C-N 3.33Å; F135-T137 PolarHBondContact O-N 2.84Å; F135-L138 WeakPolarHBondContact O-CB 2.97Å; F135-L138 PolarHBondContact O-N 3.21Å; F135-C139 PolarHBondContact O-N 2.98Å; F135-C139 PolarHBondContact O-SG 3.19Å
136	I	80.5	Confident	70.1	Confident	89 Å²	89	104.5 Å²	104.5	46%	0.456	56%	0.558	S	S	.	*	H	α-helix	trans	-59.9	-44.6	174.8	-69.4	166	0	0	0	110.4	F132 S133 L138 C139 F140	F132-I136 WeakPolarHBondContact O-CB 3.5Å; F132-I136 VanDerWaalsContact O-CG1 3.26Å; F132-I136 WeakPolarHBondContact O-CG1 3.5Å; F132-I136 PolarHBondContact O-N 2.98Å; S133-I136 PolarHBondContact O-N 3.37Å; I136-L138 VanDerWaalsContact C-N 3.33Å; I136-L138 PolarHBondContact O-N 3.38Å; I136-C139 PolarHBondContact O-N 2.89Å; I136-F140 HydrophobicContact CG2-CD2 3.82Å; I136-F140 HydrophobicContact CG2-CE2 4.07Å; I136-F140 WeakPolarHBondContact O-CD2 3.46Å; I136-F140 PolarHBondContact O-N 3.45Å
137	T	76.9	Confident	68.6	Low	93 Å²	93	104 Å²	104	57%	0.571	57%	0.567	S	S	*	*	H	α-helix	trans	-64	-38.2	179.5	-53	0	0	0	0	111.8	S133 A134 F135 G141	S133-T137 WeakPolarHBondContact O-CB 3.43Å; S133-T137 PolarHBondContact O-N 2.99Å; S133-T137 PolarHBondContact O-OG1 3.04Å; A134-T137 PolarHBondContact O-N 3.25Å; F135-T137 VanDerWaalsContact C-N 3.33Å; F135-T137 PolarHBondContact O-N 2.84Å; T137-G141 PolarHBondContact O-N 3.08Å
138	L	75.9	Confident	67.2	Low	129 Å²	129	106.4 Å²	106.4	68%	0.675	58%	0.577	S	S	*	*	H	α-helix	trans	-63.8	-46.8	173.6	-164.7	84.1	0	0	0	111.6	A134 F135 I136 G141 A142	A134-L138 WeakPolarHBondContact O-CB 3.5Å; A134-L138 PolarHBondContact O-N 3.1Å; F135-L138 WeakPolarHBondContact O-CB 2.97Å; F135-L138 PolarHBondContact O-N 3.21Å; I136-L138 VanDerWaalsContact C-N 3.33Å; I136-L138 PolarHBondContact O-N 3.38Å; L138-G141 PolarHBondContact O-N 2.84Å; L138-A142 PolarHBondContact O-N 3.17Å; L138-A142 VanDerWaalsContact O-N 3.12Å
139	C	69.1	Low	65.8	Low	58 Å²	58	105.6 Å²	105.6	39%	0.392	58%	0.579	S	S	.	*	H	α-helix	trans	-63	-41.3	178.7	-68.2	0	0	0	0	112.6	F135 I136	F135-C139 PolarHBondContact O-N 2.98Å; F135-C139 PolarHBondContact O-SG 3.19Å; I136-C139 PolarHBondContact O-N 2.89Å
140	F	66.3	Low	63.9	Low	128 Å²	128	104 Å²	104	56%	0.561	58%	0.578	S	S	*	*	H	α-helix	trans	-72.5	-35.3	175	-87.6	-86.5	0	0	0	112.7	I136 A142 I143	I136-F140 HydrophobicContact CG2-CD2 3.82Å; I136-F140 HydrophobicContact CG2-CE2 4.07Å; I136-F140 WeakPolarHBondContact O-CD2 3.46Å; I136-F140 PolarHBondContact O-N 3.45Å; F140-A142 VanDerWaalsContact C-N 3.3Å; F140-A142 PolarHBondContact O-N 2.8Å; F140-I143 HydrophobicContact CD1-CD1 4.48Å; F140-I143 WeakPolarHBondContact O-CB 3.17Å; F140-I143 PolarHBondContact O-N 2.99Å; F140-I143 VanDerWaalsContact O-N 3.15Å
141	G	57.3	Low	62.1	Low	35 Å²	35	107 Å²	107	36%	0.361	59%	0.585	S	S	.	*	H	α-helix	trans	-59.4	-39.8	174.9	0	0	0	0	0	112.8	T137 L138 I143 F144 F145	T137-G141 PolarHBondContact O-N 3.08Å; L138-G141 PolarHBondContact O-N 2.84Å; G141-I143 PolarHBondContact O-N 3.31Å; G141-F144 PolarHBondContact O-N 3.25Å; G141-F145 PolarHBondContact O-N 3.27Å
142	A	57	Low	60.3	Low	60 Å²	60	110 Å²	110	50%	0.496	60%	0.598	S	S	.	*	H	α-helix	trans	-63	-24.8	176.9	0	0	0	0	0	114	L138 F140	L138-A142 PolarHBondContact O-N 3.17Å; L138-A142 VanDerWaalsContact O-N 3.12Å; F140-A142 VanDerWaalsContact C-N 3.3Å; F140-A142 PolarHBondContact O-N 2.8Å
143	I	59.2	Low	58.4	Low	105 Å²	105	111 Å²	111	54%	0.538	61%	0.608	S	S	.	*	H	α-helix	trans	-76.9	-27.6	179.3	-63.4	170.6	0	0	0	111.7	F140 G141	F140-I143 HydrophobicContact CD1-CD1 4.48Å; F140-I143 WeakPolarHBondContact O-CB 3.17Å; F140-I143 PolarHBondContact O-N 2.99Å; F140-I143 VanDerWaalsContact O-N 3.15Å; G141-I143 PolarHBondContact O-N 3.31Å
144	F	52	Low	56.3	Low	166 Å²	166	112.8 Å²	112.8	73%	0.728	62%	0.621	S	S	*	*	H	α-helix	trans	-103.4	-12.3	-173.9	-79.2	-85.6	0	0	0	115.3	G141	G141-F144 PolarHBondContact O-N 3.25Å
145	F	48.6	Very low	54.2	Low	189 Å²	189	113.4 Å²	113.4	83%	0.829	63%	0.633	S	S	*	*	S	Bend	trans	-110	10.8	-176.3	-93.9	-84.9	0	0	0	115.8	G141	G141-F145 PolarHBondContact O-N 3.27Å
146	L	45.7	Very low	52.7	Low	125 Å²	125	112.9 Å²	112.9	65%	0.654	64%	0.64	S	S	*	*	S	Bend	trans	-97.7	121.1	164.9	-71.1	173	0	0	0	110.1
147	P	40	Very low	50.5	Low	118 Å²	118	115 Å²	115	77%	0.766	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	159.5	168.4	28.5	-32.8	0	0	0	111.3
148	D	47.8	Very low	48.4	Very low	143 Å²	143	120.2 Å²	120.2	77%	0.765	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.9	24.4	178.9	-72.8	-7.7	0	0	0	118.4	S150	D148-S150 PolarHBondContact O-N 2.88Å
149	S	45.7	Very low	46.8	Very low	70 Å²	70	123.7 Å²	123.7	49%	0.49	68%	0.679	S	S	.	*	G	3₁₀ helix	trans	-72.8	-10.2	166.1	58.5	0	0	0	0	114.8	K151 L152	S149-K151 VanDerWaalsContact C-N 3.27Å; S149-K151 PolarHBondContact O-N 2.6Å; S149-L152 PolarHBondContact O-N 3.44Å
150	S	40.9	Very low	44.9	Very low	88 Å²	88	126.1 Å²	126.1	62%	0.615	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-66.3	-17.9	-171.2	58.3	0	0	0	0	115.7	D148	D148-S150 PolarHBondContact O-N 2.88Å
151	K	43.4	Very low	43.7	Very low	182 Å²	182	126 Å²	126	79%	0.791	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-86.1	-10	-180	-68.4	-178.9	-179	171.1	0	114.7	S149	S149-K151 VanDerWaalsContact C-N 3.27Å; S149-K151 PolarHBondContact O-N 2.6Å
152	L	42.9	Very low	42.5	Very low	153 Å²	153	130.1 Å²	130.1	80%	0.801	73%	0.732	S	S	*	*	S	Bend	trans	-99.5	-11.2	-171	-137.5	142.5	0	0	0	113.7	S149	S149-L152 PolarHBondContact O-N 3.44Å
153	L	38.5	Very low	41.1	Very low	148 Å²	148	131.8 Å²	131.8	78%	0.775	75%	0.746	S	S	*	*	S	Bend	trans	-103.3	-17.6	-176	-91.3	160.5	0	0	0	115.3
154	S	36.5	Very low	39.8	Very low	99 Å²	99	135 Å²	135	69%	0.692	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-4.6	179.6	65	0	0	0	0	114.7
155	G	37.1	Very low	38.6	Very low	75 Å²	75	135.7 Å²	135.7	77%	0.773	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-6.1	-177.1	0	0	0	0	0	115.8
156	V	44.4	Very low	37.9	Very low	117 Å²	117	132.5 Å²	132.5	71%	0.709	77%	0.767	S	S	*	*	S	Bend	trans	-108.4	-19.4	-165.8	-177.9	0	0	0	0	113.6
157	L	36.2	Very low	37.1	Very low	133 Å²	133	131.6 Å²	131.6	70%	0.696	78%	0.778	S	S	*	*	S	Bend	trans	-138.6	126	-175.9	-68.4	172.7	0	0	0	112.2
158	F	31.2	Very low	36.6	Very low	204 Å²	204	130.2 Å²	130.2	90%	0.895	78%	0.776	S	S	*	*			trans	73.8	123.1	174.7	-55	-76.6	0	0	0	118
159	H	42	Very low	35.8	Very low	201 Å²	201	130 Å²	130	93%	0.931	78%	0.775	S	S	*	*			trans	-90.7	131.2	169	-100.8	-40.3	0	0	0	111.2
160	S	29.4	Very low	35	Very low	110 Å²	110	135.7 Å²	135.7	77%	0.769	79%	0.794	S	S	*	*			trans	-161.2	135	150.8	47.6	0	0	0	0	110.7
161	S	40.8	Very low	34.5	Very low	125 Å²	125	140.9 Å²	140.9	87%	0.874	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-86.2	130.8	-177.5	-52.1	0	0	0	0	112
162	P	33	Very low	33.9	Very low	121 Å²	121	138 Å²	138	79%	0.786	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-99.5	149.6	165	31.3	-21.5	0	0	0	112.4
163	A	27.9	Very low	33	Very low	95 Å²	95	133.9 Å²	133.9	79%	0.785	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-63.6	149.8	-170.5	0	0	0	0	0	116.1
164	L	31.1	Very low	33	Very low	174 Å²	174	133.3 Å²	133.3	91%	0.911	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-82	132.5	156.1	-99.3	76.2	0	0	0	110.7
165	Q	26.7	Very low	32.5	Very low	179 Å²	179	132.2 Å²	132.2	84%	0.836	81%	0.809	S	S	*	*			trans	-151.4	154.7	156.2	-68.3	-166.1	-6.7	0	0	108.7
166	P	35.7	Very low	32	Very low	123 Å²	123	133.4 Å²	133.4	80%	0.799	81%	0.811	S	S	*	*				-129.4	147.7	-54.6	34.7	-20.3	0	0	0	111.9
167	A	28.4	Very low	31.2	Very low	106 Å²	106	138.9 Å²	138.9	88%	0.876	82%	0.819	S	S	*	*			trans	-103.7	144	161	0	0	0	0	0	108.9
168	A	29.3	Very low	30.8	Very low	89 Å²	89	137.1 Å²	137.1	74%	0.736	82%	0.824	S	S	*	*			trans	-91	159.9	-166.3	0	0	0	0	0	114.4
169	D	29.7	Very low	30.7	Very low	138 Å²	138	135 Å²	135	74%	0.738	82%	0.817	S	S	*	*			trans	52.8	100.5	155.6	-58.3	-35.3	0	0	0	119.6
170	H	30.4	Very low	29.9	Very low	190 Å²	190	132.9 Å²	132.9	88%	0.88	81%	0.812	S	S	*	*				-163.5	162.9	86.3	-90.2	-57.8	0	0	0	113.2
171	K	28.9	Very low	29.9	Very low	196 Å²	196	132.3 Å²	132.3	85%	0.852	82%	0.815	S	S	*	*			trans	-106.9	166.1	174.1	-87.5	-180	178.4	175.2	0	109.2
172	P	32.3	Very low	29.3	Very low	122 Å²	122	130.5 Å²	130.5	79%	0.792	81%	0.807	S	S	*	*			cis	-136.4	-178.5	21.9	42.3	-24.6	0	0	0	116.6
173	G	22.8	Very low	29.1	Very low	66 Å²	66	134.4 Å²	134.4	68%	0.68	82%	0.815	S	S	*	*			trans	-102.6	-150.2	159.2	0	0	0	0	0	111.3
174	P	39	Very low	29.1	Very low	136 Å²	136	133.2 Å²	133.2	88%	0.883	81%	0.812	S	S	*	*			cis	-140.5	175.9	5.5	43.2	-25.8	0	0	0	117.1
175	G	27.3	Very low	29.2	Very low	77 Å²	77	137.2 Å²	137.2	79%	0.794	82%	0.815	S	S	*	*			trans	99.1	168.1	157.8	0	0	0	0	0	117.1
176	A	26.1	Very low	29.2	Very low	99 Å²	99	133.4 Å²	133.4	82%	0.818	81%	0.814	S	S	*	*			cis	-167.8	138.1	-23.4	0	0	0	0	0	111.6
177	R	26.4	Very low	29.3	Very low	232 Å²	232	139.5 Å²	139.5	88%	0.875	82%	0.822	S	S	*	*			trans	25.1	120.6	160.1	-75.2	-178.5	167	166.2	-7	122.3
178	A	28.2	Very low	29.2	Very low	96 Å²	96	146 Å²	146	79%	0.793	82%	0.823	S	S	*	*				-155.5	141.9	122.5	0	0	0	0	0	106.5
179	E	28.6	Very low	29.7	Very low	160 Å²	160	153.5 Å²	153.5	75%	0.748	83%	0.832	S	S	*	*			cis	75.4	94.3	33.3	-77.4	175.3	-154.7	0	0	115.6
180	D	26.8	Very low	29.7	Very low	156 Å²	156	155.9 Å²	155.9	83%	0.834	84%	0.839	S	S	*	*			trans	60.7	113.1	138	-66.1	7.3	0	0	0	124.4
181	A	29.3	Very low	30.2	Very low	99 Å²	99	156.5 Å²	156.5	82%	0.818	84%	0.842	S	S	*	*				89.8	156.7	119.6	0	0	0	0	0	123.2
182	A	28.3	Very low	30.2	Very low	87 Å²	87	150.7 Å²	150.7	72%	0.719	84%	0.839	S	S	*	*			trans	82.7	109.3	155.5	0	0	0	0	0	122.2
183	E	29.1	Very low	30.3	Very low	202 Å²	202	149.4 Å²	149.4	94%	0.944	84%	0.838	S	S	*	*			trans	62	179.5	135.8	-55.3	-167.3	135.1	0	0	120.7
184	G	26.8	Very low	31.1	Very low	71 Å²	71	152.4 Å²	152.4	73%	0.732	85%	0.845	S	S	*	*			trans	126.8	4.6	154.7	0	0	0	0	0	121.5	A186	G184-A186 PolarHBondContact O-N 3.3Å
185	R	33.2	Very low	31.3	Very low	258 Å²	258	149.1 Å²	149.1	97%	0.974	84%	0.837	S	S	*	*			trans	-5.5	103.1	168	-173.8	-158.3	-157	-173.6	9.2	117.7
186	A	27.9	Very low	32.6	Very low	99 Å²	99	150 Å²	150	82%	0.818	82%	0.823	S	S	*	*			trans	-147.4	138.9	162	0	0	0	0	0	113	G184	G184-A186 PolarHBondContact O-N 3.3Å
187	R	36.4	Very low	34	Very low	251 Å²	251	150.4 Å²	150.4	95%	0.947	82%	0.818	S	S	*	*			trans	-101.1	131.9	168.1	-86.1	-176.9	170.7	176.9	-3.2	109.8
188	R	27.3	Very low	35.5	Very low	243 Å²	243	146.3 Å²	146.3	92%	0.917	81%	0.808	S	S	*	*			trans	-134.2	149.9	146.6	-77.5	-166	173.2	-153.1	-1.3	109.2
189	R	39.2	Very low	36.8	Very low	245 Å²	245	144.4 Å²	144.4	93%	0.925	79%	0.793	S	S	*	*			trans	-88.4	140.2	162.3	-81.8	178.2	165	-176.3	-6.4	107.6
190	E	29.7	Very low	38.2	Very low	189 Å²	189	139.1 Å²	139.1	88%	0.883	78%	0.776	S	S	*	*			trans	-132.8	157.1	147.6	-69.2	-169.7	149.4	0	0	107.8
191	E	41.7	Very low	39.9	Very low	202 Å²	202	136.5 Å²	136.5	94%	0.944	76%	0.762	S	S	*	*			trans	-100.6	139.1	-178.2	-60.6	170.7	137.7	0	0	108.7
192	G	28.5	Very low	41.8	Very low	75 Å²	75	138.7 Å²	138.7	77%	0.773	76%	0.755	S	S	*	*			trans	178.4	135	176.2	0	0	0	0	0	117.1
193	A	34.2	Very low	43.8	Very low	94 Å²	94	138.6 Å²	138.6	78%	0.777	74%	0.742	S	S	*	*			trans	63.7	152.4	158.5	0	0	0	0	0	118.9	G195	A193-G195 PolarHBondContact O-N 2.95Å
194	P	39.7	Very low	45.3	Very low	129 Å²	129	132.7 Å²	132.7	84%	0.838	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-66.2	127.2	164.2	29.1	-33.4	0	0	0	109.2
195	G	43.2	Very low	47.5	Very low	68 Å²	68	134 Å²	134	70%	0.701	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-62.4	139.6	175.3	0	0	0	0	0	111.4	A193	A193-G195 PolarHBondContact O-N 2.95Å
196	D	54.4	Low	49.5	Very low	96 Å²	96	124.5 Å²	124.5	51%	0.513	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-56.9	123.1	175.3	-173.7	-26.2	0	0	0	109.9	E198 A199 A200	D196-E198 PolarHBondContact O-N 2.85Å; D196-E198 WeakPolarHBondContact OD1-CB 3.32Å; D196-E198 PolarHBondContact OD1-N 3.02Å; D196-A199 HydrophobicContact CB-CB 3.99Å; D196-A199 PolarHBondContact O-N 2.97Å; D196-A200 PolarHBondContact O-N 3.24Å
197	P	55.4	Low	51.6	Low	107 Å²	107	125.6 Å²	125.6	70%	0.695	67%	0.667	S	S	*	*	H	α-helix	trans	-63.2	-23.7	-179.7	26.9	-35.5	0	0	0	113	L201	P197-L201 WeakPolarHBondContact O-CB 3.43Å; P197-L201 PolarHBondContact O-N 2.66Å
198	E	56.4	Low	53.2	Low	145 Å²	145	118.7 Å²	118.7	68%	0.678	65%	0.648	S	S	*	*	H	α-helix	trans	-74.7	-42.4	175.8	-162.3	153.9	-137.3	0	0	110.5	D196 A200 L201 E202	D196-E198 PolarHBondContact O-N 2.85Å; D196-E198 WeakPolarHBondContact OD1-CB 3.32Å; D196-E198 PolarHBondContact OD1-N 3.02Å; E198-A200 PolarHBondContact O-N 3.09Å; E198-L201 WeakPolarHBondContact O-CB 3.31Å; E198-L201 PolarHBondContact O-N 2.83Å; E198-E202 PolarHBondContact O-N 2.8Å
199	A	57.2	Low	55.4	Low	57 Å²	57	115.5 Å²	115.5	47%	0.471	64%	0.635	S	S	.	*	H	α-helix	trans	-66.4	-35.9	172	0	0	0	0	0	112.9	D196 L201 E202 D203	D196-A199 HydrophobicContact CB-CB 3.99Å; D196-A199 PolarHBondContact O-N 2.97Å; A199-L201 VanDerWaalsContact C-N 3.32Å; A199-E202 PolarHBondContact O-N 3.08Å; A199-D203 PolarHBondContact O-N 2.96Å
200	A	57.9	Low	57.4	Low	49 Å²	49	108 Å²	108	41%	0.405	61%	0.611	S	S	.	*	H	α-helix	trans	-68	-32.4	173.3	0	0	0	0	0	112.1	D196 E198 N204	D196-A200 PolarHBondContact O-N 3.24Å; E198-A200 PolarHBondContact O-N 3.09Å; A200-N204 PolarHBondContact O-N 3.45Å; A200-N204 PolarHBondContact O-ND2 3.19Å
201	L	61.5	Low	59.2	Low	101 Å²	101	103.1 Å²	103.1	53%	0.529	59%	0.591	S	S	.	*	H	α-helix	trans	-69.6	-41	171.7	-178.9	60.8	0	0	0	111.1	P197 E198 A199 N204 L205	P197-L201 WeakPolarHBondContact O-CB 3.43Å; P197-L201 PolarHBondContact O-N 2.66Å; E198-L201 WeakPolarHBondContact O-CB 3.31Å; E198-L201 PolarHBondContact O-N 2.83Å; A199-L201 VanDerWaalsContact C-N 3.32Å; L201-N204 PolarHBondContact O-N 3.14Å; L201-L205 HydrophobicContact CD1-CD1 4.23Å; L201-L205 HydrophobicContact CD1-CG 4.3Å; L201-L205 HydrophobicContact CG-CD1 3.98Å; L201-L205 HydrophobicContact CG-CG 4.48Å; L201-L205 WeakPolarHBondContact O-CB 3.29Å; L201-L205 VanDerWaalsContact O-CG 3.28Å; L201-L205 WeakPolarHBondContact O-CG 3.49Å; L201-L205 PolarHBondContact O-N 3.31Å
202	E	68.6	Low	60.8	Low	144 Å²	144	99.3 Å²	99.3	67%	0.673	57%	0.573	S	S	*	*	H	α-helix	trans	-63.4	-42.7	174.4	-72.6	-151.3	131.2	0	0	113.1	E198 A199 N204 L205 A206	E198-E202 PolarHBondContact O-N 2.8Å; A199-E202 PolarHBondContact O-N 3.08Å; E202-N204 VanDerWaalsContact C-N 3.35Å; E202-N204 PolarHBondContact O-N 2.89Å; E202-L205 PolarHBondContact O-N 2.8Å; E202-A206 VanDerWaalsContact O-CB 3.27Å; E202-A206 WeakPolarHBondContact O-CB 3.27Å; E202-A206 PolarHBondContact O-N 3.18Å
203	D	71.5	Confident	63	Low	85 Å²	85	100.2 Å²	100.2	46%	0.455	56%	0.557	S	S	.	*	H	α-helix	trans	-60.5	-43.4	174.4	179.6	73.7	0	0	0	111.7	A199 A206 R207	A199-D203 PolarHBondContact O-N 2.96Å; D203-A206 PolarHBondContact O-N 3.26Å; D203-R207 WeakPolarHBondContact O-CB 3.44Å; D203-R207 VanDerWaalsContact O-CG 3.31Å; D203-R207 WeakPolarHBondContact O-CG 3.31Å; D203-R207 PolarHBondContact O-N 3.17Å; D203-R207 WeakPolarHBondContact OD2-CD 3.43Å; D203-R207 IonicContact OD2-NH1 2.77Å
204	N	61.4	Low	65	Low	79 Å²	79	100.9 Å²	100.9	42%	0.422	54%	0.539	S	S	.	.	H	α-helix	trans	-64.4	-42.7	176	-81.8	-74.6	0	0	0	111.9	A200 L201 E202 R207 I208	A200-N204 PolarHBondContact O-N 3.45Å; A200-N204 PolarHBondContact O-ND2 3.19Å; L201-N204 PolarHBondContact O-N 3.14Å; E202-N204 VanDerWaalsContact C-N 3.35Å; E202-N204 PolarHBondContact O-N 2.89Å; N204-R207 PolarHBondContact O-N 3.1Å; N204-I208 WeakPolarHBondContact O-CB 3.43Å; N204-I208 WeakPolarHBondContact O-CD1 3.43Å; N204-I208 WeakPolarHBondContact O-CG1 3.41Å; N204-I208 PolarHBondContact O-N 3.42Å
205	L	72.6	Confident	66.4	Low	98 Å²	98	97.2 Å²	97.2	51%	0.513	52%	0.52	S	S	.	.	H	α-helix	trans	-66.1	-37	175.9	-72.6	170.7	0	0	0	112.3	L201 E202 R209	L201-L205 HydrophobicContact CD1-CD1 4.23Å; L201-L205 HydrophobicContact CD1-CG 4.3Å; L201-L205 HydrophobicContact CG-CD1 3.98Å; L201-L205 HydrophobicContact CG-CG 4.48Å; L201-L205 WeakPolarHBondContact O-CB 3.29Å; L201-L205 VanDerWaalsContact O-CG 3.28Å; L201-L205 WeakPolarHBondContact O-CG 3.49Å; L201-L205 PolarHBondContact O-N 3.31Å; E202-L205 PolarHBondContact O-N 2.8Å; L205-R209 WeakPolarHBondContact O-CB 3.46Å; L205-R209 PolarHBondContact O-N 3.21Å
206	A	74.4	Confident	67.6	Low	58 Å²	58	98.6 Å²	98.6	48%	0.479	51%	0.511	S	S	.	.	H	α-helix	trans	-64.7	-46.2	174.1	0	0	0	0	0	111.3	E202 D203 R209 E210	E202-A206 VanDerWaalsContact O-CB 3.27Å; E202-A206 WeakPolarHBondContact O-CB 3.27Å; E202-A206 PolarHBondContact O-N 3.18Å; D203-A206 PolarHBondContact O-N 3.26Å; A206-R209 PolarHBondContact O-N 3.01Å; A206-E210 WeakPolarHBondContact O-CB 3.46Å; A206-E210 PolarHBondContact O-N 2.84Å
207	R	71.6	Confident	68.4	Low	122 Å²	122	100 Å²	100	46%	0.46	51%	0.508	S	S	.	.	H	α-helix	trans	-66	-37.6	175.7	-72.6	169.6	60.3	-159	-7.5	112.7	D203 N204 E210 N211	D203-R207 WeakPolarHBondContact O-CB 3.44Å; D203-R207 VanDerWaalsContact O-CG 3.31Å; D203-R207 WeakPolarHBondContact O-CG 3.31Å; D203-R207 PolarHBondContact O-N 3.17Å; D203-R207 WeakPolarHBondContact OD2-CD 3.43Å; D203-R207 IonicContact OD2-NH1 2.77Å; N204-R207 PolarHBondContact O-N 3.1Å; R207-E210 PolarHBondContact O-N 2.89Å; R207-N211 VanDerWaalsContact O-CB 3.29Å; R207-N211 WeakPolarHBondContact O-CB 3.25Å; R207-N211 VanDerWaalsContact O-CG 3.27Å; R207-N211 PolarHBondContact O-N 3.1Å; R207-N211 PolarHBondContact O-ND2 2.68Å
208	I	69.7	Low	69.2	Low	107 Å²	107	99.9 Å²	99.9	55%	0.549	50%	0.499	S	S	.	.	H	α-helix	trans	-62.9	-45	172.3	-72.7	163.6	0	0	0	110.2	N204 H212	N204-I208 WeakPolarHBondContact O-CB 3.43Å; N204-I208 WeakPolarHBondContact O-CD1 3.43Å; N204-I208 WeakPolarHBondContact O-CG1 3.41Å; N204-I208 PolarHBondContact O-N 3.42Å; I208-H212 VanDerWaalsContact O-CB 3.32Å; I208-H212 WeakPolarHBondContact O-CB 3.48Å; I208-H212 PolarHBondContact O-N 3.09Å
209	R	75.1	Confident	69.8	Low	175 Å²	175	95.3 Å²	95.3	66%	0.66	49%	0.486	S	S	*	.	H	α-helix	trans	-63.1	-45.3	175.2	-179.9	176.3	-74.3	168.9	-2.1	111.7	L205 A206 N211 H212 E213	L205-R209 WeakPolarHBondContact O-CB 3.46Å; L205-R209 PolarHBondContact O-N 3.21Å; A206-R209 PolarHBondContact O-N 3.01Å; R209-N211 PolarHBondContact O-N 2.71Å; R209-H212 PolarHBondContact O-N 3.4Å; R209-E213 HydrophobicContact CG-CG 4.37Å; R209-E213 VanDerWaalsContact CG-OE1 3.31Å; R209-E213 WeakPolarHBondContact CG-OE1 3.49Å; R209-E213 WeakPolarHBondContact O-CB 3.06Å; R209-E213 WeakPolarHBondContact O-CG 3.44Å; R209-E213 PolarHBondContact O-N 2.79Å
210	E	80.9	Confident	70.3	Confident	89 Å²	89	98.5 Å²	98.5	42%	0.416	49%	0.489	S	S	.	.	H	α-helix	trans	-63.2	-43	179.7	-158.4	-134.8	127.3	0	0	111.7	A206 R207 E213 R214	A206-E210 WeakPolarHBondContact O-CB 3.46Å; A206-E210 PolarHBondContact O-N 2.84Å; R207-E210 PolarHBondContact O-N 2.89Å; E210-E213 PolarHBondContact O-N 2.67Å; E210-R214 VanDerWaalsContact O-CB 3.3Å; E210-R214 WeakPolarHBondContact O-CB 3.35Å; E210-R214 PolarHBondContact O-N 2.6Å; E210-R214 IonicContact OE1-CZ 3Å; E210-R214 IonicContact OE1-NE 2.82Å; E210-R214 IonicContact OE1-NH2 3.82Å; E210-R214 PolarHBondContact OE1-NH2 3.07Å; E210-R214 IonicContact OE2-NH2 3.2Å
211	N	67.8	Low	70.7	Confident	86 Å²	86	102 Å²	102	46%	0.46	50%	0.497	S	S	.	.	H	α-helix	trans	-63.9	-39.5	174	-76.2	-22.3	0	0	0	112	R207 R209 R214 A215	R207-N211 VanDerWaalsContact O-CB 3.29Å; R207-N211 WeakPolarHBondContact O-CB 3.25Å; R207-N211 VanDerWaalsContact O-CG 3.27Å; R207-N211 PolarHBondContact O-N 3.1Å; R207-N211 PolarHBondContact O-ND2 2.68Å; R209-N211 PolarHBondContact O-N 2.71Å; N211-R214 PolarHBondContact O-N 2.69Å; N211-A215 WeakPolarHBondContact O-CB 3.48Å; N211-A215 PolarHBondContact O-N 3.07Å
212	H	74	Confident	70.6	Confident	121 Å²	121	101.1 Å²	101.1	56%	0.56	50%	0.496	S	S	*	.	H	α-helix	trans	-67.5	-41.5	175.8	-167.4	73.5	0	0	0	111.8	I208 R209 R214 A215 L216	I208-H212 VanDerWaalsContact O-CB 3.32Å; I208-H212 WeakPolarHBondContact O-CB 3.48Å; I208-H212 PolarHBondContact O-N 3.09Å; R209-H212 PolarHBondContact O-N 3.4Å; H212-R214 VanDerWaalsContact C-N 3.29Å; H212-R214 PolarHBondContact O-N 3.08Å; H212-A215 PolarHBondContact O-N 3.36Å; H212-L216 WeakPolarHBondContact O-CB 3.39Å; H212-L216 VanDerWaalsContact O-CG 3.3Å; H212-L216 WeakPolarHBondContact O-CG 3.29Å; H212-L216 PolarHBondContact O-N 2.97Å
213	E	75.6	Confident	70.1	Confident	94 Å²	94	101.5 Å²	101.5	44%	0.439	50%	0.502	S	S	.	.	H	α-helix	trans	-67.6	-27.6	172.8	-74.2	178.4	-160.7	0	0	112.7	R209 E210 R217	R209-E213 HydrophobicContact CG-CG 4.37Å; R209-E213 VanDerWaalsContact CG-OE1 3.31Å; R209-E213 WeakPolarHBondContact CG-OE1 3.49Å; R209-E213 WeakPolarHBondContact O-CB 3.06Å; R209-E213 WeakPolarHBondContact O-CG 3.44Å; R209-E213 PolarHBondContact O-N 2.79Å; E210-E213 PolarHBondContact O-N 2.67Å; E213-R217 WeakPolarHBondContact O-CB 3.4Å; E213-R217 WeakPolarHBondContact O-CG 3.41Å; E213-R217 PolarHBondContact O-N 3.28Å; E213-R217 PolarHBondContact O-NE 2.81Å
214	R	76	Confident	69.6	Low	109 Å²	109	103.5 Å²	103.5	41%	0.411	51%	0.509	S	S	.	.	H	α-helix	trans	-71.8	-50.3	172.4	-164.9	-174.9	-60.3	175.8	2.6	110.7	E210 N211 H212 L216 R217 E218	E210-R214 VanDerWaalsContact O-CB 3.3Å; E210-R214 WeakPolarHBondContact O-CB 3.35Å; E210-R214 PolarHBondContact O-N 2.6Å; E210-R214 IonicContact OE1-CZ 3Å; E210-R214 IonicContact OE1-NE 2.82Å; E210-R214 IonicContact OE1-NH2 3.82Å; E210-R214 PolarHBondContact OE1-NH2 3.07Å; E210-R214 IonicContact OE2-NH2 3.2Å; N211-R214 PolarHBondContact O-N 2.69Å; H212-R214 VanDerWaalsContact C-N 3.29Å; H212-R214 PolarHBondContact O-N 3.08Å; R214-L216 VanDerWaalsContact C-N 3.29Å; R214-L216 PolarHBondContact O-N 3.26Å; R214-R217 CarbonylContact O-C 3.56Å; R214-R217 WeakPolarHBondContact O-CA 3.41Å; R214-R217 WeakPolarHBondContact O-CB 3.35Å; R214-R217 PolarHBondContact O-N 2.97Å; R214-E218 WeakPolarHBondContact CG-OE1 3.5Å; R214-E218 WeakPolarHBondContact O-CG 3.36Å; R214-E218 PolarHBondContact O-N 3.22Å
215	A	68.4	Low	69.8	Low	51 Å²	51	103.6 Å²	103.6	42%	0.421	51%	0.505	S	S	.	.	H	α-helix	trans	-59.7	-37.7	174.1	0	0	0	0	0	112.4	N211 H212 A219	N211-A215 WeakPolarHBondContact O-CB 3.48Å; N211-A215 PolarHBondContact O-N 3.07Å; H212-A215 PolarHBondContact O-N 3.36Å; A215-A219 WeakPolarHBondContact O-CB 3.27Å; A215-A219 PolarHBondContact O-N 3.3Å
216	L	68.4	Low	69.8	Low	98 Å²	98	104.1 Å²	104.1	51%	0.513	51%	0.508	S	S	.	.	H	α-helix	trans	-66.6	-34.5	172.6	-79.3	168	0	0	0	112.8	H212 R214 K220	H212-L216 WeakPolarHBondContact O-CB 3.39Å; H212-L216 VanDerWaalsContact O-CG 3.3Å; H212-L216 WeakPolarHBondContact O-CG 3.29Å; H212-L216 PolarHBondContact O-N 2.97Å; R214-L216 VanDerWaalsContact C-N 3.29Å; R214-L216 PolarHBondContact O-N 3.26Å; L216-K220 WeakPolarHBondContact O-CB 3.39Å; L216-K220 PolarHBondContact O-N 3.47Å
217	R	72.1	Confident	69.6	Low	124 Å²	124	106.3 Å²	106.3	47%	0.468	52%	0.517	S	S	.	.	H	α-helix	trans	-69.1	-48.5	172.5	-82.2	172.5	-76.3	-178.7	-2.2	111.4	E213 R214 A219 K220 E221	E213-R217 WeakPolarHBondContact O-CB 3.4Å; E213-R217 WeakPolarHBondContact O-CG 3.41Å; E213-R217 PolarHBondContact O-N 3.28Å; E213-R217 PolarHBondContact O-NE 2.81Å; R214-R217 CarbonylContact O-C 3.56Å; R214-R217 WeakPolarHBondContact O-CA 3.41Å; R214-R217 WeakPolarHBondContact O-CB 3.35Å; R214-R217 PolarHBondContact O-N 2.97Å; R217-A219 VanDerWaalsContact C-N 3.34Å; R217-A219 PolarHBondContact O-N 2.93Å; R217-K220 CarbonylContact O-C 3.58Å; R217-K220 PolarHBondContact O-N 3.36Å; R217-K220 VanDerWaalsContact O-N 3.12Å; R217-E221 WeakPolarHBondContact O-CB 3.45Å; R217-E221 WeakPolarHBondContact O-CG 3.36Å; R217-E221 PolarHBondContact O-N 3.11Å
218	E	73.2	Confident	69.6	Low	105 Å²	105	106.5 Å²	106.5	49%	0.491	52%	0.523	S	S	.	.	H	α-helix	trans	-60.2	-42	177	-68.8	165.8	-171.7	0	0	111.6	R214 T222	R214-E218 WeakPolarHBondContact CG-OE1 3.5Å; R214-E218 WeakPolarHBondContact O-CG 3.36Å; R214-E218 PolarHBondContact O-N 3.22Å; E218-T222 VanDerWaalsContact O-CB 3.31Å; E218-T222 WeakPolarHBondContact O-CB 3.46Å; E218-T222 PolarHBondContact O-N 3.09Å; E218-T222 PolarHBondContact O-OG1 3.08Å
219	A	67	Low	69.8	Low	49 Å²	49	105.1 Å²	105.1	41%	0.405	52%	0.515	S	S	.	.	H	α-helix	trans	-66.6	-38.6	174.2	0	0	0	0	0	112.3	A215 R217 T222 L223	A215-A219 WeakPolarHBondContact O-CB 3.27Å; A215-A219 PolarHBondContact O-N 3.3Å; R217-A219 VanDerWaalsContact C-N 3.34Å; R217-A219 PolarHBondContact O-N 2.93Å; A219-T222 PolarHBondContact O-N 3.23Å; A219-L223 WeakPolarHBondContact O-CB 2.99Å; A219-L223 WeakPolarHBondContact O-CG 3.21Å; A219-L223 PolarHBondContact O-N 2.82Å
220	K	68.4	Low	69.5	Low	124 Å²	124	100.1 Å²	100.1	54%	0.539	50%	0.5	S	S	.	.	H	α-helix	trans	-68.9	-42.1	176.4	-179.1	179.2	176.5	-176.5	0	112.2	L216 R217 T222 L223 Q224	L216-K220 WeakPolarHBondContact O-CB 3.39Å; L216-K220 PolarHBondContact O-N 3.47Å; R217-K220 CarbonylContact O-C 3.58Å; R217-K220 PolarHBondContact O-N 3.36Å; R217-K220 VanDerWaalsContact O-N 3.12Å; K220-T222 VanDerWaalsContact C-N 3.34Å; K220-L223 CarbonylContact O-C 3.5Å; K220-L223 PolarHBondContact O-N 3.05Å; K220-Q224 HydrophobicContact CG-CG 4.48Å; K220-Q224 WeakPolarHBondContact O-CB 3.33Å; K220-Q224 VanDerWaalsContact O-CG 3.26Å; K220-Q224 WeakPolarHBondContact O-CG 3.26Å; K220-Q224 PolarHBondContact O-N 2.83Å
221	E	67.5	Low	68.9	Low	122 Å²	122	101.8 Å²	101.8	57%	0.57	51%	0.508	S	S	*	.	H	α-helix	trans	-62.4	-43.2	172.9	-74	172.6	-170.8	0	0	110.4	R217 L223 Q224 K225	R217-E221 WeakPolarHBondContact O-CB 3.45Å; R217-E221 WeakPolarHBondContact O-CG 3.36Å; R217-E221 PolarHBondContact O-N 3.11Å; E221-L223 VanDerWaalsContact C-N 3.29Å; E221-L223 PolarHBondContact O-N 3.43Å; E221-Q224 CarbonylContact O-C 3.58Å; E221-Q224 PolarHBondContact O-N 3.5Å; E221-K225 PolarHBondContact O-N 3.33Å
222	T	59.3	Low	69.5	Low	83 Å²	83	103.5 Å²	103.5	51%	0.509	51%	0.508	S	S	.	.	H	α-helix	trans	-60	-36.4	172.7	-55.5	0	0	0	0	112.7	E218 A219 K220	E218-T222 VanDerWaalsContact O-CB 3.31Å; E218-T222 WeakPolarHBondContact O-CB 3.46Å; E218-T222 PolarHBondContact O-N 3.09Å; E218-T222 PolarHBondContact O-OG1 3.08Å; A219-T222 PolarHBondContact O-N 3.23Å; K220-T222 VanDerWaalsContact C-N 3.34Å
223	L	57.5	Low	69.6	Low	152 Å²	152	100.8 Å²	100.8	80%	0.796	50%	0.498	S	S	*	.	H	α-helix	trans	-78.3	-14.5	173.3	-77.6	164.6	0	0	0	114.1	A219 K220 E221	A219-L223 WeakPolarHBondContact O-CB 2.99Å; A219-L223 WeakPolarHBondContact O-CG 3.21Å; A219-L223 PolarHBondContact O-N 2.82Å; K220-L223 CarbonylContact O-C 3.5Å; K220-L223 PolarHBondContact O-N 3.05Å; E221-L223 VanDerWaalsContact C-N 3.29Å; E221-L223 PolarHBondContact O-N 3.43Å
224	Q	61.6	Low	69.4	Low	128 Å²	128	99.8 Å²	99.8	60%	0.598	50%	0.495	S	S	*	.	H	α-helix	trans	-98.7	-14.9	178	-76.5	-175.9	-49	0	0	113.3	K220 E221 L226	K220-Q224 HydrophobicContact CG-CG 4.48Å; K220-Q224 WeakPolarHBondContact O-CB 3.33Å; K220-Q224 VanDerWaalsContact O-CG 3.26Å; K220-Q224 WeakPolarHBondContact O-CG 3.26Å; K220-Q224 PolarHBondContact O-N 2.83Å; E221-Q224 CarbonylContact O-C 3.58Å; E221-Q224 PolarHBondContact O-N 3.5Å; Q224-L226 PolarHBondContact O-N 2.94Å
225	K	64.1	Low	69.4	Low	80 Å²	80	99.2 Å²	99.2	35%	0.348	50%	0.499	S	S	.	.	S	Bend	trans	-52.7	132	166.1	-75.1	-173.2	174.5	-174.5	0	110.1	E221 E229 I230 D233	E221-K225 PolarHBondContact O-N 3.33Å; K225-E229 HydrophobicContact CB-CB 4.48Å; K225-I230 HydrophobicContact CB-CD1 4.19Å; K225-I230 HydrophobicContact CB-CG1 3.71Å; K225-I230 HydrophobicContact CD-CG1 4.33Å; K225-D233 IonicContact NZ-OD2 3.84Å; K225-D233 PolarHBondContact NZ-OD2 3.45Å
226	L	74.1	Confident	69.9	Low	110 Å²	110	102.3 Å²	102.3	58%	0.576	51%	0.508	S	S	*	.			trans	-64.4	151.2	174.9	-86.5	73.8	0	0	0	110	Q224 E228 E229 I230	Q224-L226 PolarHBondContact O-N 2.94Å; L226-E228 PolarHBondContact O-N 3.26Å; L226-E228 VanDerWaalsContact O-N 3.11Å; L226-E229 WeakPolarHBondContact O-CA 3.36Å; L226-E229 VanDerWaalsContact O-CB 3.31Å; L226-E229 WeakPolarHBondContact O-CB 3.38Å; L226-E229 PolarHBondContact O-N 2.89Å; L226-I230 PolarHBondContact O-N 2.58Å; L226-I230 VanDerWaalsContact O-N 3.12Å
227	P	68.8	Low	70.1	Confident	104 Å²	104	102.9 Å²	102.9	68%	0.675	51%	0.508	S	S	*	.	H	α-helix	trans	-53.7	-34.8	177.3	-28.7	35.9	0	0	0	113.7	E229 Q231	P227-E229 VanDerWaalsContact C-N 3.28Å; P227-E229 PolarHBondContact O-N 3.4Å; P227-Q231 WeakPolarHBondContact O-CB 3.36Å; P227-Q231 PolarHBondContact O-N 3.24Å
228	E	71.8	Confident	70	Confident	125 Å²	125	103.5 Å²	103.5	58%	0.584	51%	0.514	S	S	*	.	H	α-helix	trans	-64.3	-29.5	174	-62.2	-173.5	-177	0	0	114.2	L226 R232	L226-E228 PolarHBondContact O-N 3.26Å; L226-E228 VanDerWaalsContact O-N 3.11Å; E228-R232 WeakPolarHBondContact O-CB 3.3Å; E228-R232 VanDerWaalsContact O-CG 3.31Å; E228-R232 WeakPolarHBondContact O-CG 3.36Å; E228-R232 PolarHBondContact O-N 3.48Å; E228-R232 PolarHBondContact O-NE 3.09Å; E228-R232 IonicContact OE2-NH2 3.36Å; E228-R232 PolarHBondContact OE2-NH2 2.84Å
229	E	73.6	Confident	69.9	Low	78 Å²	78	105.4 Å²	105.4	36%	0.364	52%	0.521	S	S	.	.	H	α-helix	trans	-81.4	-44.4	-177.6	-168.3	156.2	-108.2	0	0	110.2	K225 L226 P227 Q231 R232 D233	K225-E229 HydrophobicContact CB-CB 4.48Å; L226-E229 WeakPolarHBondContact O-CA 3.36Å; L226-E229 VanDerWaalsContact O-CB 3.31Å; L226-E229 WeakPolarHBondContact O-CB 3.38Å; L226-E229 PolarHBondContact O-N 2.89Å; P227-E229 VanDerWaalsContact C-N 3.28Å; P227-E229 PolarHBondContact O-N 3.4Å; E229-Q231 PolarHBondContact O-N 3.34Å; E229-R232 WeakPolarHBondContact O-CB 3.47Å; E229-R232 PolarHBondContact O-N 3.12Å; E229-R232 VanDerWaalsContact O-N 3.11Å; E229-R232 IonicContact OE1-NH1 3.41Å; E229-D233 PolarHBondContact O-N 3.4Å
230	I	69.8	Low	70.1	Confident	70 Å²	70	109.7 Å²	109.7	36%	0.359	53%	0.53	S	S	.	.	H	α-helix	trans	-56.4	-42.5	166.9	-58	175.5	0	0	0	110.1	K225 L226 D233 I234	K225-I230 HydrophobicContact CB-CD1 4.19Å; K225-I230 HydrophobicContact CB-CG1 3.71Å; K225-I230 HydrophobicContact CD-CG1 4.33Å; L226-I230 PolarHBondContact O-N 2.58Å; L226-I230 VanDerWaalsContact O-N 3.12Å; I230-D233 PolarHBondContact O-N 3.05Å; I230-I234 HydrophobicContact CG2-CD1 3.92Å; I230-I234 WeakPolarHBondContact O-CB 3.45Å; I230-I234 VanDerWaalsContact O-CG1 3.25Å; I230-I234 WeakPolarHBondContact O-CG1 3.13Å; I230-I234 PolarHBondContact O-N 3.31Å
231	Q	68.6	Low	69.9	Low	125 Å²	125	106.6 Å²	106.6	58%	0.584	52%	0.521	S	S	*	.	H	α-helix	trans	-72	-28.4	178.3	-169.2	163.7	-15.9	0	0	113	P227 E229 L235	P227-Q231 WeakPolarHBondContact O-CB 3.36Å; P227-Q231 PolarHBondContact O-N 3.24Å; E229-Q231 PolarHBondContact O-N 3.34Å; Q231-L235 WeakPolarHBondContact O-CB 3.36Å; Q231-L235 WeakPolarHBondContact O-CD1 3.4Å; Q231-L235 VanDerWaalsContact O-CG 3.23Å; Q231-L235 WeakPolarHBondContact O-CG 3.28Å; Q231-L235 PolarHBondContact O-N 3.04Å; Q231-L235 VanDerWaalsContact O-N 3.09Å
232	R	80.6	Confident	69.6	Low	122 Å²	122	103 Å²	103	46%	0.46	51%	0.512	S	S	.	.	H	α-helix	trans	-69.4	-44	169.2	-87.5	178	-101.7	139	-10.2	111.8	E228 E229 L235 L236	E228-R232 WeakPolarHBondContact O-CB 3.3Å; E228-R232 VanDerWaalsContact O-CG 3.31Å; E228-R232 WeakPolarHBondContact O-CG 3.36Å; E228-R232 PolarHBondContact O-N 3.48Å; E228-R232 PolarHBondContact O-NE 3.09Å; E228-R232 IonicContact OE2-NH2 3.36Å; E228-R232 PolarHBondContact OE2-NH2 2.84Å; E229-R232 WeakPolarHBondContact O-CB 3.47Å; E229-R232 PolarHBondContact O-N 3.12Å; E229-R232 VanDerWaalsContact O-N 3.11Å; E229-R232 IonicContact OE1-NH1 3.41Å; R232-L235 CarbonylContact O-C 3.58Å; R232-L235 PolarHBondContact O-N 3.24Å; R232-L235 VanDerWaalsContact O-N 3.15Å; R232-L236 PolarHBondContact O-N 3.49Å
233	D	74.3	Confident	69.6	Low	64 Å²	64	105.6 Å²	105.6	34%	0.342	52%	0.519	S	S	.	.	H	α-helix	trans	-60.5	-48.9	175.5	-71.8	-15.6	0	0	0	110.6	K225 E229 I230 L235 L236 E237	K225-D233 IonicContact NZ-OD2 3.84Å; K225-D233 PolarHBondContact NZ-OD2 3.45Å; E229-D233 PolarHBondContact O-N 3.4Å; I230-D233 PolarHBondContact O-N 3.05Å; D233-L235 PolarHBondContact O-N 3.29Å; D233-L236 PolarHBondContact O-N 3.49Å; D233-L236 VanDerWaalsContact O-N 3.11Å; D233-E237 WeakPolarHBondContact O-CB 3.33Å; D233-E237 PolarHBondContact O-N 3.3Å
234	I	72.4	Confident	69.6	Low	73 Å²	73	101.2 Å²	101.2	37%	0.374	50%	0.497	S	S	.	.	H	α-helix	trans	-58.7	-34.3	174.6	-70	167	0	0	0	111.9	I230 K238	I230-I234 HydrophobicContact CG2-CD1 3.92Å; I230-I234 WeakPolarHBondContact O-CB 3.45Å; I230-I234 VanDerWaalsContact O-CG1 3.25Å; I230-I234 WeakPolarHBondContact O-CG1 3.13Å; I230-I234 PolarHBondContact O-N 3.31Å; I234-K238 HydrophobicContact CG2-CD 3.98Å; I234-K238 WeakPolarHBondContact O-CB 3.42Å; I234-K238 WeakPolarHBondContact O-CD 3.15Å; I234-K238 WeakPolarHBondContact O-CG 3Å; I234-K238 PolarHBondContact O-N 2.76Å
235	L	76.6	Confident	69.3	Low	97 Å²	97	98.6 Å²	98.6	51%	0.508	48%	0.484	S	S	.	.	H	α-helix	trans	-75.8	-34.8	176.1	-80	167.4	0	0	0	113	Q231 R232 D233 K239	Q231-L235 WeakPolarHBondContact O-CB 3.36Å; Q231-L235 WeakPolarHBondContact O-CD1 3.4Å; Q231-L235 VanDerWaalsContact O-CG 3.23Å; Q231-L235 WeakPolarHBondContact O-CG 3.28Å; Q231-L235 PolarHBondContact O-N 3.04Å; Q231-L235 VanDerWaalsContact O-N 3.09Å; R232-L235 CarbonylContact O-C 3.58Å; R232-L235 PolarHBondContact O-N 3.24Å; R232-L235 VanDerWaalsContact O-N 3.15Å; D233-L235 PolarHBondContact O-N 3.29Å; L235-K239 WeakPolarHBondContact O-CB 3.5Å; L235-K239 WeakPolarHBondContact O-CG 3.17Å; L235-K239 PolarHBondContact O-N 3.41Å
236	L	78	Confident	68.9	Low	115 Å²	115	100.7 Å²	100.7	60%	0.602	50%	0.499	S	S	*	.	H	α-helix	trans	-67.4	-46.1	172.9	-87.7	160.6	0	0	0	111.1	R232 D233 K239 K240	R232-L236 PolarHBondContact O-N 3.49Å; D233-L236 PolarHBondContact O-N 3.49Å; D233-L236 VanDerWaalsContact O-N 3.11Å; L236-K239 WeakPolarHBondContact O-CB 3.27Å; L236-K239 PolarHBondContact O-N 3.33Å; L236-K240 PolarHBondContact O-N 3.38Å
237	E	72.1	Confident	68	Low	110 Å²	110	103.1 Å²	103.1	51%	0.514	50%	0.5	S	S	.	.	H	α-helix	trans	-66.6	-43	178.5	-166.5	164.6	-123.3	0	0	111.3	D233 K239 K240 V241	D233-E237 WeakPolarHBondContact O-CB 3.33Å; D233-E237 PolarHBondContact O-N 3.3Å; E237-K239 VanDerWaalsContact C-N 3.31Å; E237-K239 PolarHBondContact O-N 2.96Å; E237-K240 PolarHBondContact O-N 2.84Å; E237-V241 WeakPolarHBondContact O-CB 3.44Å; E237-V241 WeakPolarHBondContact O-CG2 3.22Å; E237-V241 PolarHBondContact O-N 3.36Å
238	K	71	Confident	67.2	Low	137 Å²	137	100 Å²	100	60%	0.596	48%	0.477	S	S	*	.	H	α-helix	trans	-60	-36.9	169.7	-78.6	173.3	180	175.2	0	113.1	I234 A242	I234-K238 HydrophobicContact CG2-CD 3.98Å; I234-K238 WeakPolarHBondContact O-CB 3.42Å; I234-K238 WeakPolarHBondContact O-CD 3.15Å; I234-K238 WeakPolarHBondContact O-CG 3Å; I234-K238 PolarHBondContact O-N 2.76Å; K238-A242 WeakPolarHBondContact O-CB 3.34Å; K238-A242 PolarHBondContact O-N 2.72Å
239	K	71.6	Confident	66	Low	146 Å²	146	100.5 Å²	100.5	64%	0.635	48%	0.478	S	S	*	.	H	α-helix	trans	-67.2	-41.7	173.8	-84.3	178.4	175.7	-177.9	0	112	L235 L236 E237 A242 Q243	L235-K239 WeakPolarHBondContact O-CB 3.5Å; L235-K239 WeakPolarHBondContact O-CG 3.17Å; L235-K239 PolarHBondContact O-N 3.41Å; L236-K239 WeakPolarHBondContact O-CB 3.27Å; L236-K239 PolarHBondContact O-N 3.33Å; E237-K239 VanDerWaalsContact C-N 3.31Å; E237-K239 PolarHBondContact O-N 2.96Å; K239-A242 PolarHBondContact O-N 2.97Å; K239-Q243 WeakPolarHBondContact O-CG 3.24Å; K239-Q243 PolarHBondContact O-N 2.76Å
240	K	70.9	Confident	64.7	Low	139 Å²	139	100 Å²	100	60%	0.604	49%	0.487	S	S	*	.	H	α-helix	trans	-63	-52.4	176.8	-171.1	-176	174.9	-167	0	110.8	L236 E237 A242 Q243 D244	L236-K240 PolarHBondContact O-N 3.38Å; E237-K240 PolarHBondContact O-N 2.84Å; K240-A242 VanDerWaalsContact C-N 3.26Å; K240-A242 PolarHBondContact O-N 3.44Å; K240-Q243 WeakPolarHBondContact O-CA 3.27Å; K240-Q243 PolarHBondContact O-N 3.16Å; K240-D244 PolarHBondContact O-N 3.42Å
241	V	64.1	Low	63.4	Low	58 Å²	58	102.3 Å²	102.3	35%	0.352	51%	0.507	S	S	.	.	H	α-helix	trans	-57.2	-37.8	173.6	173.5	0	0	0	0	111.5	E237 Q245	E237-V241 WeakPolarHBondContact O-CB 3.44Å; E237-V241 WeakPolarHBondContact O-CG2 3.22Å; E237-V241 PolarHBondContact O-N 3.36Å; V241-Q245 HydrophobicContact CG1-CG 4.43Å; V241-Q245 VanDerWaalsContact O-CB 3.23Å; V241-Q245 WeakPolarHBondContact O-CB 3.29Å; V241-Q245 VanDerWaalsContact O-CG 3.25Å; V241-Q245 WeakPolarHBondContact O-CG 3.31Å; V241-Q245 PolarHBondContact O-N 3.14Å
242	A	61.5	Low	62.5	Low	46 Å²	46	100.6 Å²	100.6	38%	0.38	50%	0.498	S	S	.	.	H	α-helix	trans	-68.9	-33.9	174.6	0	0	0	0	0	113.5	K238 K239 K240 L246	K238-A242 WeakPolarHBondContact O-CB 3.34Å; K238-A242 PolarHBondContact O-N 2.72Å; K239-A242 PolarHBondContact O-N 2.97Å; K240-A242 VanDerWaalsContact C-N 3.26Å; K240-A242 PolarHBondContact O-N 3.44Å; A242-L246 WeakPolarHBondContact O-CD1 3.42Å; A242-L246 VanDerWaalsContact O-CG 3.25Å; A242-L246 WeakPolarHBondContact O-CG 3.06Å; A242-L246 PolarHBondContact O-N 3.32Å; A242-L246 VanDerWaalsContact O-N 3.09Å
243	Q	58.8	Low	61.3	Low	138 Å²	138	105.6 Å²	105.6	65%	0.645	52%	0.517	S	S	*	.	H	α-helix	trans	-71.3	-42.5	172.8	-75.3	-173.3	-78.3	0	0	111.9	K239 K240 Q245 L246 R247	K239-Q243 WeakPolarHBondContact O-CG 3.24Å; K239-Q243 PolarHBondContact O-N 2.76Å; K240-Q243 WeakPolarHBondContact O-CA 3.27Å; K240-Q243 PolarHBondContact O-N 3.16Å; Q243-Q245 VanDerWaalsContact C-N 3.35Å; Q243-L246 CarbonylContact O-C 3.6Å; Q243-L246 WeakPolarHBondContact O-CA 3.2Å; Q243-L246 WeakPolarHBondContact O-CB 3.37Å; Q243-L246 PolarHBondContact O-N 3.47Å; Q243-R247 PolarHBondContact O-N 3.36Å
244	D	58	Low	61	Low	61 Å²	61	105.9 Å²	105.9	33%	0.326	54%	0.535	S	S	.	.	H	α-helix	trans	-63.8	-42	174.7	-67	-37.2	0	0	0	110.2	K240 L246 R247 D248	K240-D244 PolarHBondContact O-N 3.42Å; D244-L246 PolarHBondContact O-N 3.49Å; D244-R247 PolarHBondContact O-N 3.07Å; D244-D248 WeakPolarHBondContact O-CB 3.29Å; D244-D248 VanDerWaalsContact O-CG 3.29Å; D244-D248 PolarHBondContact O-N 3.14Å
245	Q	55.6	Low	61.6	Low	72 Å²	72	104.7 Å²	104.7	34%	0.336	53%	0.529	S	S	.	.	H	α-helix	trans	-63.7	-18.3	169.7	-78.6	-173.6	13.1	0	0	114.8	V241 Q243 K249	V241-Q245 HydrophobicContact CG1-CG 4.43Å; V241-Q245 VanDerWaalsContact O-CB 3.23Å; V241-Q245 WeakPolarHBondContact O-CB 3.29Å; V241-Q245 VanDerWaalsContact O-CG 3.25Å; V241-Q245 WeakPolarHBondContact O-CG 3.31Å; V241-Q245 PolarHBondContact O-N 3.14Å; Q243-Q245 VanDerWaalsContact C-N 3.35Å; Q245-K249 VanDerWaalsContact O-CB 3.31Å; Q245-K249 WeakPolarHBondContact O-CB 3.46Å; Q245-K249 WeakPolarHBondContact O-CD 3.45Å; Q245-K249 WeakPolarHBondContact O-CE 3.33Å; Q245-K249 WeakPolarHBondContact O-CG 3.46Å
246	L	53.8	Low	62.1	Low	125 Å²	125	102.3 Å²	102.3	65%	0.654	52%	0.519	S	S	*	.	H	α-helix	trans	-88.3	-33.8	172.8	-77.6	165.5	0	0	0	111.4	A242 Q243 D244 K249 A250	A242-L246 WeakPolarHBondContact O-CD1 3.42Å; A242-L246 VanDerWaalsContact O-CG 3.25Å; A242-L246 WeakPolarHBondContact O-CG 3.06Å; A242-L246 PolarHBondContact O-N 3.32Å; A242-L246 VanDerWaalsContact O-N 3.09Å; Q243-L246 CarbonylContact O-C 3.6Å; Q243-L246 WeakPolarHBondContact O-CA 3.2Å; Q243-L246 WeakPolarHBondContact O-CB 3.37Å; Q243-L246 PolarHBondContact O-N 3.47Å; D244-L246 PolarHBondContact O-N 3.49Å; L246-K249 CarbonylContact O-C 3.59Å; L246-K249 PolarHBondContact O-N 3.36Å; L246-A250 PolarHBondContact O-N 2.81Å
247	R	56	Low	62.3	Low	161 Å²	161	102.8 Å²	102.8	61%	0.608	53%	0.529	S	S	*	.	H	α-helix	trans	-67	-46.8	171.5	179.7	177.5	168.2	-168.5	-9.3	111.2	Q243 D244 K249 A250 E455	Q243-R247 PolarHBondContact O-N 3.36Å; D244-R247 PolarHBondContact O-N 3.07Å; R247-K249 PolarHBondContact O-N 2.91Å; R247-A250 WeakPolarHBondContact O-CB 3.25Å; R247-A250 PolarHBondContact O-N 2.94Å; R247-A250 VanDerWaalsContact O-N 3.1Å; R247-E455 IonicContact NH2-OE2 3.26Å
248	D	52.5	Low	62.9	Low	37 Å²	37	99.7 Å²	99.7	20%	0.198	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14	174	-67.3	5.8	0	0	0	112.1	D244 H401 I452 K456	D244-D248 WeakPolarHBondContact O-CB 3.29Å; D244-D248 VanDerWaalsContact O-CG 3.29Å; D244-D248 PolarHBondContact O-N 3.14Å; D248-H401 IonicContact OD2-CD2 2.69Å; D248-H401 IonicContact OD2-CE1 2.66Å; D248-H401 IonicContact OD2-NE2 3.2Å; D248-H401 PolarHBondContact OD2-NE2 3.12Å; D248-I452 HydrophobicContact CB-CD1 4.38Å; D248-I452 WeakPolarHBondContact OD1-CD1 3.44Å; D248-K456 IonicContact OD1-NZ 2.71Å; D248-K456 IonicContact OD2-NZ 3.76Å; D248-K456 PolarHBondContact OD2-NZ 3.15Å
249	K	45.7	Very low	63.4	Low	136 Å²	136	100.2 Å²	100.2	59%	0.591	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	15.4	173.6	-75.4	173.9	-163.4	151.4	0	114.1	Q245 L246 R247 P251	Q245-K249 VanDerWaalsContact O-CB 3.31Å; Q245-K249 WeakPolarHBondContact O-CB 3.46Å; Q245-K249 WeakPolarHBondContact O-CD 3.45Å; Q245-K249 WeakPolarHBondContact O-CE 3.33Å; Q245-K249 WeakPolarHBondContact O-CG 3.46Å; L246-K249 CarbonylContact O-C 3.59Å; L246-K249 PolarHBondContact O-N 3.36Å; R247-K249 PolarHBondContact O-N 2.91Å; K249-P251 VanDerWaalsContact O-N 3.17Å
250	A	46.5	Very low	64	Low	68 Å²	68	97 Å²	97	56%	0.562	51%	0.513	S	S	*	.	S	Bend	trans	-51.9	124.7	167	0	0	0	0	0	108.7	L246 R247 F252	L246-A250 PolarHBondContact O-N 2.81Å; R247-A250 WeakPolarHBondContact O-CB 3.25Å; R247-A250 PolarHBondContact O-N 2.94Å; R247-A250 VanDerWaalsContact O-N 3.1Å; A250-F252 PolarHBondContact O-N 3.38Å
251	P	42.9	Very low	64.9	Low	119 Å²	119	95.8 Å²	95.8	77%	0.773	52%	0.517	S	S	*	.			trans	-62.1	117	-169.4	23.2	-33.2	0	0	0	109.6	K249 R253	K249-P251 VanDerWaalsContact O-N 3.17Å; P251-R253 PolarHBondContact O-N 3.24Å
252	F	50.2	Low	66	Low	89 Å²	89	97.8 Å²	97.8	39%	0.39	53%	0.531	S	S	.	.			trans	-62	100.1	-175.5	-152	-79	0	0	0	108.4	A250 L255 V390 V394	A250-F252 PolarHBondContact O-N 3.38Å; F252-L255 HydrophobicContact CE1-CD2 3.96Å; F252-L255 HydrophobicContact CE1-CG 4.34Å; F252-L255 HydrophobicContact CZ-CD2 4.32Å; F252-V390 HydrophobicContact CE1-CG1 4.2Å; F252-V390 HydrophobicContact CE2-CG1 4.11Å; F252-V390 HydrophobicContact CZ-CG1 3.52Å; F252-V394 HydrophobicContact CD2-CG2 4.07Å; F252-V394 HydrophobicContact CE2-CG2 3.84Å
253	R	55.8	Low	67.5	Low	227 Å²	227	96.9 Å²	96.9	86%	0.857	52%	0.521	S	S	*	.			trans	-60	144.5	169.8	-62.9	-177.9	-178.7	-176.5	0.2	106.8	P251 L255	P251-R253 PolarHBondContact O-N 3.24Å; R253-L255 PolarHBondContact O-N 2.88Å
254	G	66.6	Low	69.1	Low	70 Å²	70	94.4 Å²	94.4	72%	0.722	51%	0.512	S	S	*	.			trans	-48.3	142.5	-176.2	0	0	0	0	0	111.6
255	L	84.8	Confident	70.7	Confident	48 Å²	48	92.7 Å²	92.7	25%	0.251	51%	0.508	S	S	.	.			trans	-44.5	135.6	-176.8	-79.4	167.1	0	0	0	110.7	F252 R253 R386 K387 V390	F252-L255 HydrophobicContact CE1-CD2 3.96Å; F252-L255 HydrophobicContact CE1-CG 4.34Å; F252-L255 HydrophobicContact CZ-CD2 4.32Å; R253-L255 PolarHBondContact O-N 2.88Å; L255-R386 HydrophobicContact CD1-CG 4.36Å; L255-K387 HydrophobicContact CD1-CB 4.34Å; L255-V390 HydrophobicContact CD2-CB 4.28Å; L255-V390 HydrophobicContact CD2-CG1 4.11Å; L255-V390 HydrophobicContact CD2-CG2 4.1Å
256	P	87.3	Confident	72.4	Confident	47 Å²	47	91 Å²	91	31%	0.305	50%	0.503	S	S	.	.			trans	-60	151.1	179	26.6	-34.1	0	0	0	109.8	V258 R386 S448	P256-V258 PolarHBondContact O-N 3.3Å; P256-R386 PolarHBondContact O-NH1 3.18Å; P256-R386 PolarHBondContact O-NH2 3.35Å; P256-S448 VanDerWaalsContact CD-O 3.29Å; P256-S448 WeakPolarHBondContact CD-O 3.43Å
257	P	82.6	Confident	73.9	Confident	124 Å²	124	92.2 Å²	92.2	81%	0.805	51%	0.505	S	S	*	.			trans	-57.6	132.3	163.4	27.4	-33.1	0	0	0	108.5
258	V	83.8	Confident	75.3	Confident	45 Å²	45	85.5 Å²	85.5	27%	0.273	48%	0.483	S	S	.	.			trans	-128.9	121.9	170.5	167.1	0	0	0	0	104.8	P256 F260 R386 L447	P256-V258 PolarHBondContact O-N 3.3Å; V258-F260 PolarHBondContact O-N 3.24Å; V258-R386 VanDerWaalsContact CG2-NH2 3.27Å; V258-L447 HydrophobicContact CG1-CD2 4.28Å
259	D	82.2	Confident	77.1	Confident	149 Å²	149	90.8 Å²	90.8	80%	0.797	50%	0.5	S	S	*	.			trans	-73.5	117.8	-179.6	-65.1	-44.1	0	0	0	109	V261	D259-V261 PolarHBondContact O-N 3.49Å; D259-V261 VanDerWaalsContact O-N 3.13Å
260	F	84.9	Confident	79.3	Confident	78 Å²	78	89.1 Å²	89.1	34%	0.342	49%	0.494	S	S	.	.			trans	-68.8	111	179.3	177.9	-107.2	0	0	0	110.5	V258 P263 G381	V258-F260 PolarHBondContact O-N 3.24Å; F260-P263 HydrophobicContact CZ-CG 4.31Å; F260-G381 VanDerWaalsContact CD2-CA 3.49Å; F260-G381 VanDerWaalsContact CZ-N 3.29Å
261	V	88.4	Confident	81.5	Confident	113 Å²	113	86 Å²	86	69%	0.685	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-82.2	124.7	173.4	-178.5	0	0	0	0	108.7	D259	D259-V261 PolarHBondContact O-N 3.49Å; D259-V261 VanDerWaalsContact O-N 3.13Å
262	P	88.7	Confident	84	Confident	100 Å²	100	84.8 Å²	84.8	65%	0.649	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-54.6	129.6	177.8	-28.8	36.4	0	0	0	112.4
263	P	91.7	Very high	86.2	Confident	28 Å²	28	84.6 Å²	84.6	18%	0.182	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-71.8	138.2	-170.3	25.3	-33.9	0	0	0	112.7	F260 V266 Y378 W713	F260-P263 HydrophobicContact CZ-CG 4.31Å; P263-V266 HydrophobicContact CB-CG1 3.67Å; P263-V266 HydrophobicContact CG-CB 4.5Å; P263-V266 HydrophobicContact CG-CG1 3.76Å; P263-V266 HydrophobicContact CG-CG2 3.95Å; P263-Y378 WeakPolarHBondContact CB-O 3.09Å; P263-W713 HydrophobicContact CB-CH2 3.9Å; P263-W713 HydrophobicContact CB-CZ2 3.66Å
264	I	93.1	Very high	88.1	Confident	85 Å²	85	75.9 Å²	75.9	44%	0.436	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	129.7	-173.9	-63	171.3	0	0	0	110.1	H712 W713	I264-H712 WeakPolarHBondContact CD1-ND1 3.31Å; I264-W713 PolarHBondContact O-NE1 3.43Å
265	G	91.8	Very high	89.6	Confident	25 Å²	25	74.9 Å²	74.9	26%	0.258	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	29	174.1	0	0	0	0	0	114.9	D706 L707 L708	G265-D706 VanDerWaalsContact CA-O 3.27Å; G265-D706 WeakPolarHBondContact CA-O 3.46Å; G265-L707 CarbonylContact O-C 3.58Å; G265-L707 WeakPolarHBondContact O-CA 3.23Å; G265-L708 PolarHBondContact O-N 3.34Å
266	V	90.9	Very high	90.2	Very high	37 Å²	37	73.9 Å²	73.9	22%	0.224	43%	0.427	C	S	.	.			trans	-89.2	-4.7	174.4	-59.7	0	0	0	0	114	P263 S268 L379 L708 W713	P263-V266 HydrophobicContact CB-CG1 3.67Å; P263-V266 HydrophobicContact CG-CB 4.5Å; P263-V266 HydrophobicContact CG-CG1 3.76Å; P263-V266 HydrophobicContact CG-CG2 3.95Å; V266-S268 PolarHBondContact O-N 3.19Å; V266-S268 VanDerWaalsContact O-N 3.1Å; V266-L379 HydrophobicContact CG1-CD2 3.54Å; V266-L708 HydrophobicContact CG1-CD2 4.05Å; V266-W713 HydrophobicContact CG1-CZ2 4.46Å
267	E	85.4	Confident	90.7	Very high	151 Å²	151	75.8 Å²	75.8	71%	0.706	43%	0.428	S	S	*	.			trans	-73.5	100.5	178.5	-66.2	-169.2	172.3	0	0	110.3	R269	E267-R269 VanDerWaalsContact C-N 3.29Å; E267-R269 PolarHBondContact O-N 2.81Å
268	S	85.3	Confident	91.5	Very high	19 Å²	19	76.5 Å²	76.5	13%	0.133	42%	0.421	C	S	.	.			trans	-71.6	81.5	177.4	-169.4	0	0	0	0	111.7	V266 R280 Y699	V266-S268 PolarHBondContact O-N 3.19Å; V266-S268 VanDerWaalsContact O-N 3.1Å; S268-R280 PolarHBondContact OG-NH1 3.19Å; S268-R280 PolarHBondContact OG-NH2 2.91Å; S268-Y699 PolarHBondContact OG-OH 3.03Å
269	R	90.1	Very high	92.2	Very high	148 Å²	148	76.8 Å²	76.8	56%	0.558	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-68.3	148.9	172.5	-55.8	-162.6	-68.7	159.9	0.8	110	E267 R280 D706	E267-R269 VanDerWaalsContact C-N 3.29Å; E267-R269 PolarHBondContact O-N 2.81Å; R269-R280 VanDerWaalsContact O-CZ 3.28Å; R269-R280 PolarHBondContact O-NH1 3.08Å; R269-R280 PolarHBondContact O-NH2 3.32Å; R269-D706 IonicContact CZ-OD2 3.61Å; R269-D706 IonicContact NE-OD2 3.96Å; R269-D706 PolarHBondContact NE-OD2 3.04Å; R269-D706 IonicContact NH2-OD1 3.5Å; R269-D706 IonicContact NH2-OD2 3.95Å; R269-D706 PolarHBondContact NH2-OD2 3.28Å
270	E	91.8	Very high	93	Very high	102 Å²	102	69.7 Å²	69.7	48%	0.477	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-82.4	122.8	176.9	-85.6	-65.1	132.7	0	0	110.4	R277 R280	E270-R277 WeakPolarHBondContact OE2-CD 3.46Å; E270-R277 WeakPolarHBondContact OE2-CG 3.49Å; E270-R280 VanDerWaalsContact CD-NH2 3.33Å; E270-R280 IonicContact OE1-CZ 2.94Å; E270-R280 IonicContact OE1-NE 3.37Å; E270-R280 IonicContact OE1-NH2 3.57Å; E270-R280 PolarHBondContact OE1-NH2 3.39Å
271	P	94.2	Very high	93.7	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.006	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-50.5	146.2	-178.5	-31.6	34.6	0	0	0	114.3	D273 I276 R277 F702 D704	P271-D273 VanDerWaalsContact C-N 3.33Å; P271-D273 PolarHBondContact O-N 2.85Å; P271-I276 HydrophobicContact CB-CB 4.24Å; P271-I276 HydrophobicContact CB-CG2 3.74Å; P271-I276 HydrophobicContact CG-CG2 3.94Å; P271-R277 HydrophobicContact CB-CG 4.13Å; P271-R277 VanDerWaalsContact O-CD 3.23Å; P271-R277 WeakPolarHBondContact O-CD 3.18Å; P271-R277 WeakPolarHBondContact O-CG 3.48Å; P271-R277 PolarHBondContact O-NH1 3.3Å; P271-F702 WeakPolarHBondContact CG-O 3.33Å; P271-D704 WeakPolarHBondContact CA-OD2 3.33Å
272	A	93.6	Very high	94.2	Very high	94 Å²	94	66.1 Å²	66.1	78%	0.777	37%	0.366	S	S	*	.	S	Bend	trans	-64.9	-33.6	-177.1	0	0	0	0	0	113.7	R277	A272-R277 PolarHBondContact O-NH1 3.49Å
273	D	96.4	Very high	94.6	Very high	86 Å²	86	61.3 Å²	61.3	46%	0.46	34%	0.335	S	S	.	.	S	Bend	trans	-82.4	137.1	178.7	179.4	-97.5	0	0	0	113.1	P271 A275 I276 R277	P271-D273 VanDerWaalsContact C-N 3.33Å; P271-D273 PolarHBondContact O-N 2.85Å; D273-A275 WeakPolarHBondContact OD1-CA 3.43Å; D273-A275 WeakPolarHBondContact OD1-CB 3.5Å; D273-A275 PolarHBondContact OD1-N 2.88Å; D273-I276 HydrophobicContact CB-CB 4.17Å; D273-I276 HydrophobicContact CB-CG1 3.93Å; D273-I276 PolarHBondContact O-N 3.37Å; D273-I276 PolarHBondContact OD1-N 2.83Å; D273-R277 WeakPolarHBondContact O-CG 3.45Å; D273-R277 PolarHBondContact O-N 2.87Å; D273-R277 VanDerWaalsContact O-N 3.09Å
274	A	97.2	Very high	95	Very high	44 Å²	44	62 Å²	62	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-68.2	-40.7	-176.5	0	0	0	0	0	113.7	R277 E278	A274-R277 PolarHBondContact O-N 2.84Å; A274-E278 WeakPolarHBondContact O-CG 3.4Å; A274-E278 PolarHBondContact O-N 2.99Å
275	A	97.4	Very high	95.3	Very high	49 Å²	49	61.4 Å²	61.4	41%	0.405	33%	0.331	S	S	.	.	H	α-helix	trans	-70.7	-35.8	179.4	0	0	0	0	0	110.9	D273 E278 K279	D273-A275 WeakPolarHBondContact OD1-CA 3.43Å; D273-A275 WeakPolarHBondContact OD1-CB 3.5Å; D273-A275 PolarHBondContact OD1-N 2.88Å; A275-E278 PolarHBondContact O-N 2.85Å; A275-K279 WeakPolarHBondContact O-CB 3.42Å; A275-K279 VanDerWaalsContact O-CG 3.24Å; A275-K279 WeakPolarHBondContact O-CG 3.42Å; A275-K279 PolarHBondContact O-N 3.27Å
276	I	98.3	Very high	95.6	Very high	26 Å²	26	60.2 Å²	60.2	13%	0.133	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-43.4	172.9	-59.2	-60.4	0	0	0	111.1	P271 D273 E278 K279 R280 F702	P271-I276 HydrophobicContact CB-CB 4.24Å; P271-I276 HydrophobicContact CB-CG2 3.74Å; P271-I276 HydrophobicContact CG-CG2 3.94Å; D273-I276 HydrophobicContact CB-CB 4.17Å; D273-I276 HydrophobicContact CB-CG1 3.93Å; D273-I276 PolarHBondContact O-N 3.37Å; D273-I276 PolarHBondContact OD1-N 2.83Å; I276-E278 PolarHBondContact O-N 3.18Å; I276-K279 PolarHBondContact O-N 3.38Å; I276-R280 WeakPolarHBondContact O-CB 3.49Å; I276-R280 PolarHBondContact O-N 2.83Å; I276-F702 HydrophobicContact CD1-CD1 4.04Å; I276-F702 HydrophobicContact CG2-CB 4.25Å; I276-F702 VanDerWaalsContact CG2-O 3.22Å; I276-F702 WeakPolarHBondContact CG2-O 3.4Å
277	R	97.9	Very high	96	Very high	87 Å²	87	58.5 Å²	58.5	33%	0.328	31%	0.308	S	S	.	.	H	α-helix	trans	-58	-47.8	172.6	-70.2	-168	-62	-86.4	1.4	112.5	E270 P271 A272 D273 A274 K279 R280 A281	E270-R277 WeakPolarHBondContact OE2-CD 3.46Å; E270-R277 WeakPolarHBondContact OE2-CG 3.49Å; P271-R277 HydrophobicContact CB-CG 4.13Å; P271-R277 VanDerWaalsContact O-CD 3.23Å; P271-R277 WeakPolarHBondContact O-CD 3.18Å; P271-R277 WeakPolarHBondContact O-CG 3.48Å; P271-R277 PolarHBondContact O-NH1 3.3Å; A272-R277 PolarHBondContact O-NH1 3.49Å; D273-R277 WeakPolarHBondContact O-CG 3.45Å; D273-R277 PolarHBondContact O-N 2.87Å; D273-R277 VanDerWaalsContact O-N 3.09Å; A274-R277 PolarHBondContact O-N 2.84Å; R277-K279 VanDerWaalsContact C-N 3.34Å; R277-K279 PolarHBondContact O-N 3.18Å; R277-R280 PolarHBondContact O-N 3Å; R277-A281 VanDerWaalsContact O-CB 3.29Å; R277-A281 WeakPolarHBondContact O-CB 3.25Å; R277-A281 PolarHBondContact O-N 2.91Å
278	E	98.5	Very high	96.6	Very high	140 Å²	140	55.2 Å²	55.2	65%	0.654	29%	0.291	S	S	*	.	H	α-helix	trans	-60.8	-42	179.1	-74.4	172.9	-169.2	0	0	112	A274 A275 I276 A281 K282	A274-E278 WeakPolarHBondContact O-CG 3.4Å; A274-E278 PolarHBondContact O-N 2.99Å; A275-E278 PolarHBondContact O-N 2.85Å; I276-E278 PolarHBondContact O-N 3.18Å; E278-A281 PolarHBondContact O-N 2.86Å; E278-K282 WeakPolarHBondContact O-CB 3.46Å; E278-K282 PolarHBondContact O-N 3Å
279	K	98.8	Very high	97.3	Very high	50 Å²	50	55.8 Å²	55.8	22%	0.217	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-44.5	174.8	-70.1	-173.2	176.4	-156	0	112.3	A275 I276 R277 K282 I283 W653 F702	A275-K279 WeakPolarHBondContact O-CB 3.42Å; A275-K279 VanDerWaalsContact O-CG 3.24Å; A275-K279 WeakPolarHBondContact O-CG 3.42Å; A275-K279 PolarHBondContact O-N 3.27Å; I276-K279 PolarHBondContact O-N 3.38Å; R277-K279 VanDerWaalsContact C-N 3.34Å; R277-K279 PolarHBondContact O-N 3.18Å; K279-K282 WeakPolarHBondContact O-CB 3.41Å; K279-K282 PolarHBondContact O-N 2.9Å; K279-I283 WeakPolarHBondContact O-CD1 3.48Å; K279-I283 PolarHBondContact O-N 2.96Å; K279-W653 HydrophobicContact CB-CE3 3.79Å; K279-W653 HydrophobicContact CB-CH2 4.11Å; K279-W653 HydrophobicContact CB-CZ3 3.5Å; K279-W653 VanDerWaalsContact CB-CZ3 3.5Å; K279-W653 HydrophobicContact CD-CD2 3.57Å; K279-W653 HydrophobicContact CD-CE3 3.51Å; K279-W653 HydrophobicContact CD-CG 4.02Å; K279-W653 HydrophobicContact CD-CZ3 4.01Å; K279-W653 VanDerWaalsContact CE-CD2 3.49Å; K279-W653 HydrophobicContact CG-CD2 3.87Å; K279-W653 HydrophobicContact CG-CE3 3.51Å; K279-W653 HydrophobicContact CG-CH2 3.71Å; K279-W653 HydrophobicContact CG-CZ2 4.06Å; K279-W653 HydrophobicContact CG-CZ3 3.43Å; K279-W653 VanDerWaalsContact CG-CZ3 3.43Å; K279-W653 VanDerWaalsContact NZ-CD1 3.25Å; K279-F702 HydrophobicContact CB-CB 4.47Å; K279-F702 HydrophobicContact CB-CD1 3.86Å; K279-F702 HydrophobicContact CB-CD2 4.47Å; K279-F702 HydrophobicContact CB-CE1 4.25Å; K279-F702 HydrophobicContact CB-CG 4Å; K279-F702 HydrophobicContact CD-CD1 3.98Å; K279-F702 HydrophobicContact CD-CE1 3.61Å; K279-F702 HydrophobicContact CD-CZ 4.18Å
280	R	98.6	Very high	97.7	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-43.1	176.1	-169.3	175.1	81.1	161	7	112.3	S268 R269 E270 I276 R277 K282 I283 K284 Y699 F702 S703	S268-R280 PolarHBondContact OG-NH1 3.19Å; S268-R280 PolarHBondContact OG-NH2 2.91Å; R269-R280 VanDerWaalsContact O-CZ 3.28Å; R269-R280 PolarHBondContact O-NH1 3.08Å; R269-R280 PolarHBondContact O-NH2 3.32Å; E270-R280 VanDerWaalsContact CD-NH2 3.33Å; E270-R280 IonicContact OE1-CZ 2.94Å; E270-R280 IonicContact OE1-NE 3.37Å; E270-R280 IonicContact OE1-NH2 3.57Å; E270-R280 PolarHBondContact OE1-NH2 3.39Å; I276-R280 WeakPolarHBondContact O-CB 3.49Å; I276-R280 PolarHBondContact O-N 2.83Å; R277-R280 PolarHBondContact O-N 3Å; R280-K282 VanDerWaalsContact C-N 3.3Å; R280-K282 PolarHBondContact O-N 3.33Å; R280-I283 PolarHBondContact O-N 3.32Å; R280-I283 VanDerWaalsContact O-N 3.17Å; R280-K284 PolarHBondContact O-N 3.44Å; R280-Y699 HydrophobicContact CG-CD2 3.49Å; R280-Y699 VanDerWaalsContact CG-CD2 3.49Å; R280-Y699 HydrophobicContact CG-CE2 3.33Å; R280-Y699 HydrophobicContact CG-CG 4.2Å; R280-F702 HydrophobicContact CB-CB 3.99Å; R280-F702 WeakPolarHBondContact CD-O 3.49Å; R280-S703 WeakPolarHBondContact CD-OG 3.46Å; R280-S703 PolarHBondContact NH1-OG 2.81Å; R280-S703 VanDerWaalsContact NH1-OG 3.08Å
281	A	98.8	Very high	98	Very high	55 Å²	55	43.9 Å²	43.9	46%	0.455	24%	0.242	S	C	.	.	H	α-helix	trans	-62.2	-37.4	176.2	0	0	0	0	0	111.8	R277 E278 K284 E285	R277-A281 VanDerWaalsContact O-CB 3.29Å; R277-A281 WeakPolarHBondContact O-CB 3.25Å; R277-A281 PolarHBondContact O-N 2.91Å; E278-A281 PolarHBondContact O-N 2.86Å; A281-K284 PolarHBondContact O-N 3.02Å; A281-E285 PolarHBondContact O-N 3.03Å
282	K	98.9	Very high	98.3	Very high	60 Å²	60	47.5 Å²	47.5	26%	0.261	26%	0.262	S	S	.	.	H	α-helix	trans	-60.9	-42.6	172.5	177.9	58.5	-176.6	175.3	0	112	E278 K279 R280 K284 E285 M286 W653 E660	E278-K282 WeakPolarHBondContact O-CB 3.46Å; E278-K282 PolarHBondContact O-N 3Å; K279-K282 WeakPolarHBondContact O-CB 3.41Å; K279-K282 PolarHBondContact O-N 2.9Å; R280-K282 VanDerWaalsContact C-N 3.3Å; R280-K282 PolarHBondContact O-N 3.33Å; K282-K284 PolarHBondContact O-N 2.94Å; K282-E285 IonicContact NZ-OE2 3.98Å; K282-E285 PolarHBondContact NZ-OE2 3.22Å; K282-E285 CarbonylContact O-C 3.55Å; K282-E285 WeakPolarHBondContact O-CA 3.48Å; K282-E285 VanDerWaalsContact O-CB 3.3Å; K282-E285 WeakPolarHBondContact O-CB 3.48Å; K282-E285 PolarHBondContact O-N 3.49Å; K282-M286 HydrophobicContact CG-SD 4.46Å; K282-M286 WeakPolarHBondContact O-CG 3.4Å; K282-M286 PolarHBondContact O-N 3.34Å; K282-W653 HydrophobicContact CB-CH2 4.07Å; K282-W653 HydrophobicContact CB-CZ3 4.48Å; K282-W653 HydrophobicContact CG-CH2 3.97Å; K282-E660 WeakPolarHBondContact CE-OE2 3.23Å; K282-E660 IonicContact NZ-OE2 3.16Å; K282-E660 PolarHBondContact NZ-OE2 2.69Å
283	I	98.9	Very high	98.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.3	-36.1	178.5	-65	152.6	0	0	0	111.5	K279 R280 E285 M286 M287 M335 V656 L695 L698 F702	K279-I283 WeakPolarHBondContact O-CD1 3.48Å; K279-I283 PolarHBondContact O-N 2.96Å; R280-I283 PolarHBondContact O-N 3.32Å; R280-I283 VanDerWaalsContact O-N 3.17Å; I283-E285 VanDerWaalsContact C-N 3.27Å; I283-E285 PolarHBondContact O-N 2.93Å; I283-M286 HydrophobicContact CG1-SD 4.26Å; I283-M286 WeakPolarHBondContact O-CB 3.41Å; I283-M286 PolarHBondContact O-N 3.4Å; I283-M287 PolarHBondContact O-N 3.26Å; I283-M335 HydrophobicContact CG2-CE 4.19Å; I283-V656 HydrophobicContact CD1-CG2 4.34Å; I283-V656 HydrophobicContact CG1-CG2 4.2Å; I283-L695 HydrophobicContact CG2-CD2 4.21Å; I283-L695 WeakPolarHBondContact CG2-O 3.42Å; I283-L698 HydrophobicContact CD1-CB 3.91Å; I283-L698 HydrophobicContact CG1-CB 4.29Å; I283-L698 HydrophobicContact CG2-CB 4.09Å; I283-F702 HydrophobicContact CD1-CD2 3.4Å; I283-F702 VanDerWaalsContact CD1-CD2 3.4Å; I283-F702 HydrophobicContact CD1-CE2 3.97Å; I283-F702 HydrophobicContact CD1-CG 4.34Å
284	K	98.9	Very high	98.6	Very high	43 Å²	43	39.9 Å²	39.9	19%	0.187	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-26.2	170.1	-176	162.2	166.5	165.4	0	112.7	R280 A281 K282 K288 M335 E336 Y699	R280-K284 PolarHBondContact O-N 3.44Å; A281-K284 PolarHBondContact O-N 3.02Å; K282-K284 PolarHBondContact O-N 2.94Å; K284-K288 WeakPolarHBondContact O-CG 3.4Å; K284-K288 PolarHBondContact O-N 3.29Å; K284-M335 HydrophobicContact CB-SD 4.17Å; K284-M335 HydrophobicContact CD-CB 4.37Å; K284-M335 WeakPolarHBondContact CD-O 3.43Å; K284-M335 WeakPolarHBondContact CE-O 3.46Å; K284-M335 HydrophobicContact CG-CB 4.44Å; K284-M335 HydrophobicContact CG-SD 4.45Å; K284-M335 PolarHBondContact NZ-O 3.38Å; K284-E336 IonicContact NZ-OE2 3.27Å; K284-E336 PolarHBondContact NZ-OE2 2.99Å; K284-Y699 HydrophobicContact CB-CE2 4.16Å; K284-Y699 HydrophobicContact CD-CE2 4.25Å
285	E	98.9	Very high	98.7	Very high	72 Å²	72	41 Å²	41	34%	0.336	20%	0.204	S	C	.	.	H	α-helix	trans	-74.6	-41.3	169.1	-170.7	-83.5	135.4	0	0	112.1	A281 K282 I283 M287 K288 H289 R664	A281-E285 PolarHBondContact O-N 3.03Å; K282-E285 IonicContact NZ-OE2 3.98Å; K282-E285 PolarHBondContact NZ-OE2 3.22Å; K282-E285 CarbonylContact O-C 3.55Å; K282-E285 WeakPolarHBondContact O-CA 3.48Å; K282-E285 VanDerWaalsContact O-CB 3.3Å; K282-E285 WeakPolarHBondContact O-CB 3.48Å; K282-E285 PolarHBondContact O-N 3.49Å; I283-E285 VanDerWaalsContact C-N 3.27Å; I283-E285 PolarHBondContact O-N 2.93Å; E285-M287 PolarHBondContact O-N 3.42Å; E285-K288 WeakPolarHBondContact O-CB 3.3Å; E285-K288 PolarHBondContact O-N 3.44Å; E285-K288 VanDerWaalsContact O-N 3.16Å; E285-H289 PolarHBondContact O-N 3.21Å; E285-R664 IonicContact OE1-CZ 2.76Å; E285-R664 IonicContact OE1-NH1 2.74Å; E285-R664 PolarHBondContact OE1-NH1 3.04Å; E285-R664 IonicContact OE1-NH2 2.9Å; E285-R664 PolarHBondContact OE1-NH2 2.87Å; E285-R664 IonicContact OE2-CZ 3.82Å; E285-R664 IonicContact OE2-NH1 3.17Å; E285-R664 PolarHBondContact OE2-NH1 3.12Å; E285-R664 IonicContact OE2-NH2 3.6Å
286	M	98.9	Very high	98.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-44.2	174	-62.1	168.4	73.6	0	0	111.5	K282 I283 K288 H289 A290 V656 L659 E660 Y669 L695	K282-M286 HydrophobicContact CG-SD 4.46Å; K282-M286 WeakPolarHBondContact O-CG 3.4Å; K282-M286 PolarHBondContact O-N 3.34Å; I283-M286 HydrophobicContact CG1-SD 4.26Å; I283-M286 WeakPolarHBondContact O-CB 3.41Å; I283-M286 PolarHBondContact O-N 3.4Å; M286-K288 VanDerWaalsContact C-N 3.35Å; M286-K288 PolarHBondContact O-N 3.26Å; M286-H289 PolarHBondContact O-N 2.96Å; M286-H289 VanDerWaalsContact O-N 3.15Å; M286-A290 PolarHBondContact O-N 2.99Å; M286-V656 HydrophobicContact CE-CG1 4.35Å; M286-V656 HydrophobicContact SD-CG1 3.81Å; M286-L659 HydrophobicContact CE-CB 4.06Å; M286-L659 HydrophobicContact CE-CD1 4.31Å; M286-E660 HydrophobicContact CE-CG 4.16Å; M286-E660 WeakPolarHBondContact CG-OE1 3.37Å; M286-E660 HydrophobicContact SD-CG 4.31Å; M286-Y669 WeakPolarHBondContact CA-OH 3.41Å; M286-Y669 HydrophobicContact CB-CE2 4.49Å; M286-Y669 WeakPolarHBondContact CB-OH 3.45Å; M286-Y669 HydrophobicContact CE-CE1 4.25Å; M286-Y669 WeakPolarHBondContact CG-OH 3.41Å; M286-Y669 WeakPolarHBondContact O-CE2 3.22Å; M286-L695 HydrophobicContact CB-CD2 3.8Å; M286-L695 HydrophobicContact CE-CD2 4.12Å; M286-L695 HydrophobicContact SD-CD2 4.44Å
287	M	98.9	Very high	98.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.4	-43.5	173.4	-176	60.8	179	0	0	111.9	I283 E285 H289 A290 W291 A328 T331 L332 M335 M337 L691 L695	I283-M287 PolarHBondContact O-N 3.26Å; E285-M287 PolarHBondContact O-N 3.42Å; M287-H289 VanDerWaalsContact C-N 3.34Å; M287-H289 PolarHBondContact O-N 3.28Å; M287-A290 PolarHBondContact O-N 2.83Å; M287-W291 VanDerWaalsContact O-CB 3.25Å; M287-W291 WeakPolarHBondContact O-CB 3.35Å; M287-W291 PolarHBondContact O-N 3.45Å; M287-A328 HydrophobicContact CE-CB 4Å; M287-T331 HydrophobicContact CE-CG2 3.61Å; M287-T331 HydrophobicContact CG-CG2 4.33Å; M287-T331 HydrophobicContact SD-CG2 3.84Å; M287-L332 HydrophobicContact CE-CD2 3.65Å; M287-L332 HydrophobicContact CE-CG 3.86Å; M287-M335 HydrophobicContact CB-CE 4.1Å; M287-M335 HydrophobicContact CB-SD 3.67Å; M287-M335 HydrophobicContact CG-CE 4.28Å; M287-M335 HydrophobicContact CG-SD 3.88Å; M287-M337 HydrophobicContact CB-SD 4.27Å; M287-M337 HydrophobicContact CG-CE 4.3Å; M287-M337 HydrophobicContact CG-SD 3.71Å; M287-L691 HydrophobicContact CE-CB 4.12Å; M287-L691 HydrophobicContact CE-CD2 4.01Å; M287-L691 HydrophobicContact CE-CG 4.42Å; M287-L691 HydrophobicContact SD-CB 4.06Å; M287-L691 HydrophobicContact SD-CD2 4.03Å; M287-L691 HydrophobicContact SD-CG 4.05Å; M287-L695 HydrophobicContact CB-CD1 4.06Å; M287-L695 HydrophobicContact SD-CD1 3.91Å
288	K	98.9	Very high	98.8	Very high	83 Å²	83	40.3 Å²	40.3	36%	0.361	21%	0.207	S	C	.	.	H	α-helix	trans	-62.9	-36.9	174.1	-78.6	178.3	176.2	-166.8	0	112.9	K284 E285 M286 N292 M337	K284-K288 WeakPolarHBondContact O-CG 3.4Å; K284-K288 PolarHBondContact O-N 3.29Å; E285-K288 WeakPolarHBondContact O-CB 3.3Å; E285-K288 PolarHBondContact O-N 3.44Å; E285-K288 VanDerWaalsContact O-N 3.16Å; M286-K288 VanDerWaalsContact C-N 3.35Å; M286-K288 PolarHBondContact O-N 3.26Å; K288-N292 WeakPolarHBondContact O-CB 3.47Å; K288-N292 VanDerWaalsContact O-CG 3.26Å; K288-N292 PolarHBondContact O-N 3.12Å; K288-N292 PolarHBondContact O-ND2 2.94Å; K288-M337 HydrophobicContact CB-CE 4.47Å; K288-M337 HydrophobicContact CD-CE 4.45Å; K288-M337 HydrophobicContact CG-CE 3.44Å; K288-M337 VanDerWaalsContact CG-CE 3.44Å; K288-M337 HydrophobicContact CG-SD 3.9Å
289	H	98.9	Very high	98.8	Very high	31 Å²	31	37.8 Å²	37.8	14%	0.144	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-44.9	174.9	-175.9	82.4	0	0	0	112	E285 M286 M287 N293 R664 V665 G668 Y669	E285-H289 PolarHBondContact O-N 3.21Å; M286-H289 PolarHBondContact O-N 2.96Å; M286-H289 VanDerWaalsContact O-N 3.15Å; M287-H289 VanDerWaalsContact C-N 3.34Å; M287-H289 PolarHBondContact O-N 3.28Å; H289-N293 PolarHBondContact O-N 3.2Å; H289-N293 PolarHBondContact O-ND2 3.49Å; H289-R664 VanDerWaalsContact CB-NH2 3.34Å; H289-R664 PolarHBondContact ND1-NH2 3.2Å; H289-V665 PolarHBondContact CE1-O 2.74Å; H289-V665 PolarHBondContact NE2-O 3.5Å; H289-G668 PolarHBondContact NE2-O 2.77Å; H289-G668 VanDerWaalsContact NE2-O 3.14Å; H289-Y669 HydrophobicContact CB-CE2 4.17Å; H289-Y669 AromaticContact CD2-CD2 3.99Å; H289-Y669 AromaticContact CD2-CE2 3.48Å; H289-Y669 VanDerWaalsContact CD2-CE2 3.48Å; H289-Y669 WeakPolarHBondContact CD2-CE2 3.31Å; H289-Y669 AromaticContact CD2-CZ 4Å
290	A	98.9	Very high	98.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-47.4	177.6	0	0	0	0	0	112.3	M286 M287 Y294 Y669 Q686 F690 L691 L695	M286-A290 PolarHBondContact O-N 2.99Å; M287-A290 PolarHBondContact O-N 2.83Å; A290-Y294 WeakPolarHBondContact O-CB 3.4Å; A290-Y294 PolarHBondContact O-N 3.37Å; A290-Y294 VanDerWaalsContact O-N 3.07Å; A290-Y669 HydrophobicContact CB-CD2 3.95Å; A290-Y669 HydrophobicContact CB-CE2 4.12Å; A290-Q686 PolarHBondContact O-NE2 2.84Å; A290-F690 HydrophobicContact CB-CD1 4.44Å; A290-F690 HydrophobicContact CB-CE1 4.34Å; A290-L691 HydrophobicContact CB-CD1 4.25Å; A290-L691 HydrophobicContact CB-CD2 4.14Å; A290-L691 HydrophobicContact CB-CG 4.09Å; A290-L695 HydrophobicContact CB-CD1 4.46Å
291	W	98.9	Very high	98.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-69.7	-46.7	-177.8	-179.2	-105.6	0	0	0	113.2	M287 N293 Y294 K295 W299 I325 A328 L332 A344 L691	M287-W291 VanDerWaalsContact O-CB 3.25Å; M287-W291 WeakPolarHBondContact O-CB 3.35Å; M287-W291 PolarHBondContact O-N 3.45Å; W291-N293 VanDerWaalsContact C-N 3.29Å; W291-N293 PolarHBondContact O-N 3.47Å; W291-Y294 HydrophobicContact CE3-CD1 4.2Å; W291-Y294 HydrophobicContact CZ3-CD1 4.13Å; W291-Y294 HydrophobicContact CZ3-CE1 4.41Å; W291-Y294 WeakPolarHBondContact O-CB 3.49Å; W291-Y294 PolarHBondContact O-N 3.33Å; W291-Y294 VanDerWaalsContact O-N 3.15Å; W291-K295 PolarHBondContact O-N 3.49Å; W291-W299 HydrophobicContact CH2-CH2 4.26Å; W291-W299 AromaticContact CH2-CZ3 3.75Å; W291-W299 HydrophobicContact CH2-CZ3 3.75Å; W291-W299 AromaticContact CZ2-CH2 3.95Å; W291-W299 HydrophobicContact CZ2-CH2 3.95Å; W291-W299 AromaticContact CZ2-CZ3 3.55Å; W291-W299 HydrophobicContact CZ2-CZ3 3.55Å; W291-I325 HydrophobicContact CH2-CG1 4.18Å; W291-A328 HydrophobicContact CE3-CB 4.03Å; W291-A328 HydrophobicContact CZ3-CB 3.69Å; W291-L332 HydrophobicContact CD2-CD1 4.18Å; W291-L332 HydrophobicContact CD2-CD2 4.2Å; W291-L332 HydrophobicContact CE3-CD1 4.17Å; W291-L332 HydrophobicContact CG-CD2 4.26Å; W291-L332 HydrophobicContact CH2-CD1 3.69Å; W291-L332 HydrophobicContact CZ2-CD1 3.69Å; W291-L332 HydrophobicContact CZ3-CD1 3.95Å; W291-A344 HydrophobicContact CH2-CB 4.06Å; W291-A344 HydrophobicContact CZ2-CB 4.21Å; W291-L691 HydrophobicContact CB-CD2 4.47Å; W291-L691 HydrophobicContact CE3-CD2 4.13Å
292	N	98.9	Very high	98.7	Very high	76 Å²	76	36.3 Å²	36.3	41%	0.406	18%	0.18	S	C	.	.	H	α-helix	trans	-66.6	-32.6	-177.8	-73.4	-45.3	0	0	0	112.2	K288 G296	K288-N292 WeakPolarHBondContact O-CB 3.47Å; K288-N292 VanDerWaalsContact O-CG 3.26Å; K288-N292 PolarHBondContact O-N 3.12Å; K288-N292 PolarHBondContact O-ND2 2.94Å; N292-G296 PolarHBondContact O-N 3.13Å
293	N	98.9	Very high	98.7	Very high	20 Å²	20	33.7 Å²	33.7	11%	0.107	17%	0.169	C	C	.	.	H	α-helix	trans	-73.9	-35.8	172.5	-75.7	-71.2	0	0	0	112.5	H289 W291 G296 Y297 L304 N666 G667	H289-N293 PolarHBondContact O-N 3.2Å; H289-N293 PolarHBondContact O-ND2 3.49Å; W291-N293 VanDerWaalsContact C-N 3.29Å; W291-N293 PolarHBondContact O-N 3.47Å; N293-G296 PolarHBondContact O-N 3.38Å; N293-Y297 HydrophobicContact CB-CD2 4.35Å; N293-Y297 HydrophobicContact CB-CE2 4.49Å; N293-Y297 WeakPolarHBondContact O-CD2 3.27Å; N293-Y297 PolarHBondContact O-N 3.28Å; N293-Y297 WeakPolarHBondContact OD1-CE2 3.1Å; N293-L304 HydrophobicContact CB-CD2 4.03Å; N293-N666 PolarHBondContact OD1-O 3.38Å; N293-G667 VanDerWaalsContact CB-O 3.3Å; N293-G667 WeakPolarHBondContact CB-O 3.48Å; N293-G667 VanDerWaalsContact CG-C 3.44Å; N293-G667 WeakPolarHBondContact OD1-CA 3.45Å
294	Y	98.9	Very high	98.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.1	-50.5	169.8	169.8	-93.9	0	0	0	111	A290 W291 G296 Y297 A298 W299 G300 L301 L304 T324 I325	A290-Y294 WeakPolarHBondContact O-CB 3.4Å; A290-Y294 PolarHBondContact O-N 3.37Å; A290-Y294 VanDerWaalsContact O-N 3.07Å; W291-Y294 HydrophobicContact CE3-CD1 4.2Å; W291-Y294 HydrophobicContact CZ3-CD1 4.13Å; W291-Y294 HydrophobicContact CZ3-CE1 4.41Å; W291-Y294 WeakPolarHBondContact O-CB 3.49Å; W291-Y294 PolarHBondContact O-N 3.33Å; W291-Y294 VanDerWaalsContact O-N 3.15Å; Y294-G296 VanDerWaalsContact C-N 3.29Å; Y294-G296 PolarHBondContact O-N 3.46Å; Y294-Y297 PolarHBondContact O-N 2.92Å; Y294-A298 HydrophobicContact CD2-CB 3.76Å; Y294-A298 HydrophobicContact CE2-CB 3.83Å; Y294-A298 VanDerWaalsContact CE2-O 3.27Å; Y294-A298 WeakPolarHBondContact CE2-O 3.28Å; Y294-A298 CarbonylContact O-C 3.59Å; Y294-A298 WeakPolarHBondContact O-CA 3.38Å; Y294-A298 PolarHBondContact O-N 2.93Å; Y294-A298 PolarHBondContact OH-O 3.38Å; Y294-W299 HydrophobicContact CD1-CE3 4.13Å; Y294-W299 HydrophobicContact CD1-CZ3 4.48Å; Y294-W299 AromaticContact CE1-CE3 3.63Å; Y294-W299 HydrophobicContact CE1-CE3 3.63Å; Y294-W299 HydrophobicContact CE1-CZ3 4.06Å; Y294-W299 PolarHBondContact O-N 3.42Å; Y294-W299 VanDerWaalsContact O-N 3.15Å; Y294-G300 PolarHBondContact OH-N 2.84Å; Y294-L301 PolarHBondContact OH-O 3.04Å; Y294-L304 HydrophobicContact CD2-CB 4.2Å; Y294-T324 HydrophobicContact CD1-CG2 4.07Å; Y294-T324 HydrophobicContact CD2-CG2 3.59Å; Y294-T324 HydrophobicContact CE1-CG2 4.37Å; Y294-T324 HydrophobicContact CE2-CG2 3.93Å; Y294-T324 HydrophobicContact CG-CG2 3.7Å; Y294-I325 HydrophobicContact CE1-CD1 4.08Å; Y294-I325 HydrophobicContact CE1-CG1 3.52Å; Y294-I325 WeakPolarHBondContact OH-CD1 3.3Å; Y294-I325 WeakPolarHBondContact OH-CG1 3.35Å
295	K	98.7	Very high	98.7	Very high	67 Å²	67	34 Å²	34	29%	0.291	17%	0.17	S	C	.	.	H	α-helix	trans	-61.7	-35.5	175.9	-172.2	169.3	68.2	176.8	0	112.5	W291 W299 E343	W291-K295 PolarHBondContact O-N 3.49Å; K295-W299 HydrophobicContact CB-CE3 3.94Å; K295-W299 HydrophobicContact CB-CZ3 4.37Å; K295-W299 HydrophobicContact CD-CE3 4.32Å; K295-W299 HydrophobicContact CD-CZ3 4.29Å; K295-W299 HydrophobicContact CG-CD2 4.11Å; K295-W299 HydrophobicContact CG-CE3 3.75Å; K295-W299 HydrophobicContact CG-CZ3 4.2Å; K295-E343 WeakPolarHBondContact CD-OE2 3.44Å; K295-E343 IonicContact NZ-OE1 3.62Å; K295-E343 PolarHBondContact NZ-OE1 2.92Å; K295-E343 IonicContact NZ-OE2 2.93Å; K295-E343 PolarHBondContact NZ-OE2 2.95Å
296	G	98.6	Very high	98.7	Very high	54 Å²	54	30.7 Å²	30.7	56%	0.557	16%	0.155	S	C	*	.	H	α-helix	trans	-71.2	-29.4	179.2	0	0	0	0	0	115.5	N292 N293 Y294	N292-G296 PolarHBondContact O-N 3.13Å; N293-G296 PolarHBondContact O-N 3.38Å; Y294-G296 VanDerWaalsContact C-N 3.29Å; Y294-G296 PolarHBondContact O-N 3.46Å
297	Y	98.7	Very high	98.7	Very high	92 Å²	92	34.6 Å²	34.6	36%	0.361	18%	0.175	S	C	.	.	H	α-helix	trans	-131.6	-12.9	-168.7	-56.4	-51.2	0	0	0	115.8	N293 Y294 L304 K309 G310	N293-Y297 HydrophobicContact CB-CD2 4.35Å; N293-Y297 HydrophobicContact CB-CE2 4.49Å; N293-Y297 WeakPolarHBondContact O-CD2 3.27Å; N293-Y297 PolarHBondContact O-N 3.28Å; N293-Y297 WeakPolarHBondContact OD1-CE2 3.1Å; Y294-Y297 PolarHBondContact O-N 2.92Å; Y297-L304 HydrophobicContact CD2-CD1 4.42Å; Y297-K309 HydrophobicContact CD1-CB 3.95Å; Y297-K309 HydrophobicContact CD2-CB 4.04Å; Y297-K309 HydrophobicContact CD2-CD 4.34Å; Y297-K309 HydrophobicContact CD2-CG 3.97Å; Y297-K309 HydrophobicContact CE1-CB 4.18Å; Y297-K309 HydrophobicContact CE1-CD 4.08Å; Y297-K309 HydrophobicContact CE1-CG 4.46Å; Y297-K309 HydrophobicContact CE2-CB 4.25Å; Y297-K309 HydrophobicContact CE2-CD 3.71Å; Y297-K309 HydrophobicContact CE2-CG 3.83Å; Y297-K309 HydrophobicContact CG-CB 3.89Å; Y297-K309 HydrophobicContact CG-CG 4.34Å; Y297-K309 PolarHBondContact OH-NZ 2.82Å; Y297-G310 CarbonylContact O-C 3.47Å; Y297-G310 WeakPolarHBondContact O-CA 3.19Å
298	A	98.6	Very high	98.6	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.017	20%	0.203	C	C	.	.			trans	-144.1	14.4	-171.1	0	0	0	0	0	114.6	Y294 G300 L301 L304	Y294-A298 HydrophobicContact CD2-CB 3.76Å; Y294-A298 HydrophobicContact CE2-CB 3.83Å; Y294-A298 VanDerWaalsContact CE2-O 3.27Å; Y294-A298 WeakPolarHBondContact CE2-O 3.28Å; Y294-A298 CarbonylContact O-C 3.59Å; Y294-A298 WeakPolarHBondContact O-CA 3.38Å; Y294-A298 PolarHBondContact O-N 2.93Å; Y294-A298 PolarHBondContact OH-O 3.38Å; A298-G300 PolarHBondContact O-N 3.43Å; A298-L301 WeakPolarHBondContact O-CA 3.14Å; A298-L301 VanDerWaalsContact O-CB 3.29Å; A298-L301 WeakPolarHBondContact O-CB 3.47Å; A298-L301 PolarHBondContact O-N 2.87Å; A298-L304 HydrophobicContact CB-CB 4.06Å; A298-L304 HydrophobicContact CB-CD1 3.89Å
299	W	98.6	Very high	98.6	Very high	88 Å²	88	38 Å²	38	33%	0.333	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	125.1	-176.8	-171.5	-115.2	0	0	0	113.4	W291 Y294 K295 L301 I325 E343 W347	W291-W299 HydrophobicContact CH2-CH2 4.26Å; W291-W299 AromaticContact CH2-CZ3 3.75Å; W291-W299 HydrophobicContact CH2-CZ3 3.75Å; W291-W299 AromaticContact CZ2-CH2 3.95Å; W291-W299 HydrophobicContact CZ2-CH2 3.95Å; W291-W299 AromaticContact CZ2-CZ3 3.55Å; W291-W299 HydrophobicContact CZ2-CZ3 3.55Å; Y294-W299 HydrophobicContact CD1-CE3 4.13Å; Y294-W299 HydrophobicContact CD1-CZ3 4.48Å; Y294-W299 AromaticContact CE1-CE3 3.63Å; Y294-W299 HydrophobicContact CE1-CE3 3.63Å; Y294-W299 HydrophobicContact CE1-CZ3 4.06Å; Y294-W299 PolarHBondContact O-N 3.42Å; Y294-W299 VanDerWaalsContact O-N 3.15Å; K295-W299 HydrophobicContact CB-CE3 3.94Å; K295-W299 HydrophobicContact CB-CZ3 4.37Å; K295-W299 HydrophobicContact CD-CE3 4.32Å; K295-W299 HydrophobicContact CD-CZ3 4.29Å; K295-W299 HydrophobicContact CG-CD2 4.11Å; K295-W299 HydrophobicContact CG-CE3 3.75Å; K295-W299 HydrophobicContact CG-CZ3 4.2Å; W299-L301 PolarHBondContact O-N 3.49Å; W299-I325 HydrophobicContact CD2-CD1 4.16Å; W299-I325 HydrophobicContact CE3-CD1 3.94Å; W299-I325 HydrophobicContact CE3-CG1 4.3Å; W299-I325 HydrophobicContact CH2-CD1 4.06Å; W299-I325 HydrophobicContact CH2-CG1 4.37Å; W299-I325 HydrophobicContact CZ2-CD1 4.26Å; W299-I325 HydrophobicContact CZ3-CD1 3.89Å; W299-I325 HydrophobicContact CZ3-CG1 3.97Å; W299-E343 HydrophobicContact CH2-CB 4.25Å; W299-E343 HydrophobicContact CZ2-CB 4.49Å; W299-W347 HydrophobicContact CZ2-CB 3.86Å; W299-W347 HydrophobicContact CZ2-CG 4.22Å; W299-W347 AromaticContact NE1-CD1 3.65Å
300	G	97.7	Very high	98.6	Very high	6 Å²	6	37.7 Å²	37.7	6%	0.062	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	6.6	-177.7	0	0	0	0	0	115	Y294 A298 K321	Y294-G300 PolarHBondContact OH-N 2.84Å; A298-G300 PolarHBondContact O-N 3.43Å; G300-K321 WeakPolarHBondContact O-CB 3.44Å
301	L	98.3	Very high	98.5	Very high	65 Å²	65	39 Å²	39	34%	0.34	22%	0.219	S	C	.	.	S	Bend	trans	-96.9	168.1	164.1	-53.3	178.3	0	0	0	108.9	Y294 A298 W299	Y294-L301 PolarHBondContact OH-O 3.04Å; A298-L301 WeakPolarHBondContact O-CA 3.14Å; A298-L301 VanDerWaalsContact O-CB 3.29Å; A298-L301 WeakPolarHBondContact O-CB 3.47Å; A298-L301 PolarHBondContact O-N 2.87Å; W299-L301 PolarHBondContact O-N 3.49Å
302	N	98.3	Very high	98.4	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	23%	0.232	C	C	.	.	S	Bend	trans	-72	-45.7	-171	-72.3	-33.4	0	0	0	112.5	F317 I320 K321 G322 A323 T324	N302-F317 HydrophobicContact CB-CD2 3.77Å; N302-F317 HydrophobicContact CB-CE2 4.29Å; N302-I320 PolarHBondContact ND2-O 3.49Å; N302-I320 PolarHBondContact OD1-O 2.83Å; N302-K321 WeakPolarHBondContact OD1-CA 3.48Å; N302-G322 PolarHBondContact OD1-N 2.81Å; N302-A323 HydrophobicContact CB-CB 3.92Å; N302-A323 PolarHBondContact OD1-N 3.2Å; N302-T324 VanDerWaalsContact O-CB 3.24Å; N302-T324 WeakPolarHBondContact O-CB 3.31Å; N302-T324 PolarHBondContact O-N 2.84Å; N302-T324 PolarHBondContact O-OG1 3.36Å
303	E	98.7	Very high	98	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.023	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	171.4	-172.3	-67.5	168	108.9	0	0	110.4	G311 H312 S314 Q687	E303-G311 CarbonylContact O-C 3.59Å; E303-G311 WeakPolarHBondContact O-CA 3.45Å; E303-H312 HydrophobicContact CB-CB 3.96Å; E303-H312 PolarHBondContact N-O 2.95Å; E303-H312 PolarHBondContact O-N 2.8Å; E303-H312 IonicContact OE2-CD2 2.79Å; E303-H312 PolarHBondContact OE2-CD2 2.93Å; E303-S314 VanDerWaalsContact OE2-CB 3.31Å; E303-S314 WeakPolarHBondContact OE2-CB 3.47Å; E303-Q687 PolarHBondContact OE1-OE1 2.81Å
304	L	98.8	Very high	97.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.3	-176.8	168.1	70.7	0	0	0	111.4	N293 Y294 Y297 A298 P306 G667 Q686	N293-L304 HydrophobicContact CB-CD2 4.03Å; Y294-L304 HydrophobicContact CD2-CB 4.2Å; Y297-L304 HydrophobicContact CD2-CD1 4.42Å; A298-L304 HydrophobicContact CB-CB 4.06Å; A298-L304 HydrophobicContact CB-CD1 3.89Å; L304-P306 HydrophobicContact CD2-CB 4.42Å; L304-P306 HydrophobicContact CG-CB 4.43Å; L304-P306 WeakPolarHBondContact O-CD 3.27Å; L304-G667 WeakPolarHBondContact CD2-O 3.21Å; L304-Q686 HydrophobicContact CB-CB 4.05Å; L304-Q686 HydrophobicContact CD2-CB 4.28Å; L304-Q686 HydrophobicContact CG-CB 4.36Å; L304-Q686 PolarHBondContact O-N 2.66Å
305	K	98.8	Very high	97.5	Very high	50 Å²	50	46.5 Å²	46.5	22%	0.217	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	96.6	165.9	-61.6	-163	121	-62.9	0	108.7	I307 K309 G310 H312 D684	K305-I307 PolarHBondContact O-N 2.93Å; K305-K309 VanDerWaalsContact O-CA 3.26Å; K305-K309 WeakPolarHBondContact O-CA 3.24Å; K305-K309 PolarHBondContact O-N 3.49Å; K305-G310 WeakPolarHBondContact CB-O 3.41Å; K305-G310 PolarHBondContact N-O 3.31Å; K305-G310 PolarHBondContact O-N 3.5Å; K305-H312 HydrophobicContact CD-CB 4.37Å; K305-H312 HydrophobicContact CG-CB 3.77Å; K305-D684 WeakPolarHBondContact CA-O 3.49Å; K305-D684 WeakPolarHBondContact CB-OD1 3.33Å; K305-D684 VanDerWaalsContact NZ-CG 3.33Å; K305-D684 PolarHBondContact NZ-O 3.47Å; K305-D684 IonicContact NZ-OD2 2.71Å; K305-D684 PolarHBondContact NZ-OD2 2.89Å
306	P	98.7	Very high	97.3	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.013	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-15.5	-164.7	35.5	-41.5	0	0	0	114	L304 V665 G667 Y669 Q686	L304-P306 HydrophobicContact CD2-CB 4.42Å; L304-P306 HydrophobicContact CG-CB 4.43Å; L304-P306 WeakPolarHBondContact O-CD 3.27Å; P306-V665 HydrophobicContact CB-CG2 3.71Å; P306-V665 HydrophobicContact CG-CG2 4.16Å; P306-G667 VanDerWaalsContact CA-O 3.28Å; P306-G667 WeakPolarHBondContact CA-O 3.45Å; P306-G667 VanDerWaalsContact CB-O 3.23Å; P306-G667 WeakPolarHBondContact CB-O 3.3Å; P306-G667 VanDerWaalsContact O-CA 3.26Å; P306-G667 WeakPolarHBondContact O-CA 3.48Å; P306-Y669 WeakPolarHBondContact CG-O 3.37Å; P306-Q686 HydrophobicContact CG-CB 4.5Å
307	I	98.6	Very high	97.1	Very high	83 Å²	83	42.8 Å²	42.8	43%	0.426	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-49.2	172	-43.8	-63.7	0	0	0	109.2	K305 K309 V665 Y682 D684	K305-I307 PolarHBondContact O-N 2.93Å; I307-K309 VanDerWaalsContact C-N 3.3Å; I307-K309 PolarHBondContact O-N 3.2Å; I307-V665 HydrophobicContact CD1-CB 4.09Å; I307-V665 HydrophobicContact CD1-CG1 3.78Å; I307-V665 HydrophobicContact CD1-CG2 3.95Å; I307-Y682 HydrophobicContact CD1-CD1 4.34Å; I307-Y682 HydrophobicContact CD1-CD2 3.72Å; I307-Y682 HydrophobicContact CD1-CE2 4.32Å; I307-Y682 HydrophobicContact CD1-CG 3.72Å; I307-Y682 HydrophobicContact CG1-CG 4.33Å; I307-D684 WeakPolarHBondContact CA-OD1 3.46Å; I307-D684 HydrophobicContact CB-CB 4.14Å; I307-D684 VanDerWaalsContact CB-OD1 3.23Å; I307-D684 WeakPolarHBondContact CB-OD1 3.32Å; I307-D684 HydrophobicContact CG1-CB 3.93Å; I307-D684 PolarHBondContact N-OD1 3.01Å
308	S	98.3	Very high	96.9	Very high	84 Å²	84	39.4 Å²	39.4	59%	0.587	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-14.3	-178	-60.5	0	0	0	0	114	D684	S308-D684 VanDerWaalsContact CB-OD2 3.3Å; S308-D684 WeakPolarHBondContact CB-OD2 3.44Å; S308-D684 PolarHBondContact N-OD1 3.1Å; S308-D684 PolarHBondContact OG-OD2 2.81Å
309	K	98.6	Very high	96.7	Very high	71 Å²	71	44 Å²	44	31%	0.309	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	56.1	-178.7	-65	-175.2	167.3	-153.4	0	113.3	Y297 K305 I307 N666	Y297-K309 HydrophobicContact CD1-CB 3.95Å; Y297-K309 HydrophobicContact CD2-CB 4.04Å; Y297-K309 HydrophobicContact CD2-CD 4.34Å; Y297-K309 HydrophobicContact CD2-CG 3.97Å; Y297-K309 HydrophobicContact CE1-CB 4.18Å; Y297-K309 HydrophobicContact CE1-CD 4.08Å; Y297-K309 HydrophobicContact CE1-CG 4.46Å; Y297-K309 HydrophobicContact CE2-CB 4.25Å; Y297-K309 HydrophobicContact CE2-CD 3.71Å; Y297-K309 HydrophobicContact CE2-CG 3.83Å; Y297-K309 HydrophobicContact CG-CB 3.89Å; Y297-K309 HydrophobicContact CG-CG 4.34Å; Y297-K309 PolarHBondContact OH-NZ 2.82Å; K305-K309 VanDerWaalsContact O-CA 3.26Å; K305-K309 WeakPolarHBondContact O-CA 3.24Å; K305-K309 PolarHBondContact O-N 3.49Å; I307-K309 VanDerWaalsContact C-N 3.3Å; I307-K309 PolarHBondContact O-N 3.2Å; K309-N666 PolarHBondContact NZ-OD1 2.97Å
310	G	97.5	Very high	96.6	Very high	23 Å²	23	40 Å²	40	24%	0.237	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	-176.8	174	0	0	0	0	0	111.8	Y297 K305	Y297-G310 CarbonylContact O-C 3.47Å; Y297-G310 WeakPolarHBondContact O-CA 3.19Å; K305-G310 WeakPolarHBondContact CB-O 3.41Å; K305-G310 PolarHBondContact N-O 3.31Å; K305-G310 PolarHBondContact O-N 3.5Å
311	G	97.3	Very high	96.5	Very high	29 Å²	29	45.2 Å²	45.2	30%	0.299	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	150.5	177.7	0	0	0	0	0	114.5	E303	E303-G311 CarbonylContact O-C 3.59Å; E303-G311 WeakPolarHBondContact O-CA 3.45Å
312	H	96.6	Very high	96.5	Very high	57 Å²	57	42.1 Å²	42.1	26%	0.264	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	146.1	159.6	-172.8	53	0	0	0	109.5	E303 K305	E303-H312 HydrophobicContact CB-CB 3.96Å; E303-H312 PolarHBondContact N-O 2.95Å; E303-H312 PolarHBondContact O-N 2.8Å; E303-H312 IonicContact OE2-CD2 2.79Å; E303-H312 PolarHBondContact OE2-CD2 2.93Å; K305-H312 HydrophobicContact CD-CB 4.37Å; K305-H312 HydrophobicContact CG-CB 3.77Å
313	S	90.9	Very high	96.5	Very high	73 Å²	73	42 Å²	42	51%	0.51	25%	0.249	S	C	.	.			trans	-132.7	90.5	175.2	-65.4	0	0	0	0	107.8
314	S	92.6	Very high	96.5	Very high	22 Å²	22	41.7 Å²	41.7	15%	0.154	25%	0.248	C	C	.	.			trans	-56.8	138.6	170.1	178.9	0	0	0	0	110.8	E303 L316 F317	E303-S314 VanDerWaalsContact OE2-CB 3.31Å; E303-S314 WeakPolarHBondContact OE2-CB 3.47Å; S314-L316 PolarHBondContact O-N 3.34Å; S314-L316 WeakPolarHBondContact OG-CG 3.03Å; S314-L316 PolarHBondContact OG-N 3.02Å; S314-F317 PolarHBondContact O-N 3.07Å
315	S	93.9	Very high	96.5	Very high	100 Å²	100	41.7 Å²	41.7	70%	0.699	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-66.9	-14.4	178.8	51.2	0	0	0	0	113.1	F317 G318	S315-F317 PolarHBondContact O-N 3.22Å; S315-G318 PolarHBondContact O-N 3.48Å; S315-G318 VanDerWaalsContact O-N 3.13Å
316	L	94.9	Very high	96.5	Very high	41 Å²	41	39.3 Å²	39.3	22%	0.215	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-58.6	-32.2	174.5	-59	175.5	0	0	0	112.4	S314 I360 S361 E364 W421	S314-L316 PolarHBondContact O-N 3.34Å; S314-L316 WeakPolarHBondContact OG-CG 3.03Å; S314-L316 PolarHBondContact OG-N 3.02Å; L316-I360 CarbonylContact O-C 3.55Å; L316-I360 WeakPolarHBondContact O-CA 3.39Å; L316-S361 PolarHBondContact O-N 2.76Å; L316-E364 HydrophobicContact CB-CB 4.4Å; L316-E364 HydrophobicContact CB-CG 4.14Å; L316-E364 HydrophobicContact CD1-CG 4.04Å; L316-E364 HydrophobicContact CD2-CG 4.37Å; L316-E364 HydrophobicContact CG-CG 4.39Å; L316-W421 HydrophobicContact CD2-CH2 3.81Å; L316-W421 HydrophobicContact CD2-CZ2 4.28Å
317	F	95.8	Very high	96.5	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-96.7	-2.9	179.9	-44.7	-49	0	0	0	113	N302 S314 S315 N319 I320 A323 I360 E364 V365 R368 F369	N302-F317 HydrophobicContact CB-CD2 3.77Å; N302-F317 HydrophobicContact CB-CE2 4.29Å; S314-F317 PolarHBondContact O-N 3.07Å; S315-F317 PolarHBondContact O-N 3.22Å; F317-N319 PolarHBondContact O-N 3.06Å; F317-I320 WeakPolarHBondContact O-CB 3.47Å; F317-I320 PolarHBondContact O-N 3.29Å; F317-A323 HydrophobicContact CD2-CB 4.16Å; F317-A323 HydrophobicContact CE2-CB 3.98Å; F317-A323 HydrophobicContact CZ-CB 4.27Å; F317-I360 VanDerWaalsContact O-CG2 3.27Å; F317-I360 WeakPolarHBondContact O-CG2 3.28Å; F317-E364 HydrophobicContact CE1-CB 4.14Å; F317-V365 HydrophobicContact CD1-CG2 4.43Å; F317-R368 VanDerWaalsContact CE1-CD 3.44Å; F317-F369 AromaticContact CD1-CE2 3.88Å; F317-F369 HydrophobicContact CD1-CE2 3.88Å; F317-F369 HydrophobicContact CE1-CE2 4.38Å; F317-F369 HydrophobicContact CG-CE2 4.27Å
318	G	93.8	Very high	96.5	Very high	21 Å²	21	35.3 Å²	35.3	22%	0.216	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	-103.1	-179.5	0	0	0	0	0	112.9	S315 E359	S315-G318 PolarHBondContact O-N 3.48Å; S315-G318 VanDerWaalsContact O-N 3.13Å; G318-E359 VanDerWaalsContact CA-O 3.27Å; G318-E359 WeakPolarHBondContact CA-O 3.3Å
319	N	94.4	Very high	96.6	Very high	100 Å²	100	31.3 Å²	31.3	54%	0.535	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	6.1	177	-82.6	-31.5	0	0	0	113.1	F317 V356 A358	F317-N319 PolarHBondContact O-N 3.06Å; N319-V356 HydrophobicContact CB-CB 3.87Å; N319-V356 HydrophobicContact CB-CG1 4.33Å; N319-V356 HydrophobicContact CB-CG2 4.18Å; N319-A358 HydrophobicContact CB-CB 3.76Å
320	I	95.6	Very high	96.6	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	17%	0.174	C	C	.	.			trans	-65.3	150.9	166.8	-55.2	178.9	0	0	0	107.7	N302 F317 L352 F354 V356 I360 V365 F369 M413	N302-I320 PolarHBondContact ND2-O 3.49Å; N302-I320 PolarHBondContact OD1-O 2.83Å; F317-I320 WeakPolarHBondContact O-CB 3.47Å; F317-I320 PolarHBondContact O-N 3.29Å; I320-L352 HydrophobicContact CG2-CD1 4.29Å; I320-F354 HydrophobicContact CG2-CD1 4.47Å; I320-V356 HydrophobicContact CG1-CG2 3.81Å; I320-I360 HydrophobicContact CD1-CG2 3.98Å; I320-I360 HydrophobicContact CG1-CG2 4.2Å; I320-V365 HydrophobicContact CD1-CG1 4.07Å; I320-V365 HydrophobicContact CD1-CG2 4.12Å; I320-F369 HydrophobicContact CB-CZ 4.48Å; I320-F369 HydrophobicContact CG2-CD1 4.16Å; I320-F369 HydrophobicContact CG2-CE1 3.54Å; I320-F369 HydrophobicContact CG2-CE2 4.25Å; I320-F369 HydrophobicContact CG2-CZ 3.58Å; I320-M413 HydrophobicContact CD1-CE 4.32Å
321	K	96.5	Very high	96.6	Very high	116 Å²	116	26.8 Å²	26.8	50%	0.504	16%	0.163	S	C	.	.			trans	-121.2	157.7	-174.5	-75.9	-175.8	177.8	-176.6	0	111.7	G300 N302 W347 L352 F369	G300-K321 WeakPolarHBondContact O-CB 3.44Å; N302-K321 WeakPolarHBondContact OD1-CA 3.48Å; K321-W347 HydrophobicContact CB-CH2 3.84Å; K321-W347 HydrophobicContact CB-CZ2 3.98Å; K321-W347 WeakPolarHBondContact O-CH2 3.48Å; K321-L352 WeakPolarHBondContact O-CD1 3.47Å; K321-F369 WeakPolarHBondContact O-CE1 3.39Å
322	G	97.9	Very high	96.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.148	C	C	.	.			trans	74.1	30.2	167	0	0	0	0	0	115.6	N302 T324 I325 V326	N302-G322 PolarHBondContact OD1-N 2.81Å; G322-T324 PolarHBondContact O-N 2.62Å; G322-I325 WeakPolarHBondContact O-CA 3.42Å; G322-I325 WeakPolarHBondContact O-CB 3.42Å; G322-I325 PolarHBondContact O-N 3.11Å; G322-V326 PolarHBondContact O-N 2.97Å
323	A	98.6	Very high	96.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-47.9	-56.5	173.6	0	0	0	0	0	111.8	N302 F317 I325 V326 D327 F369	N302-A323 HydrophobicContact CB-CB 3.92Å; N302-A323 PolarHBondContact OD1-N 3.2Å; F317-A323 HydrophobicContact CD2-CB 4.16Å; F317-A323 HydrophobicContact CE2-CB 3.98Å; F317-A323 HydrophobicContact CZ-CB 4.27Å; A323-I325 PolarHBondContact O-N 2.97Å; A323-V326 PolarHBondContact O-N 2.85Å; A323-D327 VanDerWaalsContact O-CB 3.26Å; A323-D327 WeakPolarHBondContact O-CB 3.31Å; A323-D327 PolarHBondContact O-N 3.16Å; A323-D327 VanDerWaalsContact O-OD1 3.05Å; A323-F369 VanDerWaalsContact CA-CZ 3.44Å; A323-F369 HydrophobicContact CB-CE2 3.81Å; A323-F369 HydrophobicContact CB-CZ 3.67Å
324	T	98.9	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.6	-20.8	176.2	-61.6	0	0	0	0	114.2	Y294 N302 G322 A328 S688 L691	Y294-T324 HydrophobicContact CD1-CG2 4.07Å; Y294-T324 HydrophobicContact CD2-CG2 3.59Å; Y294-T324 HydrophobicContact CE1-CG2 4.37Å; Y294-T324 HydrophobicContact CE2-CG2 3.93Å; Y294-T324 HydrophobicContact CG-CG2 3.7Å; N302-T324 VanDerWaalsContact O-CB 3.24Å; N302-T324 WeakPolarHBondContact O-CB 3.31Å; N302-T324 PolarHBondContact O-N 2.84Å; N302-T324 PolarHBondContact O-OG1 3.36Å; G322-T324 PolarHBondContact O-N 2.62Å; T324-A328 WeakPolarHBondContact O-CB 3.32Å; T324-A328 PolarHBondContact O-N 3.31Å; T324-S688 WeakPolarHBondContact OG1-CB 3.49Å; T324-L691 HydrophobicContact CG2-CD1 4.19Å; T324-L691 HydrophobicContact CG2-CD2 4.02Å
325	I	98.9	Very high	97.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-74.1	-51.9	171.9	-67.7	172.7	0	0	0	109.9	W291 Y294 W299 G322 A323 A328 L329 A344 W347 V348	W291-I325 HydrophobicContact CH2-CG1 4.18Å; Y294-I325 HydrophobicContact CE1-CD1 4.08Å; Y294-I325 HydrophobicContact CE1-CG1 3.52Å; Y294-I325 WeakPolarHBondContact OH-CD1 3.3Å; Y294-I325 WeakPolarHBondContact OH-CG1 3.35Å; W299-I325 HydrophobicContact CD2-CD1 4.16Å; W299-I325 HydrophobicContact CE3-CD1 3.94Å; W299-I325 HydrophobicContact CE3-CG1 4.3Å; W299-I325 HydrophobicContact CH2-CD1 4.06Å; W299-I325 HydrophobicContact CH2-CG1 4.37Å; W299-I325 HydrophobicContact CZ2-CD1 4.26Å; W299-I325 HydrophobicContact CZ3-CD1 3.89Å; W299-I325 HydrophobicContact CZ3-CG1 3.97Å; G322-I325 WeakPolarHBondContact O-CA 3.42Å; G322-I325 WeakPolarHBondContact O-CB 3.42Å; G322-I325 PolarHBondContact O-N 3.11Å; A323-I325 PolarHBondContact O-N 2.97Å; I325-A328 PolarHBondContact O-N 3.38Å; I325-L329 WeakPolarHBondContact O-CG 3.49Å; I325-L329 PolarHBondContact O-N 3.23Å; I325-A344 HydrophobicContact CG2-CB 3.77Å; I325-W347 HydrophobicContact CB-CE3 4.24Å; I325-W347 HydrophobicContact CD1-CB 4.39Å; I325-W347 HydrophobicContact CD1-CD2 3.45Å; I325-W347 VanDerWaalsContact CD1-CD2 3.45Å; I325-W347 HydrophobicContact CD1-CE3 3.68Å; I325-W347 HydrophobicContact CD1-CG 3.75Å; I325-W347 HydrophobicContact CD1-CZ2 4.46Å; I325-W347 HydrophobicContact CD1-CZ3 4.29Å; I325-W347 HydrophobicContact CG2-CE3 3.89Å; I325-V348 HydrophobicContact CG2-CG2 4.19Å
326	V	98.9	Very high	97.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.2	-46.1	-177	177.8	0	0	0	0	111	G322 A323 A328 L329 V348 L352 F369 L373	G322-V326 PolarHBondContact O-N 2.97Å; A323-V326 PolarHBondContact O-N 2.85Å; V326-A328 PolarHBondContact O-N 3.44Å; V326-L329 HydrophobicContact CG1-CD1 4.38Å; V326-L329 WeakPolarHBondContact O-CB 3.49Å; V326-L329 WeakPolarHBondContact O-CG 3.26Å; V326-L329 PolarHBondContact O-N 3.13Å; V326-L329 VanDerWaalsContact O-N 3.12Å; V326-V348 HydrophobicContact CG2-CG2 4.18Å; V326-L352 HydrophobicContact CG2-CD2 4.06Å; V326-F369 HydrophobicContact CB-CD1 4.18Å; V326-F369 HydrophobicContact CB-CE1 4.49Å; V326-F369 HydrophobicContact CG1-CD1 4.31Å; V326-F369 HydrophobicContact CG2-CD1 3.94Å; V326-F369 HydrophobicContact CG2-CE1 4.12Å; V326-L373 HydrophobicContact CG1-CD2 4.16Å; V326-L373 HydrophobicContact CG1-CG 3.83Å
327	D	98.8	Very high	97.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.2	-178.5	-57.9	5.2	0	0	0	112.2	A323 R368 S688 A692 H720	A323-D327 VanDerWaalsContact O-CB 3.26Å; A323-D327 WeakPolarHBondContact O-CB 3.31Å; A323-D327 PolarHBondContact O-N 3.16Å; A323-D327 VanDerWaalsContact O-OD1 3.05Å; D327-R368 WeakPolarHBondContact OD1-CB 3.35Å; D327-R368 IonicContact OD2-NH1 3.76Å; D327-S688 WeakPolarHBondContact OD2-CB 3.39Å; D327-S688 PolarHBondContact OD2-OG 3.04Å; D327-A692 HydrophobicContact CB-CB 3.95Å; D327-A692 VanDerWaalsContact O-CA 3.28Å; D327-A692 WeakPolarHBondContact O-CA 3.38Å; D327-A692 WeakPolarHBondContact O-CB 3.33Å; D327-H720 PolarHBondContact O-CE1 2.99Å
328	A	98.9	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-11.9	175.9	0	0	0	0	0	114.2	M287 W291 T324 I325 V326 D330 T331 L332 L691	M287-A328 HydrophobicContact CE-CB 4Å; W291-A328 HydrophobicContact CE3-CB 4.03Å; W291-A328 HydrophobicContact CZ3-CB 3.69Å; T324-A328 WeakPolarHBondContact O-CB 3.32Å; T324-A328 PolarHBondContact O-N 3.31Å; I325-A328 PolarHBondContact O-N 3.38Å; V326-A328 PolarHBondContact O-N 3.44Å; A328-D330 PolarHBondContact O-N 3.09Å; A328-T331 PolarHBondContact O-N 2.79Å; A328-L332 HydrophobicContact CB-CD1 4.09Å; A328-L332 HydrophobicContact CB-CG 4.25Å; A328-L332 WeakPolarHBondContact O-CB 3.41Å; A328-L332 WeakPolarHBondContact O-CG 3.44Å; A328-L332 PolarHBondContact O-N 3.4Å; A328-L691 HydrophobicContact CB-CB 4.32Å; A328-L691 HydrophobicContact CB-CD2 4.38Å
329	L	98.9	Very high	98.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-54.3	-50.9	-170.4	-77.2	168.9	0	0	0	112.9	I325 V326 F333 F341 A344 L373 A376 F385	I325-L329 WeakPolarHBondContact O-CG 3.49Å; I325-L329 PolarHBondContact O-N 3.23Å; V326-L329 HydrophobicContact CG1-CD1 4.38Å; V326-L329 WeakPolarHBondContact O-CB 3.49Å; V326-L329 WeakPolarHBondContact O-CG 3.26Å; V326-L329 PolarHBondContact O-N 3.13Å; V326-L329 VanDerWaalsContact O-N 3.12Å; L329-F333 WeakPolarHBondContact O-CB 3.33Å; L329-F333 PolarHBondContact O-N 3.16Å; L329-F341 HydrophobicContact CB-CE2 4.24Å; L329-F341 HydrophobicContact CD2-CD2 4.16Å; L329-F341 HydrophobicContact CD2-CE2 4.04Å; L329-F341 VanDerWaalsContact O-CD2 3.25Å; L329-F341 WeakPolarHBondContact O-CD2 3.41Å; L329-F341 WeakPolarHBondContact O-CE2 3.31Å; L329-A344 HydrophobicContact CD2-CB 3.64Å; L329-L373 HydrophobicContact CD1-CD2 4.37Å; L329-A376 HydrophobicContact CB-CB 3.81Å; L329-A376 HydrophobicContact CD1-CB 3.7Å; L329-A376 HydrophobicContact CG-CB 4.31Å; L329-F385 HydrophobicContact CD1-CD1 3.91Å; L329-F385 HydrophobicContact CD1-CE1 3.54Å; L329-F385 HydrophobicContact CD1-CZ 4.19Å; L329-F385 HydrophobicContact CD2-CE1 3.92Å; L329-F385 HydrophobicContact CD2-CZ 3.92Å; L329-F385 HydrophobicContact CG-CE1 4.39Å
330	D	98.7	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-73.5	-37.1	-178.6	61.1	-5.5	0	0	0	112.4	A328 L332 F333 I334 L379 K696 H720 L721	A328-D330 PolarHBondContact O-N 3.09Å; D330-L332 PolarHBondContact O-N 3.39Å; D330-F333 WeakPolarHBondContact O-CB 3.41Å; D330-F333 PolarHBondContact O-N 3.2Å; D330-I334 WeakPolarHBondContact O-CG1 3.4Å; D330-I334 WeakPolarHBondContact O-CG2 3.19Å; D330-I334 PolarHBondContact O-N 2.89Å; D330-L379 HydrophobicContact CB-CD1 3.48Å; D330-L379 VanDerWaalsContact CB-CD1 3.48Å; D330-K696 VanDerWaalsContact OD1-CE 3.27Å; D330-K696 WeakPolarHBondContact OD1-CE 3.5Å; D330-K696 IonicContact OD1-NZ 2.87Å; D330-K696 PolarHBondContact OD1-NZ 3.26Å; D330-K696 IonicContact OD2-NZ 2.79Å; D330-K696 PolarHBondContact OD2-NZ 3.37Å; D330-H720 VanDerWaalsContact CG-ND1 3.3Å; D330-H720 IonicContact OD1-CE1 3.73Å; D330-H720 PolarHBondContact OD1-CE1 3.36Å; D330-H720 IonicContact OD1-ND1 3.96Å; D330-H720 PolarHBondContact OD1-ND1 3.35Å; D330-H720 WeakPolarHBondContact OD2-CA 3.3Å; D330-H720 IonicContact OD2-CE1 3.85Å; D330-H720 IonicContact OD2-CG 3.39Å; D330-H720 IonicContact OD2-ND1 3.66Å; D330-H720 PolarHBondContact OD2-ND1 2.96Å; D330-L721 HydrophobicContact CB-CD1 4.25Å
331	T	98.9	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.2	-47.5	170.6	-54.7	0	0	0	0	111.7	M287 A328 F333 I334 M335 L691 K696	M287-T331 HydrophobicContact CE-CG2 3.61Å; M287-T331 HydrophobicContact CG-CG2 4.33Å; M287-T331 HydrophobicContact SD-CG2 3.84Å; A328-T331 PolarHBondContact O-N 2.79Å; T331-F333 VanDerWaalsContact C-N 3.31Å; T331-F333 PolarHBondContact O-N 3.48Å; T331-I334 PolarHBondContact O-N 3.33Å; T331-M335 HydrophobicContact CG2-CE 3.55Å; T331-M335 HydrophobicContact CG2-CG 4.34Å; T331-M335 HydrophobicContact CG2-SD 4.37Å; T331-M335 VanDerWaalsContact O-CB 3.32Å; T331-M335 WeakPolarHBondContact O-CB 3.28Å; T331-M335 VanDerWaalsContact O-CG 3.31Å; T331-M335 WeakPolarHBondContact O-CG 3.45Å; T331-M335 PolarHBondContact O-N 2.78Å; T331-L691 WeakPolarHBondContact CB-O 3.36Å; T331-L691 WeakPolarHBondContact CG2-O 3.27Å; T331-L691 PolarHBondContact OG1-O 2.97Å; T331-K696 HydrophobicContact CG2-CB 4.47Å; T331-K696 WeakPolarHBondContact OG1-CE 3.44Å
332	L	98.8	Very high	98.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.6	-41.6	176.9	-69.3	170.3	0	0	0	111.1	M287 W291 A328 D330 E336 M337 E340 F341 A344	M287-L332 HydrophobicContact CE-CD2 3.65Å; M287-L332 HydrophobicContact CE-CG 3.86Å; W291-L332 HydrophobicContact CD2-CD1 4.18Å; W291-L332 HydrophobicContact CD2-CD2 4.2Å; W291-L332 HydrophobicContact CE3-CD1 4.17Å; W291-L332 HydrophobicContact CG-CD2 4.26Å; W291-L332 HydrophobicContact CH2-CD1 3.69Å; W291-L332 HydrophobicContact CZ2-CD1 3.69Å; W291-L332 HydrophobicContact CZ3-CD1 3.95Å; A328-L332 HydrophobicContact CB-CD1 4.09Å; A328-L332 HydrophobicContact CB-CG 4.25Å; A328-L332 WeakPolarHBondContact O-CB 3.41Å; A328-L332 WeakPolarHBondContact O-CG 3.44Å; A328-L332 PolarHBondContact O-N 3.4Å; D330-L332 PolarHBondContact O-N 3.39Å; L332-E336 PolarHBondContact O-N 3.45Å; L332-M337 HydrophobicContact CB-CB 4.3Å; L332-M337 HydrophobicContact CD2-CB 3.82Å; L332-M337 HydrophobicContact CD2-CE 3.51Å; L332-M337 HydrophobicContact CD2-CG 4.46Å; L332-M337 HydrophobicContact CD2-SD 3.94Å; L332-M337 WeakPolarHBondContact O-CB 3.49Å; L332-M337 PolarHBondContact O-N 2.72Å; L332-E340 HydrophobicContact CD1-CB 4.42Å; L332-E340 HydrophobicContact CD2-CB 3.88Å; L332-F341 HydrophobicContact CB-CB 4.36Å; L332-A344 HydrophobicContact CD1-CB 4.49Å
333	F	98.5	Very high	98.6	Very high	55 Å²	55	29.1 Å²	29.1	24%	0.241	14%	0.137	C	C	.	.	H	α-helix	trans	-62.5	-53.3	177.8	-168.6	-83	0	0	0	112.2	L329 D330 T331 M335 E336 F341 L379	L329-F333 WeakPolarHBondContact O-CB 3.33Å; L329-F333 PolarHBondContact O-N 3.16Å; D330-F333 WeakPolarHBondContact O-CB 3.41Å; D330-F333 PolarHBondContact O-N 3.2Å; T331-F333 VanDerWaalsContact C-N 3.31Å; T331-F333 PolarHBondContact O-N 3.48Å; F333-M335 VanDerWaalsContact C-N 3.32Å; F333-M335 PolarHBondContact O-N 3.4Å; F333-E336 WeakPolarHBondContact O-CA 3.38Å; F333-E336 PolarHBondContact O-N 3.26Å; F333-F341 HydrophobicContact CB-CD2 4.06Å; F333-F341 HydrophobicContact CB-CE2 4.09Å; F333-F341 HydrophobicContact CD2-CD1 4.47Å; F333-F341 HydrophobicContact CD2-CD2 4.26Å; F333-F341 HydrophobicContact CD2-CE1 4.19Å; F333-F341 AromaticContact CD2-CE2 3.96Å; F333-F341 HydrophobicContact CD2-CE2 3.96Å; F333-F341 HydrophobicContact CD2-CG 4.49Å; F333-F341 AromaticContact CD2-CZ 3.91Å; F333-F341 HydrophobicContact CD2-CZ 3.91Å; F333-L379 HydrophobicContact CB-CD1 4.37Å; F333-L379 HydrophobicContact CD1-CB 3.8Å; F333-L379 HydrophobicContact CD1-CD1 4.14Å; F333-L379 HydrophobicContact CD1-CD2 4.47Å; F333-L379 HydrophobicContact CD1-CG 4.37Å; F333-L379 HydrophobicContact CD2-CB 4.46Å; F333-L379 HydrophobicContact CE1-CB 3.87Å; F333-L379 HydrophobicContact CG-CB 4.12Å; F333-L379 HydrophobicContact CG-CD1 4.42Å; F333-L379 HydrophobicContact CZ-CB 4.23Å; F333-L379 WeakPolarHBondContact CZ-O 3.18Å
334	I	98	Very high	98.6	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-72.3	-26	-175.3	72.1	167	0	0	0	112.7	D330 T331 E336 L379 K696 L700 L708 L721	D330-I334 WeakPolarHBondContact O-CG1 3.4Å; D330-I334 WeakPolarHBondContact O-CG2 3.19Å; D330-I334 PolarHBondContact O-N 2.89Å; T331-I334 PolarHBondContact O-N 3.33Å; I334-E336 PolarHBondContact O-N 2.86Å; I334-L379 HydrophobicContact CG2-CD1 4.07Å; I334-K696 HydrophobicContact CD1-CG 3.92Å; I334-L700 HydrophobicContact CD1-CD2 4.42Å; I334-L708 HydrophobicContact CB-CD1 4.26Å; I334-L708 HydrophobicContact CD1-CD1 3.73Å; I334-L708 HydrophobicContact CG2-CD1 3.69Å; I334-L708 HydrophobicContact CG2-CD2 4.32Å; I334-L708 HydrophobicContact CG2-CG 4.49Å; I334-L721 HydrophobicContact CG2-CD1 4.36Å
335	M	98.4	Very high	98.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	7.6	168.9	-63.7	-155.6	-161.9	0	0	112.7	I283 K284 M287 T331 F333 M337 L695 Y699	I283-M335 HydrophobicContact CG2-CE 4.19Å; K284-M335 HydrophobicContact CB-SD 4.17Å; K284-M335 HydrophobicContact CD-CB 4.37Å; K284-M335 WeakPolarHBondContact CD-O 3.43Å; K284-M335 WeakPolarHBondContact CE-O 3.46Å; K284-M335 HydrophobicContact CG-CB 4.44Å; K284-M335 HydrophobicContact CG-SD 4.45Å; K284-M335 PolarHBondContact NZ-O 3.38Å; M287-M335 HydrophobicContact CB-CE 4.1Å; M287-M335 HydrophobicContact CB-SD 3.67Å; M287-M335 HydrophobicContact CG-CE 4.28Å; M287-M335 HydrophobicContact CG-SD 3.88Å; T331-M335 HydrophobicContact CG2-CE 3.55Å; T331-M335 HydrophobicContact CG2-CG 4.34Å; T331-M335 HydrophobicContact CG2-SD 4.37Å; T331-M335 VanDerWaalsContact O-CB 3.32Å; T331-M335 WeakPolarHBondContact O-CB 3.28Å; T331-M335 VanDerWaalsContact O-CG 3.31Å; T331-M335 WeakPolarHBondContact O-CG 3.45Å; T331-M335 PolarHBondContact O-N 2.78Å; F333-M335 VanDerWaalsContact C-N 3.32Å; F333-M335 PolarHBondContact O-N 3.4Å; M335-M337 HydrophobicContact CB-CG 4.22Å; M335-M337 HydrophobicContact CB-SD 4.3Å; M335-M337 PolarHBondContact O-N 2.7Å; M335-L695 HydrophobicContact CE-CB 4.15Å; M335-L695 WeakPolarHBondContact CE-O 3.35Å; M335-Y699 HydrophobicContact CB-CE2 4.49Å; M335-Y699 HydrophobicContact CE-CD2 4.04Å; M335-Y699 HydrophobicContact CE-CG 3.91Å; M335-Y699 HydrophobicContact CG-CD1 4.09Å; M335-Y699 HydrophobicContact CG-CD2 3.86Å; M335-Y699 HydrophobicContact CG-CE1 4.16Å; M335-Y699 HydrophobicContact CG-CE2 3.95Å; M335-Y699 HydrophobicContact CG-CG 3.95Å; M335-Y699 HydrophobicContact SD-CD2 3.83Å; M335-Y699 HydrophobicContact SD-CE2 4.26Å; M335-Y699 HydrophobicContact SD-CG 4.2Å
336	E	97.6	Very high	98.5	Very high	89 Å²	89	32.8 Å²	32.8	42%	0.416	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	29.3	-178.7	-44.8	174.4	98.3	0	0	115	K284 L332 F333 I334 K338	K284-E336 IonicContact NZ-OE2 3.27Å; K284-E336 PolarHBondContact NZ-OE2 2.99Å; L332-E336 PolarHBondContact O-N 3.45Å; F333-E336 WeakPolarHBondContact O-CA 3.38Å; F333-E336 PolarHBondContact O-N 3.26Å; I334-E336 PolarHBondContact O-N 2.86Å; E336-K338 PolarHBondContact O-N 3.25Å
337	M	98.6	Very high	98.5	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	16%	0.163	C	C	.	.			trans	-80.8	61.2	174.7	-66.7	179	55.1	0	0	109.2	M287 K288 L332 M335 N339 E340 F341	M287-M337 HydrophobicContact CB-SD 4.27Å; M287-M337 HydrophobicContact CG-CE 4.3Å; M287-M337 HydrophobicContact CG-SD 3.71Å; K288-M337 HydrophobicContact CB-CE 4.47Å; K288-M337 HydrophobicContact CD-CE 4.45Å; K288-M337 HydrophobicContact CG-CE 3.44Å; K288-M337 VanDerWaalsContact CG-CE 3.44Å; K288-M337 HydrophobicContact CG-SD 3.9Å; L332-M337 HydrophobicContact CB-CB 4.3Å; L332-M337 HydrophobicContact CD2-CB 3.82Å; L332-M337 HydrophobicContact CD2-CE 3.51Å; L332-M337 HydrophobicContact CD2-CG 4.46Å; L332-M337 HydrophobicContact CD2-SD 3.94Å; L332-M337 WeakPolarHBondContact O-CB 3.49Å; L332-M337 PolarHBondContact O-N 2.72Å; M335-M337 HydrophobicContact CB-CG 4.22Å; M335-M337 HydrophobicContact CB-SD 4.3Å; M335-M337 PolarHBondContact O-N 2.7Å; M337-N339 PolarHBondContact O-N 3.45Å; M337-E340 VanDerWaalsContact C-OE2 3.27Å; M337-E340 WeakPolarHBondContact CA-OE2 3.21Å; M337-E340 HydrophobicContact CB-CB 4.08Å; M337-E340 HydrophobicContact CB-CG 4.31Å; M337-E340 HydrophobicContact CE-CB 4.3Å; M337-E340 HydrophobicContact CE-CG 3.86Å; M337-E340 WeakPolarHBondContact CE-OE1 3.16Å; M337-E340 WeakPolarHBondContact O-CB 3.5Å; M337-E340 PolarHBondContact O-N 3.22Å; M337-F341 PolarHBondContact O-N 3.19Å
338	K	97.5	Very high	98.5	Very high	138 Å²	138	33.5 Å²	33.5	60%	0.6	16%	0.163	S	C	*	.	H	α-helix	trans	-65.3	-35.3	-166.6	-62.2	-174	-176.8	-177.2	0	113.1	E336 F341 E342	E336-K338 PolarHBondContact O-N 3.25Å; K338-F341 PolarHBondContact O-N 2.88Å; K338-E342 WeakPolarHBondContact O-CG 3.35Å; K338-E342 PolarHBondContact O-N 3.45Å
339	N	98.5	Very high	98.5	Very high	130 Å²	130	39.4 Å²	39.4	70%	0.695	19%	0.191	S	C	*	.	H	α-helix	trans	-68.1	-43.5	176.9	-64.1	-10	0	0	0	110.5	M337 F341 E342 E343	M337-N339 PolarHBondContact O-N 3.45Å; N339-F341 VanDerWaalsContact C-N 3.33Å; N339-E342 PolarHBondContact O-N 3.39Å; N339-E343 WeakPolarHBondContact O-CG 3.37Å; N339-E343 PolarHBondContact O-N 3.08Å
340	E	98.8	Very high	98.4	Very high	26 Å²	26	47 Å²	47	12%	0.121	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-35.5	177	-60.7	93.8	143.1	0	0	112	L332 M337 A344	L332-E340 HydrophobicContact CD1-CB 4.42Å; L332-E340 HydrophobicContact CD2-CB 3.88Å; M337-E340 VanDerWaalsContact C-OE2 3.27Å; M337-E340 WeakPolarHBondContact CA-OE2 3.21Å; M337-E340 HydrophobicContact CB-CB 4.08Å; M337-E340 HydrophobicContact CB-CG 4.31Å; M337-E340 HydrophobicContact CE-CB 4.3Å; M337-E340 HydrophobicContact CE-CG 3.86Å; M337-E340 WeakPolarHBondContact CE-OE1 3.16Å; M337-E340 WeakPolarHBondContact O-CB 3.5Å; M337-E340 PolarHBondContact O-N 3.22Å; E340-A344 WeakPolarHBondContact O-CB 3.48Å; E340-A344 PolarHBondContact O-N 3.42Å; E340-A344 VanDerWaalsContact O-N 3.12Å
341	F	98.8	Very high	98.3	Very high	8 Å²	8	50.8 Å²	50.8	4%	0.035	25%	0.246	C	C	.	.	H	α-helix	trans	-66.6	-43.8	171.9	-178.3	-93.8	0	0	0	112.6	L329 L332 F333 M337 K338 N339 A344 K345 F385	L329-F341 HydrophobicContact CB-CE2 4.24Å; L329-F341 HydrophobicContact CD2-CD2 4.16Å; L329-F341 HydrophobicContact CD2-CE2 4.04Å; L329-F341 VanDerWaalsContact O-CD2 3.25Å; L329-F341 WeakPolarHBondContact O-CD2 3.41Å; L329-F341 WeakPolarHBondContact O-CE2 3.31Å; L332-F341 HydrophobicContact CB-CB 4.36Å; F333-F341 HydrophobicContact CB-CD2 4.06Å; F333-F341 HydrophobicContact CB-CE2 4.09Å; F333-F341 HydrophobicContact CD2-CD1 4.47Å; F333-F341 HydrophobicContact CD2-CD2 4.26Å; F333-F341 HydrophobicContact CD2-CE1 4.19Å; F333-F341 AromaticContact CD2-CE2 3.96Å; F333-F341 HydrophobicContact CD2-CE2 3.96Å; F333-F341 HydrophobicContact CD2-CG 4.49Å; F333-F341 AromaticContact CD2-CZ 3.91Å; F333-F341 HydrophobicContact CD2-CZ 3.91Å; M337-F341 PolarHBondContact O-N 3.19Å; K338-F341 PolarHBondContact O-N 2.88Å; N339-F341 VanDerWaalsContact C-N 3.33Å; F341-A344 WeakPolarHBondContact O-CB 3.23Å; F341-A344 PolarHBondContact O-N 3.11Å; F341-K345 WeakPolarHBondContact O-CB 3.38Å; F341-K345 PolarHBondContact O-N 3.31Å; F341-F385 HydrophobicContact CE1-CE2 4.25Å; F341-F385 HydrophobicContact CE1-CZ 4.44Å; F341-F385 HydrophobicContact CE2-CE2 4.44Å; F341-F385 HydrophobicContact CE2-CZ 4.4Å; F341-F385 AromaticContact CZ-CE2 3.64Å; F341-F385 HydrophobicContact CZ-CE2 3.64Å; F341-F385 AromaticContact CZ-CZ 3.91Å; F341-F385 HydrophobicContact CZ-CZ 3.91Å
342	E	98.6	Very high	98.3	Very high	88 Å²	88	50.9 Å²	50.9	41%	0.411	25%	0.247	S	C	.	.	H	α-helix	trans	-64.5	-42.1	177.1	-71.4	-62.5	105.2	0	0	111.9	K338 N339 A344 K345 S346	K338-E342 WeakPolarHBondContact O-CG 3.35Å; K338-E342 PolarHBondContact O-N 3.45Å; N339-E342 PolarHBondContact O-N 3.39Å; E342-A344 VanDerWaalsContact C-N 3.3Å; E342-A344 PolarHBondContact O-N 2.94Å; E342-K345 PolarHBondContact O-N 2.97Å; E342-K345 WeakPolarHBondContact OE1-CE 3.12Å; E342-K345 IonicContact OE1-NZ 2.84Å; E342-K345 PolarHBondContact OE1-NZ 3.05Å; E342-K345 WeakPolarHBondContact OE2-CE 3.19Å; E342-K345 IonicContact OE2-NZ 3.15Å; E342-K345 PolarHBondContact OE2-NZ 3.46Å; E342-S346 PolarHBondContact O-N 3.16Å; E342-S346 PolarHBondContact O-OG 3.11Å
343	E	98.4	Very high	98.1	Very high	74 Å²	74	55.3 Å²	55.3	35%	0.346	27%	0.27	S	S	.	.	H	α-helix	trans	-57.2	-42.8	171.7	-72.3	175.5	153.8	0	0	112	K295 W299 N339 W347	K295-E343 WeakPolarHBondContact CD-OE2 3.44Å; K295-E343 IonicContact NZ-OE1 3.62Å; K295-E343 PolarHBondContact NZ-OE1 2.92Å; K295-E343 IonicContact NZ-OE2 2.93Å; K295-E343 PolarHBondContact NZ-OE2 2.95Å; W299-E343 HydrophobicContact CH2-CB 4.25Å; W299-E343 HydrophobicContact CZ2-CB 4.49Å; N339-E343 WeakPolarHBondContact O-CG 3.37Å; N339-E343 PolarHBondContact O-N 3.08Å; E343-W347 PolarHBondContact O-N 3.39Å; E343-W347 VanDerWaalsContact O-N 3.12Å
344	A	98.8	Very high	97.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66.6	-42.5	177.3	0	0	0	0	0	112.2	W291 I325 L329 L332 E340 F341 E342 W347 V348	W291-A344 HydrophobicContact CH2-CB 4.06Å; W291-A344 HydrophobicContact CZ2-CB 4.21Å; I325-A344 HydrophobicContact CG2-CB 3.77Å; L329-A344 HydrophobicContact CD2-CB 3.64Å; L332-A344 HydrophobicContact CD1-CB 4.49Å; E340-A344 WeakPolarHBondContact O-CB 3.48Å; E340-A344 PolarHBondContact O-N 3.42Å; E340-A344 VanDerWaalsContact O-N 3.12Å; F341-A344 WeakPolarHBondContact O-CB 3.23Å; F341-A344 PolarHBondContact O-N 3.11Å; E342-A344 VanDerWaalsContact C-N 3.3Å; E342-A344 PolarHBondContact O-N 2.94Å; A344-W347 PolarHBondContact O-N 3.25Å; A344-V348 WeakPolarHBondContact O-CG2 3.43Å; A344-V348 PolarHBondContact O-N 3.11Å
345	K	98.7	Very high	97.6	Very high	22 Å²	22	56.7 Å²	56.7	10%	0.096	28%	0.28	C	S	.	.	H	α-helix	trans	-60.1	-49.4	175.9	-174.6	179.9	72.8	-164	0	111.6	F341 E342 W347 V348 E349 E382 I384 F385	F341-K345 WeakPolarHBondContact O-CB 3.38Å; F341-K345 PolarHBondContact O-N 3.31Å; E342-K345 PolarHBondContact O-N 2.97Å; E342-K345 WeakPolarHBondContact OE1-CE 3.12Å; E342-K345 IonicContact OE1-NZ 2.84Å; E342-K345 PolarHBondContact OE1-NZ 3.05Å; E342-K345 WeakPolarHBondContact OE2-CE 3.19Å; E342-K345 IonicContact OE2-NZ 3.15Å; E342-K345 PolarHBondContact OE2-NZ 3.46Å; K345-W347 VanDerWaalsContact C-N 3.29Å; K345-W347 PolarHBondContact O-N 2.98Å; K345-V348 PolarHBondContact O-N 3.24Å; K345-V348 VanDerWaalsContact O-N 3.13Å; K345-E349 PolarHBondContact O-N 3.23Å; K345-E382 HydrophobicContact CD-CB 4.21Å; K345-E382 HydrophobicContact CD-CG 3.75Å; K345-E382 IonicContact NZ-OE1 2.67Å; K345-E382 PolarHBondContact NZ-OE1 3.25Å; K345-I384 HydrophobicContact CG-CG2 4.15Å; K345-F385 HydrophobicContact CB-CE1 4.46Å; K345-F385 HydrophobicContact CB-CZ 3.8Å; K345-F385 HydrophobicContact CD-CE2 4.29Å; K345-F385 HydrophobicContact CD-CZ 4.23Å; K345-F385 HydrophobicContact CG-CE1 4.29Å; K345-F385 HydrophobicContact CG-CE2 4.16Å; K345-F385 HydrophobicContact CG-CZ 3.64Å
346	S	98.6	Very high	97.1	Very high	56 Å²	56	57.8 Å²	57.8	39%	0.392	29%	0.287	S	S	.	.	H	α-helix	trans	-58.5	-41.6	176	-63.5	0	0	0	0	111.7	E342 V348 E349 E350	E342-S346 PolarHBondContact O-N 3.16Å; E342-S346 PolarHBondContact O-OG 3.11Å; S346-V348 PolarHBondContact O-N 2.84Å; S346-E349 PolarHBondContact O-N 2.91Å; S346-E350 WeakPolarHBondContact O-CB 3.23Å; S346-E350 WeakPolarHBondContact O-CG 3.18Å; S346-E350 PolarHBondContact O-N 3.03Å
347	W	98.8	Very high	96.9	Very high	15 Å²	15	58.7 Å²	58.7	6%	0.057	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-42.6	175	-174	90.3	0	0	0	112.4	W299 K321 I325 E343 A344 K345 E349 E350 N351 L352	W299-W347 HydrophobicContact CZ2-CB 3.86Å; W299-W347 HydrophobicContact CZ2-CG 4.22Å; W299-W347 AromaticContact NE1-CD1 3.65Å; K321-W347 HydrophobicContact CB-CH2 3.84Å; K321-W347 HydrophobicContact CB-CZ2 3.98Å; K321-W347 WeakPolarHBondContact O-CH2 3.48Å; I325-W347 HydrophobicContact CB-CE3 4.24Å; I325-W347 HydrophobicContact CD1-CB 4.39Å; I325-W347 HydrophobicContact CD1-CD2 3.45Å; I325-W347 VanDerWaalsContact CD1-CD2 3.45Å; I325-W347 HydrophobicContact CD1-CE3 3.68Å; I325-W347 HydrophobicContact CD1-CG 3.75Å; I325-W347 HydrophobicContact CD1-CZ2 4.46Å; I325-W347 HydrophobicContact CD1-CZ3 4.29Å; I325-W347 HydrophobicContact CG2-CE3 3.89Å; E343-W347 PolarHBondContact O-N 3.39Å; E343-W347 VanDerWaalsContact O-N 3.12Å; A344-W347 PolarHBondContact O-N 3.25Å; K345-W347 VanDerWaalsContact C-N 3.29Å; K345-W347 PolarHBondContact O-N 2.98Å; W347-E349 PolarHBondContact O-N 3.15Å; W347-E350 PolarHBondContact O-N 3.09Å; W347-N351 HydrophobicContact CD2-CB 3.98Å; W347-N351 HydrophobicContact CG-CB 4.26Å; W347-N351 HydrophobicContact CH2-CB 4.44Å; W347-N351 HydrophobicContact CZ2-CB 3.77Å; W347-N351 WeakPolarHBondContact O-CA 3.43Å; W347-N351 VanDerWaalsContact O-CB 3.3Å; W347-N351 WeakPolarHBondContact O-CB 3.1Å; W347-N351 PolarHBondContact O-N 2.82Å; W347-L352 HydrophobicContact CH2-CB 4.46Å; W347-L352 HydrophobicContact CH2-CD1 4.25Å; W347-L352 HydrophobicContact CZ3-CB 4.03Å; W347-L352 HydrophobicContact CZ3-CD1 4.13Å
348	V	98.6	Very high	96.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-37.8	177.7	167	0	0	0	0	112.3	I325 V326 A344 K345 S346 L352 L373 F385 K388	I325-V348 HydrophobicContact CG2-CG2 4.19Å; V326-V348 HydrophobicContact CG2-CG2 4.18Å; A344-V348 WeakPolarHBondContact O-CG2 3.43Å; A344-V348 PolarHBondContact O-N 3.11Å; K345-V348 PolarHBondContact O-N 3.24Å; K345-V348 VanDerWaalsContact O-N 3.13Å; S346-V348 PolarHBondContact O-N 2.84Å; V348-L352 HydrophobicContact CG1-CB 4.49Å; V348-L352 HydrophobicContact CG1-CD2 3.98Å; V348-L352 HydrophobicContact CG2-CD2 4.43Å; V348-L352 WeakPolarHBondContact O-CB 2.89Å; V348-L373 HydrophobicContact CG1-CD2 4.03Å; V348-F385 HydrophobicContact CB-CE1 4.25Å; V348-F385 HydrophobicContact CG1-CD1 4.02Å; V348-F385 HydrophobicContact CG1-CE1 4.07Å; V348-F385 HydrophobicContact CG2-CE1 4.44Å; V348-K388 HydrophobicContact CG1-CG 4.11Å; V348-K388 WeakPolarHBondContact O-CE 3.38Å
349	E	97.4	Very high	96.6	Very high	124 Å²	124	56.3 Å²	56.3	58%	0.579	29%	0.288	S	S	*	.	H	α-helix	trans	-66.7	-49.3	175.8	-172.9	165.1	-159.8	0	0	112	K345 S346 W347 I384	K345-E349 PolarHBondContact O-N 3.23Å; S346-E349 PolarHBondContact O-N 2.91Å; W347-E349 PolarHBondContact O-N 3.15Å; E349-I384 HydrophobicContact CB-CD1 4.29Å; E349-I384 HydrophobicContact CB-CG1 3.98Å; E349-I384 HydrophobicContact CG-CD1 4.03Å; E349-I384 HydrophobicContact CG-CG1 4.16Å
350	E	97.3	Very high	96.6	Very high	158 Å²	158	50.1 Å²	50.1	74%	0.738	26%	0.255	S	S	*	.	H	α-helix	trans	-79.8	-36.2	-172.9	-70.5	-180	174.5	0	0	114.6	S346 W347	S346-E350 WeakPolarHBondContact O-CB 3.23Å; S346-E350 WeakPolarHBondContact O-CG 3.18Å; S346-E350 PolarHBondContact O-N 3.03Å; W347-E350 PolarHBondContact O-N 3.09Å
351	N	97.6	Very high	96.6	Very high	80 Å²	80	48.9 Å²	48.9	43%	0.428	25%	0.249	S	C	.	.	H	α-helix	trans	-121.3	-16.8	-161.1	-65.1	-94.1	0	0	0	115.4	W347 D353	W347-N351 HydrophobicContact CD2-CB 3.98Å; W347-N351 HydrophobicContact CG-CB 4.26Å; W347-N351 HydrophobicContact CH2-CB 4.44Å; W347-N351 HydrophobicContact CZ2-CB 3.77Å; W347-N351 WeakPolarHBondContact O-CA 3.43Å; W347-N351 VanDerWaalsContact O-CB 3.3Å; W347-N351 WeakPolarHBondContact O-CB 3.1Å; W347-N351 PolarHBondContact O-N 2.82Å; N351-D353 PolarHBondContact O-N 3.4Å
352	L	97.8	Very high	96.6	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.016	25%	0.249	C	C	.	.			trans	-80.6	99.9	-176.5	-173.5	60.2	0	0	0	111.5	I320 K321 V326 W347 V348 F354 F369 L373 K388	I320-L352 HydrophobicContact CG2-CD1 4.29Å; K321-L352 WeakPolarHBondContact O-CD1 3.47Å; V326-L352 HydrophobicContact CG2-CD2 4.06Å; W347-L352 HydrophobicContact CH2-CB 4.46Å; W347-L352 HydrophobicContact CH2-CD1 4.25Å; W347-L352 HydrophobicContact CZ3-CB 4.03Å; W347-L352 HydrophobicContact CZ3-CD1 4.13Å; V348-L352 HydrophobicContact CG1-CB 4.49Å; V348-L352 HydrophobicContact CG1-CD2 3.98Å; V348-L352 HydrophobicContact CG2-CD2 4.43Å; V348-L352 WeakPolarHBondContact O-CB 2.89Å; L352-F354 HydrophobicContact CD1-CE1 3.82Å; L352-F354 HydrophobicContact CD1-CZ 4.31Å; L352-F354 HydrophobicContact CD2-CE1 3.94Å; L352-F354 HydrophobicContact CD2-CZ 3.61Å; L352-F354 HydrophobicContact CG-CE1 3.71Å; L352-F354 HydrophobicContact CG-CZ 3.68Å; L352-F369 HydrophobicContact CD1-CD1 4.42Å; L352-F369 HydrophobicContact CD1-CE1 4.14Å; L352-L373 HydrophobicContact CD2-CD1 4.24Å; L352-L373 HydrophobicContact CD2-CD2 4.39Å; L352-K388 HydrophobicContact CD2-CD 4.47Å; L352-K388 PolarHBondContact O-NZ 2.8Å
353	D	94.4	Very high	96.6	Very high	92 Å²	92	45.7 Å²	45.7	49%	0.492	23%	0.234	S	C	.	.			trans	-111.4	135.6	174.7	-180	28.9	0	0	0	112	N351 N355	N351-D353 PolarHBondContact O-N 3.4Å; D353-N355 VanDerWaalsContact OD1-CB 3.24Å; D353-N355 WeakPolarHBondContact OD1-CB 3.48Å; D353-N355 PolarHBondContact OD1-N 2.84Å
354	F	94.2	Very high	96.6	Very high	5 Å²	5	43.6 Å²	43.6	2%	0.022	23%	0.225	C	C	.	.			trans	-103.8	0.8	176.9	-49.6	-58.3	0	0	0	112.9	I320 L352 V356 L373 K388 E391 L392 K395 M413	I320-F354 HydrophobicContact CG2-CD1 4.47Å; L352-F354 HydrophobicContact CD1-CE1 3.82Å; L352-F354 HydrophobicContact CD1-CZ 4.31Å; L352-F354 HydrophobicContact CD2-CE1 3.94Å; L352-F354 HydrophobicContact CD2-CZ 3.61Å; L352-F354 HydrophobicContact CG-CE1 3.71Å; L352-F354 HydrophobicContact CG-CZ 3.68Å; F354-V356 PolarHBondContact O-N 2.88Å; F354-V356 VanDerWaalsContact O-N 3.08Å; F354-L373 HydrophobicContact CZ-CD1 4.13Å; F354-K388 HydrophobicContact CE2-CB 4.18Å; F354-K388 HydrophobicContact CE2-CD 3.87Å; F354-K388 VanDerWaalsContact CE2-O 3.3Å; F354-K388 WeakPolarHBondContact CE2-O 3.39Å; F354-K388 HydrophobicContact CZ-CB 4.32Å; F354-K388 HydrophobicContact CZ-CD 4.32Å; F354-E391 HydrophobicContact CD2-CB 4.15Å; F354-E391 HydrophobicContact CE2-CB 4.24Å; F354-L392 HydrophobicContact CB-CD1 4.48Å; F354-L392 HydrophobicContact CD1-CB 4.42Å; F354-L392 HydrophobicContact CD1-CD1 3.79Å; F354-L392 HydrophobicContact CD1-CD2 4.48Å; F354-L392 HydrophobicContact CD1-CG 4.46Å; F354-L392 HydrophobicContact CD2-CB 4.04Å; F354-L392 HydrophobicContact CE1-CB 4.2Å; F354-L392 HydrophobicContact CE1-CD1 4.09Å; F354-L392 HydrophobicContact CE1-CD2 3.94Å; F354-L392 HydrophobicContact CE1-CG 4.31Å; F354-L392 HydrophobicContact CE2-CB 3.81Å; F354-L392 HydrophobicContact CG-CB 4.33Å; F354-L392 HydrophobicContact CG-CD1 4.04Å; F354-L392 HydrophobicContact CZ-CB 3.88Å; F354-L392 HydrophobicContact CZ-CD2 4.17Å; F354-L392 HydrophobicContact CZ-CG 4.45Å; F354-K395 HydrophobicContact CB-CG 4.31Å; F354-M413 WeakPolarHBondContact O-CB 3.42Å
355	N	91.4	Very high	96.6	Very high	82 Å²	82	43.6 Å²	43.6	44%	0.439	23%	0.225	S	C	.	.			trans	-83.3	29.3	-177.9	-157.9	31.5	0	0	0	114.1	D353 K395	D353-N355 VanDerWaalsContact OD1-CB 3.24Å; D353-N355 WeakPolarHBondContact OD1-CB 3.48Å; D353-N355 PolarHBondContact OD1-N 2.84Å; N355-K395 PolarHBondContact OD1-NZ 3.49Å
356	V	89.7	Confident	96.6	Very high	23 Å²	23	42.6 Å²	42.6	14%	0.139	22%	0.22	C	C	.	.			trans	-83.6	141.8	-170.1	-60.4	0	0	0	0	112.5	N319 I320 F354 A358 M413 K414	N319-V356 HydrophobicContact CB-CB 3.87Å; N319-V356 HydrophobicContact CB-CG1 4.33Å; N319-V356 HydrophobicContact CB-CG2 4.18Å; I320-V356 HydrophobicContact CG1-CG2 3.81Å; F354-V356 PolarHBondContact O-N 2.88Å; F354-V356 VanDerWaalsContact O-N 3.08Å; V356-A358 PolarHBondContact O-N 3.11Å; V356-M413 HydrophobicContact CG2-CB 4.26Å; V356-K414 WeakPolarHBondContact O-CB 3.43Å; V356-K414 PolarHBondContact O-N 3.17Å
357	N	93.4	Very high	96.6	Very high	107 Å²	107	40.1 Å²	40.1	57%	0.572	20%	0.202	S	C	*	.	S	Bend	trans	-91.7	74.1	176	-170.8	33.1	0	0	0	111	N412 K414	N357-N412 PolarHBondContact OD1-ND2 3.28Å; N357-K414 HydrophobicContact CB-CB 4.27Å; N357-K414 HydrophobicContact CB-CD 3.9Å
358	A	92.8	Very high	96.6	Very high	15 Å²	15	40.2 Å²	40.2	12%	0.124	20%	0.203	C	C	.	.	S	Bend	trans	-147.5	158	170.3	0	0	0	0	0	109.5	N319 V356 N412 M413	N319-A358 HydrophobicContact CB-CB 3.76Å; V356-A358 PolarHBondContact O-N 3.11Å; A358-N412 VanDerWaalsContact O-CA 3.31Å; A358-N412 WeakPolarHBondContact O-CA 3.31Å; A358-M413 PolarHBondContact O-N 3.09Å
359	E	96.1	Very high	96.6	Very high	74 Å²	74	40.2 Å²	40.2	35%	0.346	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	140.9	164.5	-63.5	177.6	142	0	0	109.5	G318 L411 N412 R419	G318-E359 VanDerWaalsContact CA-O 3.27Å; G318-E359 WeakPolarHBondContact CA-O 3.3Å; E359-L411 CarbonylContact C-O 3.53Å; E359-L411 WeakPolarHBondContact CA-O 3.45Å; E359-N412 HydrophobicContact CG-CB 4.26Å; E359-R419 WeakPolarHBondContact OE1-CD 3.32Å; E359-R419 IonicContact OE1-CZ 3.72Å; E359-R419 IonicContact OE1-NE 3.25Å; E359-R419 PolarHBondContact OE1-NE 3.4Å; E359-R419 IonicContact OE1-NH2 3.17Å; E359-R419 IonicContact OE2-CZ 2.71Å; E359-R419 IonicContact OE2-NE 3.49Å; E359-R419 PolarHBondContact OE2-NE 2.87Å; E359-R419 IonicContact OE2-NH2 2.71Å; E359-R419 PolarHBondContact OE2-NH2 3.11Å
360	I	98	Very high	96.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	158.2	173.5	62.5	70.9	0	0	0	109.9	L316 F317 I320 V362 V365 L396 L410 L411 M413	L316-I360 CarbonylContact O-C 3.55Å; L316-I360 WeakPolarHBondContact O-CA 3.39Å; F317-I360 VanDerWaalsContact O-CG2 3.27Å; F317-I360 WeakPolarHBondContact O-CG2 3.28Å; I320-I360 HydrophobicContact CD1-CG2 3.98Å; I320-I360 HydrophobicContact CG1-CG2 4.2Å; I360-V362 HydrophobicContact CD1-CG2 4.14Å; I360-V365 HydrophobicContact CB-CG2 3.89Å; I360-V365 HydrophobicContact CD1-CB 4.05Å; I360-V365 HydrophobicContact CD1-CG1 4.45Å; I360-V365 HydrophobicContact CD1-CG2 3.93Å; I360-V365 HydrophobicContact CG1-CG2 4.05Å; I360-L396 HydrophobicContact CD1-CD2 3.89Å; I360-L410 CarbonylContact O-C 3.51Å; I360-L410 VanDerWaalsContact O-CA 3.24Å; I360-L410 WeakPolarHBondContact O-CA 3.21Å; I360-L410 WeakPolarHBondContact O-CD2 3.41Å; I360-L411 HydrophobicContact CD1-CB 4.34Å; I360-L411 PolarHBondContact N-O 2.89Å; I360-L411 PolarHBondContact O-N 3.26Å; I360-M413 HydrophobicContact CD1-SD 3.91Å; I360-M413 HydrophobicContact CG1-CE 4.45Å; I360-M413 HydrophobicContact CG1-CG 3.58Å; I360-M413 HydrophobicContact CG1-SD 3.56Å; I360-M413 VanDerWaalsContact CG1-SD 3.56Å; I360-M413 HydrophobicContact CG2-CG 4.16Å
361	S	98.6	Very high	96.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.007	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	119.8	167.6	174.2	0	0	0	0	109.4	L316 F363 E364 V365 A409	L316-S361 PolarHBondContact O-N 2.76Å; S361-F363 VanDerWaalsContact C-N 3.31Å; S361-F363 PolarHBondContact O-N 2.81Å; S361-E364 PolarHBondContact O-N 3.09Å; S361-E364 WeakPolarHBondContact OG-CG 3.46Å; S361-V365 WeakPolarHBondContact O-CB 3.38Å; S361-V365 WeakPolarHBondContact O-CG2 3.16Å; S361-V365 PolarHBondContact O-N 3.5Å; S361-A409 WeakPolarHBondContact CA-O 3.47Å
362	V	98.8	Very high	96.8	Very high	3 Å²	3	23 Å²	23	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-64.6	-38.4	-175.3	175	0	0	0	0	111.2	I360 N366 L396 A399 W408 A409 L411 L437	I360-V362 HydrophobicContact CD1-CG2 4.14Å; V362-N366 WeakPolarHBondContact O-CB 3.2Å; V362-N366 PolarHBondContact O-N 2.71Å; V362-L396 HydrophobicContact CG1-CD2 4.45Å; V362-A399 HydrophobicContact CG1-CB 4.07Å; V362-A399 HydrophobicContact CG2-CB 3.8Å; V362-W408 WeakPolarHBondContact CG2-O 3.42Å; V362-A409 PolarHBondContact N-O 3.36Å; V362-L411 HydrophobicContact CG2-CB 3.61Å; V362-L437 HydrophobicContact CG1-CD2 4.48Å
363	F	98.8	Very high	96.9	Very high	26 Å²	26	22.8 Å²	22.8	11%	0.114	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-55.5	174.4	163.8	-112.4	0	0	0	111.9	S361 V365 N366 I367 E433 T436	S361-F363 VanDerWaalsContact C-N 3.31Å; S361-F363 PolarHBondContact O-N 2.81Å; F363-V365 PolarHBondContact O-N 2.73Å; F363-N366 WeakPolarHBondContact O-CB 3.23Å; F363-N366 PolarHBondContact O-N 3.41Å; F363-N366 VanDerWaalsContact O-N 3.09Å; F363-I367 HydrophobicContact CD2-CD1 4.4Å; F363-I367 HydrophobicContact CD2-CG2 4.15Å; F363-I367 HydrophobicContact CE1-CD1 4Å; F363-I367 HydrophobicContact CE2-CD1 3.79Å; F363-I367 HydrophobicContact CE2-CG2 4.02Å; F363-I367 HydrophobicContact CZ-CD1 3.56Å; F363-I367 PolarHBondContact O-N 3.2Å; F363-E433 HydrophobicContact CB-CB 3.76Å; F363-E433 HydrophobicContact CB-CG 3.86Å; F363-E433 HydrophobicContact CD1-CG 4.06Å; F363-E433 HydrophobicContact CG-CB 4.15Å; F363-E433 HydrophobicContact CG-CG 3.98Å; F363-T436 HydrophobicContact CD2-CG2 4.5Å; F363-T436 HydrophobicContact CE2-CG2 3.89Å
364	E	98.7	Very high	97.1	Very high	30 Å²	30	18.4 Å²	18.4	14%	0.14	10%	0.096	C	C	.	.	H	α-helix	trans	-62.2	-43.3	-176.7	-64	-75	179.6	0	0	111.8	L316 F317 S361 N366 R368	L316-E364 HydrophobicContact CB-CB 4.4Å; L316-E364 HydrophobicContact CB-CG 4.14Å; L316-E364 HydrophobicContact CD1-CG 4.04Å; L316-E364 HydrophobicContact CD2-CG 4.37Å; L316-E364 HydrophobicContact CG-CG 4.39Å; F317-E364 HydrophobicContact CE1-CB 4.14Å; S361-E364 PolarHBondContact O-N 3.09Å; S361-E364 WeakPolarHBondContact OG-CG 3.46Å; E364-N366 VanDerWaalsContact C-N 3.29Å; E364-N366 PolarHBondContact O-N 3.08Å; E364-R368 WeakPolarHBondContact O-CB 3.32Å; E364-R368 WeakPolarHBondContact O-CG 3.37Å; E364-R368 PolarHBondContact O-N 3.23Å; E364-R368 VanDerWaalsContact O-N 3.14Å; E364-R368 IonicContact OE2-CZ 3.72Å; E364-R368 IonicContact OE2-NE 3.98Å; E364-R368 PolarHBondContact OE2-NE 2.73Å; E364-R368 IonicContact OE2-NH2 2.78Å; E364-R368 PolarHBondContact OE2-NH2 2.86Å
365	V	98.8	Very high	97.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-71.5	-25.4	177.9	173.4	0	0	0	0	111.9	F317 I320 I360 S361 F363 F369 V370 L392 L396	F317-V365 HydrophobicContact CD1-CG2 4.43Å; I320-V365 HydrophobicContact CD1-CG1 4.07Å; I320-V365 HydrophobicContact CD1-CG2 4.12Å; I360-V365 HydrophobicContact CB-CG2 3.89Å; I360-V365 HydrophobicContact CD1-CB 4.05Å; I360-V365 HydrophobicContact CD1-CG1 4.45Å; I360-V365 HydrophobicContact CD1-CG2 3.93Å; I360-V365 HydrophobicContact CG1-CG2 4.05Å; S361-V365 WeakPolarHBondContact O-CB 3.38Å; S361-V365 WeakPolarHBondContact O-CG2 3.16Å; S361-V365 PolarHBondContact O-N 3.5Å; F363-V365 PolarHBondContact O-N 2.73Å; V365-F369 HydrophobicContact CG1-CB 4.41Å; V365-F369 HydrophobicContact CG2-CD2 4.49Å; V365-F369 WeakPolarHBondContact O-CB 3.1Å; V365-F369 PolarHBondContact O-N 2.73Å; V365-V370 PolarHBondContact O-N 3.16Å; V365-L392 HydrophobicContact CG1-CD1 3.75Å; V365-L392 HydrophobicContact CG1-CD2 3.9Å; V365-L392 HydrophobicContact CG1-CG 4.24Å; V365-L396 HydrophobicContact CG1-CD2 4.29Å
366	N	98.9	Very high	97.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-70.6	-61.7	170.8	179.5	76.4	0	0	0	111.5	V362 F363 E364 R368 V370 G371 L396 T436 L437 E440 F441	V362-N366 WeakPolarHBondContact O-CB 3.2Å; V362-N366 PolarHBondContact O-N 2.71Å; F363-N366 WeakPolarHBondContact O-CB 3.23Å; F363-N366 PolarHBondContact O-N 3.41Å; F363-N366 VanDerWaalsContact O-N 3.09Å; E364-N366 VanDerWaalsContact C-N 3.29Å; E364-N366 PolarHBondContact O-N 3.08Å; N366-R368 PolarHBondContact O-N 2.71Å; N366-V370 WeakPolarHBondContact O-CA 3.36Å; N366-V370 VanDerWaalsContact O-CB 3.27Å; N366-V370 WeakPolarHBondContact O-CB 3.43Å; N366-V370 PolarHBondContact O-N 3.03Å; N366-V370 VanDerWaalsContact O-N 3.11Å; N366-G371 PolarHBondContact O-N 2.99Å; N366-L396 HydrophobicContact CB-CD1 4.46Å; N366-T436 PolarHBondContact ND2-O 2.9Å; N366-T436 VanDerWaalsContact ND2-O 3.17Å; N366-L437 HydrophobicContact CB-CD2 3.57Å; N366-E440 PolarHBondContact ND2-OE2 2.91Å; N366-E440 WeakPolarHBondContact OD1-CB 3.49Å; N366-F441 WeakPolarHBondContact OD1-CD2 3.3Å; N366-F441 VanDerWaalsContact OD1-CE2 3.3Å; N366-F441 WeakPolarHBondContact OD1-CE2 3.35Å
367	I	98.8	Very high	98.1	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.021	7%	0.068	C	C	.	.	I	π-helix	trans	-64.8	-39.6	-170.6	66.8	-179.7	0	0	0	112.2	F363 G371 T436 N716 E718 H720	F363-I367 HydrophobicContact CD2-CD1 4.4Å; F363-I367 HydrophobicContact CD2-CG2 4.15Å; F363-I367 HydrophobicContact CE1-CD1 4Å; F363-I367 HydrophobicContact CE2-CD1 3.79Å; F363-I367 HydrophobicContact CE2-CG2 4.02Å; F363-I367 HydrophobicContact CZ-CD1 3.56Å; F363-I367 PolarHBondContact O-N 3.2Å; I367-G371 WeakPolarHBondContact O-CA 3.49Å; I367-T436 HydrophobicContact CG2-CG2 3.87Å; I367-N716 PolarHBondContact O-ND2 2.72Å; I367-E718 HydrophobicContact CB-CB 4.17Å; I367-E718 HydrophobicContact CD1-CB 4.43Å; I367-E718 WeakPolarHBondContact CD1-OE2 3.48Å; I367-E718 HydrophobicContact CG1-CB 4.17Å; I367-E718 WeakPolarHBondContact CG1-OE2 3.4Å; I367-H720 PolarHBondContact O-CD2 3.38Å
368	R	98.8	Very high	98.3	Very high	17 Å²	17	9.3 Å²	9.3	6%	0.064	5%	0.045	C	C	.	.	I	π-helix	trans	-77.3	-73.4	177.6	-63.8	176.8	-158.9	-67.6	-37.7	111.7	F317 D327 E364 N366 G372 S688 E718	F317-R368 VanDerWaalsContact CE1-CD 3.44Å; D327-R368 WeakPolarHBondContact OD1-CB 3.35Å; D327-R368 IonicContact OD2-NH1 3.76Å; E364-R368 WeakPolarHBondContact O-CB 3.32Å; E364-R368 WeakPolarHBondContact O-CG 3.37Å; E364-R368 PolarHBondContact O-N 3.23Å; E364-R368 VanDerWaalsContact O-N 3.14Å; E364-R368 IonicContact OE2-CZ 3.72Å; E364-R368 IonicContact OE2-NE 3.98Å; E364-R368 PolarHBondContact OE2-NE 2.73Å; E364-R368 IonicContact OE2-NH2 2.78Å; E364-R368 PolarHBondContact OE2-NH2 2.86Å; N366-R368 PolarHBondContact O-N 2.71Å; R368-G372 WeakPolarHBondContact O-CA 3.28Å; R368-G372 PolarHBondContact O-N 2.74Å; R368-S688 PolarHBondContact NH1-OG 2.78Å; R368-E718 HydrophobicContact CG-CG 3.92Å; R368-E718 WeakPolarHBondContact CG-OE2 3.41Å; R368-E718 IonicContact CZ-OE1 2.76Å; R368-E718 IonicContact CZ-OE2 3.34Å; R368-E718 VanDerWaalsContact CZ-OE2 3.23Å; R368-E718 IonicContact NE-OE1 2.61Å; R368-E718 IonicContact NE-OE2 3.73Å; R368-E718 IonicContact NH1-OE1 3.61Å; R368-E718 PolarHBondContact NH1-OE1 3.2Å; R368-E718 IonicContact NH1-OE2 2.66Å; R368-E718 IonicContact NH2-OE1 3.95Å; R368-E718 PolarHBondContact NH2-OE1 3.27Å; R368-E718 IonicContact NH2-OE2 2.75Å; R368-E718 PolarHBondContact NH2-OE2 2.95Å
369	F	98.9	Very high	98.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.04	C	C	.	.	I	π-helix	trans	-72.2	-43.1	-169.3	-72.6	-98.7	0	0	0	113.2	F317 I320 K321 A323 V326 L352 V365 L373 L392	F317-F369 AromaticContact CD1-CE2 3.88Å; F317-F369 HydrophobicContact CD1-CE2 3.88Å; F317-F369 HydrophobicContact CE1-CE2 4.38Å; F317-F369 HydrophobicContact CG-CE2 4.27Å; I320-F369 HydrophobicContact CB-CZ 4.48Å; I320-F369 HydrophobicContact CG2-CD1 4.16Å; I320-F369 HydrophobicContact CG2-CE1 3.54Å; I320-F369 HydrophobicContact CG2-CE2 4.25Å; I320-F369 HydrophobicContact CG2-CZ 3.58Å; K321-F369 WeakPolarHBondContact O-CE1 3.39Å; A323-F369 VanDerWaalsContact CA-CZ 3.44Å; A323-F369 HydrophobicContact CB-CE2 3.81Å; A323-F369 HydrophobicContact CB-CZ 3.67Å; V326-F369 HydrophobicContact CB-CD1 4.18Å; V326-F369 HydrophobicContact CB-CE1 4.49Å; V326-F369 HydrophobicContact CG1-CD1 4.31Å; V326-F369 HydrophobicContact CG2-CD1 3.94Å; V326-F369 HydrophobicContact CG2-CE1 4.12Å; L352-F369 HydrophobicContact CD1-CD1 4.42Å; L352-F369 HydrophobicContact CD1-CE1 4.14Å; V365-F369 HydrophobicContact CG1-CB 4.41Å; V365-F369 HydrophobicContact CG2-CD2 4.49Å; V365-F369 WeakPolarHBondContact O-CB 3.1Å; V365-F369 PolarHBondContact O-N 2.73Å; F369-L373 VanDerWaalsContact O-CB 3.28Å; F369-L373 WeakPolarHBondContact O-CB 3.25Å; F369-L373 VanDerWaalsContact O-CD1 3.27Å; F369-L373 WeakPolarHBondContact O-CD1 3.46Å; F369-L373 WeakPolarHBondContact O-CG 3.16Å; F369-L373 PolarHBondContact O-N 2.97Å; F369-L392 HydrophobicContact CB-CD2 3.45Å; F369-L392 VanDerWaalsContact CB-CD2 3.45Å; F369-L392 HydrophobicContact CG-CD2 4.49Å
370	V	98.9	Very high	98.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.	I	π-helix	trans	-72	-44.9	177	-172.4	0	0	0	0	110.1	V365 N366 L373 L374 L392 L396 E440 L444	V365-V370 PolarHBondContact O-N 3.16Å; N366-V370 WeakPolarHBondContact O-CA 3.36Å; N366-V370 VanDerWaalsContact O-CB 3.27Å; N366-V370 WeakPolarHBondContact O-CB 3.43Å; N366-V370 PolarHBondContact O-N 3.03Å; N366-V370 VanDerWaalsContact O-N 3.11Å; V370-L373 PolarHBondContact O-N 3.41Å; V370-L374 HydrophobicContact CG1-CD1 3.86Å; V370-L374 HydrophobicContact CG1-CG 4.2Å; V370-L374 WeakPolarHBondContact O-CB 3.28Å; V370-L374 WeakPolarHBondContact O-CG 3.24Å; V370-L374 PolarHBondContact O-N 3.17Å; V370-L392 HydrophobicContact CG2-CB 4.43Å; V370-L392 HydrophobicContact CG2-CD2 3.58Å; V370-L392 HydrophobicContact CG2-CG 3.79Å; V370-L396 HydrophobicContact CG2-CD1 4.11Å; V370-E440 HydrophobicContact CB-CB 4.39Å; V370-E440 HydrophobicContact CB-CG 4.49Å; V370-E440 HydrophobicContact CG1-CB 3.92Å; V370-E440 HydrophobicContact CG1-CG 4.43Å; V370-L444 HydrophobicContact CG1-CD1 3.89Å; V370-L444 HydrophobicContact CG1-CD2 4.06Å; V370-L444 HydrophobicContact CG1-CG 4Å
371	G	98.9	Very high	98.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-57.1	-52.7	176.5	0	0	0	0	0	113.5	N366 I367 L373 L374 S375	N366-G371 PolarHBondContact O-N 2.99Å; I367-G371 WeakPolarHBondContact O-CA 3.49Å; G371-L373 PolarHBondContact O-N 3.42Å; G371-L374 PolarHBondContact O-N 3.34Å; G371-S375 WeakPolarHBondContact O-CB 3.27Å; G371-S375 PolarHBondContact O-N 2.98Å; G371-S375 PolarHBondContact O-OG 3.42Å
372	G	98.9	Very high	98.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.2	-40.6	180	0	0	0	0	0	113.4	R368 S375 A376 H720	R368-G372 WeakPolarHBondContact O-CA 3.28Å; R368-G372 PolarHBondContact O-N 2.74Å; G372-S375 PolarHBondContact O-N 3.34Å; G372-A376 WeakPolarHBondContact O-CB 3.28Å; G372-A376 PolarHBondContact O-N 2.84Å; G372-H720 PolarHBondContact N-CD2 3.1Å; G372-H720 VanDerWaalsContact N-CD2 3.34Å
373	L	98.9	Very high	98.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-68.9	-39.1	174.8	-68.6	170.5	0	0	0	112.6	V326 L329 V348 L352 F354 F369 V370 G371 S375 Y377 F385 K388 A389	V326-L373 HydrophobicContact CG1-CD2 4.16Å; V326-L373 HydrophobicContact CG1-CG 3.83Å; L329-L373 HydrophobicContact CD1-CD2 4.37Å; V348-L373 HydrophobicContact CG1-CD2 4.03Å; L352-L373 HydrophobicContact CD2-CD1 4.24Å; L352-L373 HydrophobicContact CD2-CD2 4.39Å; F354-L373 HydrophobicContact CZ-CD1 4.13Å; F369-L373 VanDerWaalsContact O-CB 3.28Å; F369-L373 WeakPolarHBondContact O-CB 3.25Å; F369-L373 VanDerWaalsContact O-CD1 3.27Å; F369-L373 WeakPolarHBondContact O-CD1 3.46Å; F369-L373 WeakPolarHBondContact O-CG 3.16Å; F369-L373 PolarHBondContact O-N 2.97Å; V370-L373 PolarHBondContact O-N 3.41Å; G371-L373 PolarHBondContact O-N 3.42Å; L373-S375 VanDerWaalsContact C-N 3.34Å; L373-Y377 WeakPolarHBondContact O-CB 3.43Å; L373-Y377 PolarHBondContact O-N 2.74Å; L373-Y377 VanDerWaalsContact O-N 3.09Å; L373-F385 HydrophobicContact CD2-CB 4.35Å; L373-F385 HydrophobicContact CD2-CD1 3.8Å; L373-F385 WeakPolarHBondContact O-CB 3.47Å; L373-K388 HydrophobicContact CD1-CB 3.7Å; L373-K388 HydrophobicContact CD2-CB 4.12Å; L373-K388 HydrophobicContact CG-CB 4.5Å; L373-A389 HydrophobicContact CB-CB 3.87Å
374	L	98.8	Very high	98.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.9	-43.5	173.5	-74.7	172.8	0	0	0	111.1	V370 G371 Y377 Y378 A389 E440 H443 L447 L722	V370-L374 HydrophobicContact CG1-CD1 3.86Å; V370-L374 HydrophobicContact CG1-CG 4.2Å; V370-L374 WeakPolarHBondContact O-CB 3.28Å; V370-L374 WeakPolarHBondContact O-CG 3.24Å; V370-L374 PolarHBondContact O-N 3.17Å; G371-L374 PolarHBondContact O-N 3.34Å; L374-Y377 WeakPolarHBondContact O-CB 3.47Å; L374-Y377 PolarHBondContact O-N 3.26Å; L374-Y378 HydrophobicContact CB-CE2 4.25Å; L374-Y378 HydrophobicContact CD2-CE2 4.43Å; L374-Y378 WeakPolarHBondContact O-CD2 3.24Å; L374-Y378 PolarHBondContact O-N 3.41Å; L374-A389 HydrophobicContact CD2-CB 4.1Å; L374-A389 HydrophobicContact CG-CB 4.22Å; L374-E440 HydrophobicContact CD1-CB 4.07Å; L374-E440 HydrophobicContact CD1-CG 4.41Å; L374-H443 HydrophobicContact CD1-CB 3.81Å; L374-H443 HydrophobicContact CD2-CB 4.19Å; L374-L447 HydrophobicContact CD2-CD1 3.63Å; L374-L722 HydrophobicContact CB-CD2 3.72Å; L374-L722 HydrophobicContact CD1-CD2 4.05Å
375	S	98.8	Very high	98.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-73.8	-40.1	-176.1	-53.2	0	0	0	0	112.1	G371 G372 L373 Y377 Y378 L379 H720 L721	G371-S375 WeakPolarHBondContact O-CB 3.27Å; G371-S375 PolarHBondContact O-N 2.98Å; G371-S375 PolarHBondContact O-OG 3.42Å; G372-S375 PolarHBondContact O-N 3.34Å; L373-S375 VanDerWaalsContact C-N 3.34Å; S375-Y377 VanDerWaalsContact C-N 3.26Å; S375-Y377 PolarHBondContact O-N 3.17Å; S375-Y378 PolarHBondContact O-N 3.43Å; S375-L379 WeakPolarHBondContact O-CB 3.13Å; S375-L379 VanDerWaalsContact O-CG 3.29Å; S375-L379 WeakPolarHBondContact O-CG 3.29Å; S375-L379 PolarHBondContact O-N 3.26Å; S375-H720 VanDerWaalsContact OG-C 3.3Å; S375-H720 WeakPolarHBondContact OG-CB 3.2Å; S375-L721 WeakPolarHBondContact CB-O 3Å; S375-L721 PolarHBondContact OG-N 2.99Å; S375-L721 PolarHBondContact OG-O 2.92Å; S375-L721 VanDerWaalsContact OG-O 3.05Å
376	A	98.7	Very high	98.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-57.2	-40.4	169.9	0	0	0	0	0	111.5	L329 G372 S380 F385	L329-A376 HydrophobicContact CB-CB 3.81Å; L329-A376 HydrophobicContact CD1-CB 3.7Å; L329-A376 HydrophobicContact CG-CB 4.31Å; G372-A376 WeakPolarHBondContact O-CB 3.28Å; G372-A376 PolarHBondContact O-N 2.84Å; A376-S380 WeakPolarHBondContact O-CB 3.41Å; A376-S380 PolarHBondContact O-N 2.95Å; A376-S380 VanDerWaalsContact O-N 3.08Å; A376-S380 PolarHBondContact O-OG 3.05Å; A376-F385 HydrophobicContact CB-CB 4.21Å; A376-F385 HydrophobicContact CB-CD1 4.04Å; A376-F385 HydrophobicContact CB-CD2 3.68Å; A376-F385 HydrophobicContact CB-CE1 4.28Å; A376-F385 HydrophobicContact CB-CE2 3.95Å; A376-F385 HydrophobicContact CB-CG 3.73Å; A376-F385 HydrophobicContact CB-CZ 4.22Å
377	Y	98.5	Very high	98	Very high	3 Å²	3	18 Å²	18	1%	0.012	9%	0.09	C	C	.	.	H	α-helix	trans	-62.8	-54.7	172.7	175.4	-110	0	0	0	112.5	L373 L374 S375 L379 S380 G381 E383 R386 L447	L373-Y377 WeakPolarHBondContact O-CB 3.43Å; L373-Y377 PolarHBondContact O-N 2.74Å; L373-Y377 VanDerWaalsContact O-N 3.09Å; L374-Y377 WeakPolarHBondContact O-CB 3.47Å; L374-Y377 PolarHBondContact O-N 3.26Å; S375-Y377 VanDerWaalsContact C-N 3.26Å; S375-Y377 PolarHBondContact O-N 3.17Å; Y377-L379 PolarHBondContact O-N 3.12Å; Y377-S380 PolarHBondContact O-N 3.36Å; Y377-G381 WeakPolarHBondContact O-CA 3.4Å; Y377-G381 PolarHBondContact O-N 3.42Å; Y377-E383 HydrophobicContact CE2-CG 4.32Å; Y377-E383 WeakPolarHBondContact CE2-OE1 3.41Å; Y377-E383 VanDerWaalsContact CZ-OE1 3.32Å; Y377-E383 PolarHBondContact OH-OE1 2.77Å; Y377-R386 HydrophobicContact CD1-CB 4.08Å; Y377-R386 HydrophobicContact CD2-CB 3.51Å; Y377-R386 HydrophobicContact CE1-CB 4.26Å; Y377-R386 HydrophobicContact CE1-CG 4.49Å; Y377-R386 HydrophobicContact CE2-CB 3.71Å; Y377-R386 HydrophobicContact CE2-CG 4.41Å; Y377-R386 HydrophobicContact CG-CB 3.67Å; Y377-R386 WeakPolarHBondContact OH-CD 3.17Å; Y377-L447 HydrophobicContact CD1-CD1 3.72Å; Y377-L447 HydrophobicContact CD1-CD2 4.39Å; Y377-L447 HydrophobicContact CE1-CD1 3.87Å; Y377-L447 HydrophobicContact CE1-CD2 3.74Å; Y377-L447 HydrophobicContact CE1-CG 4.48Å
378	Y	98.1	Very high	98	Very high	23 Å²	23	18.9 Å²	18.9	9%	0.09	9%	0.094	C	C	.	.	H	α-helix	trans	-63.1	-27.1	-176.6	-69.6	-60.8	0	0	0	113.6	P263 L374 S375 H443 L447 L722 P723	P263-Y378 WeakPolarHBondContact CB-O 3.09Å; L374-Y378 HydrophobicContact CB-CE2 4.25Å; L374-Y378 HydrophobicContact CD2-CE2 4.43Å; L374-Y378 WeakPolarHBondContact O-CD2 3.24Å; L374-Y378 PolarHBondContact O-N 3.41Å; S375-Y378 PolarHBondContact O-N 3.43Å; Y378-H443 AromaticContact CE2-ND1 3.58Å; Y378-H443 AromaticContact CZ-ND1 3.42Å; Y378-H443 PolarHBondContact OH-ND1 3.32Å; Y378-L447 HydrophobicContact CE1-CD1 4.36Å; Y378-L447 HydrophobicContact CE1-CD2 4.04Å; Y378-L447 HydrophobicContact CE2-CD1 4.36Å; Y378-L447 WeakPolarHBondContact OH-CD1 3.44Å; Y378-L447 WeakPolarHBondContact OH-CD2 3.13Å; Y378-L447 VanDerWaalsContact OH-CG 3.25Å; Y378-L447 WeakPolarHBondContact OH-CG 3.46Å; Y378-L722 HydrophobicContact CD2-CD2 4.42Å; Y378-L722 HydrophobicContact CE2-CD2 4.24Å; Y378-P723 HydrophobicContact CD1-CG 3.66Å; Y378-P723 HydrophobicContact CD2-CG 3.94Å; Y378-P723 HydrophobicContact CE1-CG 3.8Å; Y378-P723 HydrophobicContact CE2-CG 4.1Å; Y378-P723 HydrophobicContact CG-CG 3.75Å
379	L	97.7	Very high	98	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-82	-37.3	176	-68	173.9	0	0	0	113.6	V266 D330 F333 I334 S375 Y377 L708 W713 L721	V266-L379 HydrophobicContact CG1-CD2 3.54Å; D330-L379 HydrophobicContact CB-CD1 3.48Å; D330-L379 VanDerWaalsContact CB-CD1 3.48Å; F333-L379 HydrophobicContact CB-CD1 4.37Å; F333-L379 HydrophobicContact CD1-CB 3.8Å; F333-L379 HydrophobicContact CD1-CD1 4.14Å; F333-L379 HydrophobicContact CD1-CD2 4.47Å; F333-L379 HydrophobicContact CD1-CG 4.37Å; F333-L379 HydrophobicContact CD2-CB 4.46Å; F333-L379 HydrophobicContact CE1-CB 3.87Å; F333-L379 HydrophobicContact CG-CB 4.12Å; F333-L379 HydrophobicContact CG-CD1 4.42Å; F333-L379 HydrophobicContact CZ-CB 4.23Å; F333-L379 WeakPolarHBondContact CZ-O 3.18Å; I334-L379 HydrophobicContact CG2-CD1 4.07Å; S375-L379 WeakPolarHBondContact O-CB 3.13Å; S375-L379 VanDerWaalsContact O-CG 3.29Å; S375-L379 WeakPolarHBondContact O-CG 3.29Å; S375-L379 PolarHBondContact O-N 3.26Å; Y377-L379 PolarHBondContact O-N 3.12Å; L379-L708 HydrophobicContact CD2-CD2 4.25Å; L379-W713 HydrophobicContact CD2-CH2 4.14Å; L379-W713 HydrophobicContact CD2-CZ2 4.39Å; L379-L721 HydrophobicContact CD1-CD1 4.11Å
380	S	97.1	Very high	97.9	Very high	32 Å²	32	18.3 Å²	18.3	22%	0.224	9%	0.093	C	C	.	.	H	α-helix	trans	-107.4	-23.5	-169.8	67.9	0	0	0	0	115.8	A376 Y377 E382	A376-S380 WeakPolarHBondContact O-CB 3.41Å; A376-S380 PolarHBondContact O-N 2.95Å; A376-S380 VanDerWaalsContact O-N 3.08Å; A376-S380 PolarHBondContact O-OG 3.05Å; Y377-S380 PolarHBondContact O-N 3.36Å; S380-E382 PolarHBondContact O-N 3.31Å; S380-E382 WeakPolarHBondContact OG-CB 3.35Å; S380-E382 PolarHBondContact OG-N 2.81Å
381	G	96	Very high	97.8	Very high	21 Å²	21	22 Å²	22	22%	0.216	11%	0.11	C	C	.	.			trans	75.8	3	-170.4	0	0	0	0	0	114.7	F260 Y377 E383	F260-G381 VanDerWaalsContact CD2-CA 3.49Å; F260-G381 VanDerWaalsContact CZ-N 3.29Å; Y377-G381 WeakPolarHBondContact O-CA 3.4Å; Y377-G381 PolarHBondContact O-N 3.42Å; G381-E383 PolarHBondContact O-N 3.49Å; G381-E383 VanDerWaalsContact O-N 3.1Å
382	E	96.6	Very high	97.8	Very high	71 Å²	71	22 Å²	22	33%	0.332	11%	0.11	S	C	.	.			trans	-74.9	100.9	-176.4	-69.8	-77.3	-161.3	0	0	111.4	K345 S380 I384 F385	K345-E382 HydrophobicContact CD-CB 4.21Å; K345-E382 HydrophobicContact CD-CG 3.75Å; K345-E382 IonicContact NZ-OE1 2.67Å; K345-E382 PolarHBondContact NZ-OE1 3.25Å; S380-E382 PolarHBondContact O-N 3.31Å; S380-E382 WeakPolarHBondContact OG-CB 3.35Å; S380-E382 PolarHBondContact OG-N 2.81Å; E382-I384 HydrophobicContact CB-CG2 4.27Å; E382-I384 PolarHBondContact O-N 2.83Å; E382-F385 HydrophobicContact CB-CD2 3.64Å; E382-F385 HydrophobicContact CB-CE2 3.67Å; E382-F385 HydrophobicContact CG-CE2 4.31Å; E382-F385 WeakPolarHBondContact O-CD2 3.39Å; E382-F385 PolarHBondContact O-N 3.49Å
383	E	95.7	Very high	97.8	Very high	76 Å²	76	22 Å²	22	36%	0.355	11%	0.11	S	C	.	.	H	α-helix	trans	-55.4	-20.1	-175.6	-81.2	-71.6	141	0	0	114.7	Y377 G381 F385 R386 K387	Y377-E383 HydrophobicContact CE2-CG 4.32Å; Y377-E383 WeakPolarHBondContact CE2-OE1 3.41Å; Y377-E383 VanDerWaalsContact CZ-OE1 3.32Å; Y377-E383 PolarHBondContact OH-OE1 2.77Å; G381-E383 PolarHBondContact O-N 3.49Å; G381-E383 VanDerWaalsContact O-N 3.1Å; E383-F385 VanDerWaalsContact C-N 3.27Å; E383-F385 PolarHBondContact O-N 3.33Å; E383-R386 PolarHBondContact O-N 3.25Å; E383-R386 IonicContact OE1-CZ 2.71Å; E383-R386 IonicContact OE1-NH1 3.49Å; E383-R386 PolarHBondContact OE1-NH1 3.22Å; E383-R386 IonicContact OE2-CZ 3.87Å; E383-R386 IonicContact OE2-NE 2.79Å; E383-R386 IonicContact OE2-NH1 2.94Å; E383-R386 PolarHBondContact OE2-NH1 3.12Å; E383-K387 VanDerWaalsContact O-CB 3.3Å; E383-K387 WeakPolarHBondContact O-CB 3.44Å; E383-K387 PolarHBondContact O-N 2.76Å
384	I	96.9	Very high	97.7	Very high	21 Å²	21	24.6 Å²	24.6	11%	0.108	13%	0.125	C	C	.	.	H	α-helix	trans	-58.3	-38.7	172.5	-175.2	58.5	0	0	0	111.9	K345 E349 E382 K387 K388	K345-I384 HydrophobicContact CG-CG2 4.15Å; E349-I384 HydrophobicContact CB-CD1 4.29Å; E349-I384 HydrophobicContact CB-CG1 3.98Å; E349-I384 HydrophobicContact CG-CD1 4.03Å; E349-I384 HydrophobicContact CG-CG1 4.16Å; E382-I384 HydrophobicContact CB-CG2 4.27Å; E382-I384 PolarHBondContact O-N 2.83Å; I384-K387 HydrophobicContact CD1-CD 4.45Å; I384-K387 PolarHBondContact O-N 3.01Å; I384-K388 HydrophobicContact CD1-CG 4.19Å; I384-K388 HydrophobicContact CG1-CG 4.43Å; I384-K388 WeakPolarHBondContact O-CB 3.37Å; I384-K388 VanDerWaalsContact O-CG 3.26Å; I384-K388 WeakPolarHBondContact O-CG 3.17Å; I384-K388 PolarHBondContact O-N 3.06Å
385	F	98.5	Very high	97.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-70.8	-43.8	180	-57.2	-58.5	0	0	0	111.4	L329 F341 K345 V348 L373 A376 E382 E383 K387 K388 A389	L329-F385 HydrophobicContact CD1-CD1 3.91Å; L329-F385 HydrophobicContact CD1-CE1 3.54Å; L329-F385 HydrophobicContact CD1-CZ 4.19Å; L329-F385 HydrophobicContact CD2-CE1 3.92Å; L329-F385 HydrophobicContact CD2-CZ 3.92Å; L329-F385 HydrophobicContact CG-CE1 4.39Å; F341-F385 HydrophobicContact CE1-CE2 4.25Å; F341-F385 HydrophobicContact CE1-CZ 4.44Å; F341-F385 HydrophobicContact CE2-CE2 4.44Å; F341-F385 HydrophobicContact CE2-CZ 4.4Å; F341-F385 AromaticContact CZ-CE2 3.64Å; F341-F385 HydrophobicContact CZ-CE2 3.64Å; F341-F385 AromaticContact CZ-CZ 3.91Å; F341-F385 HydrophobicContact CZ-CZ 3.91Å; K345-F385 HydrophobicContact CB-CE1 4.46Å; K345-F385 HydrophobicContact CB-CZ 3.8Å; K345-F385 HydrophobicContact CD-CE2 4.29Å; K345-F385 HydrophobicContact CD-CZ 4.23Å; K345-F385 HydrophobicContact CG-CE1 4.29Å; K345-F385 HydrophobicContact CG-CE2 4.16Å; K345-F385 HydrophobicContact CG-CZ 3.64Å; V348-F385 HydrophobicContact CB-CE1 4.25Å; V348-F385 HydrophobicContact CG1-CD1 4.02Å; V348-F385 HydrophobicContact CG1-CE1 4.07Å; V348-F385 HydrophobicContact CG2-CE1 4.44Å; L373-F385 HydrophobicContact CD2-CB 4.35Å; L373-F385 HydrophobicContact CD2-CD1 3.8Å; L373-F385 WeakPolarHBondContact O-CB 3.47Å; A376-F385 HydrophobicContact CB-CB 4.21Å; A376-F385 HydrophobicContact CB-CD1 4.04Å; A376-F385 HydrophobicContact CB-CD2 3.68Å; A376-F385 HydrophobicContact CB-CE1 4.28Å; A376-F385 HydrophobicContact CB-CE2 3.95Å; A376-F385 HydrophobicContact CB-CG 3.73Å; A376-F385 HydrophobicContact CB-CZ 4.22Å; E382-F385 HydrophobicContact CB-CD2 3.64Å; E382-F385 HydrophobicContact CB-CE2 3.67Å; E382-F385 HydrophobicContact CG-CE2 4.31Å; E382-F385 WeakPolarHBondContact O-CD2 3.39Å; E382-F385 PolarHBondContact O-N 3.49Å; E383-F385 VanDerWaalsContact C-N 3.27Å; E383-F385 PolarHBondContact O-N 3.33Å; F385-K387 VanDerWaalsContact C-N 3.34Å; F385-K387 PolarHBondContact O-N 2.86Å; F385-K388 PolarHBondContact O-N 3.25Å; F385-A389 WeakPolarHBondContact O-CB 3.41Å; F385-A389 PolarHBondContact O-N 3.41Å
386	R	97.7	Very high	97.6	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-58.6	-44.5	172.7	169.4	171.6	172.3	-126.3	1.9	112	L255 P256 V258 Y377 E383 A389 V390 L447	L255-R386 HydrophobicContact CD1-CG 4.36Å; P256-R386 PolarHBondContact O-NH1 3.18Å; P256-R386 PolarHBondContact O-NH2 3.35Å; V258-R386 VanDerWaalsContact CG2-NH2 3.27Å; Y377-R386 HydrophobicContact CD1-CB 4.08Å; Y377-R386 HydrophobicContact CD2-CB 3.51Å; Y377-R386 HydrophobicContact CE1-CB 4.26Å; Y377-R386 HydrophobicContact CE1-CG 4.49Å; Y377-R386 HydrophobicContact CE2-CB 3.71Å; Y377-R386 HydrophobicContact CE2-CG 4.41Å; Y377-R386 HydrophobicContact CG-CB 3.67Å; Y377-R386 WeakPolarHBondContact OH-CD 3.17Å; E383-R386 PolarHBondContact O-N 3.25Å; E383-R386 IonicContact OE1-CZ 2.71Å; E383-R386 IonicContact OE1-NH1 3.49Å; E383-R386 PolarHBondContact OE1-NH1 3.22Å; E383-R386 IonicContact OE2-CZ 3.87Å; E383-R386 IonicContact OE2-NE 2.79Å; E383-R386 IonicContact OE2-NH1 2.94Å; E383-R386 PolarHBondContact OE2-NH1 3.12Å; R386-A389 PolarHBondContact O-N 3.4Å; R386-V390 WeakPolarHBondContact O-CG2 3.23Å; R386-V390 PolarHBondContact O-N 2.92Å; R386-V390 VanDerWaalsContact O-N 3.09Å; R386-L447 HydrophobicContact CG-CB 4.35Å; R386-L447 HydrophobicContact CG-CD1 4.1Å; R386-L447 PolarHBondContact NE-O 3.41Å; R386-L447 PolarHBondContact NH2-O 3.49Å
387	K	96.9	Very high	97.6	Very high	101 Å²	101	27.8 Å²	27.8	44%	0.439	14%	0.14	S	C	.	.	H	α-helix	trans	-58.4	-50.8	174.6	177.5	-177.6	168.7	-171.4	0	111.3	L255 E383 I384 F385 A389 V390 E391	L255-K387 HydrophobicContact CD1-CB 4.34Å; E383-K387 VanDerWaalsContact O-CB 3.3Å; E383-K387 WeakPolarHBondContact O-CB 3.44Å; E383-K387 PolarHBondContact O-N 2.76Å; I384-K387 HydrophobicContact CD1-CD 4.45Å; I384-K387 PolarHBondContact O-N 3.01Å; F385-K387 VanDerWaalsContact C-N 3.34Å; F385-K387 PolarHBondContact O-N 2.86Å; K387-A389 PolarHBondContact O-N 3.41Å; K387-V390 PolarHBondContact O-N 3.35Å; K387-E391 WeakPolarHBondContact CE-OE1 3.27Å; K387-E391 HydrophobicContact CG-CG 4.5Å; K387-E391 WeakPolarHBondContact O-CB 3.25Å; K387-E391 WeakPolarHBondContact O-CG 3.45Å; K387-E391 PolarHBondContact O-N 3.3Å
388	K	98.3	Very high	97.6	Very high	24 Å²	24	29 Å²	29	10%	0.104	15%	0.148	C	C	.	.	H	α-helix	trans	-63.4	-40.5	178.8	-70.2	-71.8	178.9	-171.2	0	112.4	V348 L352 F354 L373 I384 F385 V390 E391 L392	V348-K388 HydrophobicContact CG1-CG 4.11Å; V348-K388 WeakPolarHBondContact O-CE 3.38Å; L352-K388 HydrophobicContact CD2-CD 4.47Å; L352-K388 PolarHBondContact O-NZ 2.8Å; F354-K388 HydrophobicContact CE2-CB 4.18Å; F354-K388 HydrophobicContact CE2-CD 3.87Å; F354-K388 VanDerWaalsContact CE2-O 3.3Å; F354-K388 WeakPolarHBondContact CE2-O 3.39Å; F354-K388 HydrophobicContact CZ-CB 4.32Å; F354-K388 HydrophobicContact CZ-CD 4.32Å; L373-K388 HydrophobicContact CD1-CB 3.7Å; L373-K388 HydrophobicContact CD2-CB 4.12Å; L373-K388 HydrophobicContact CG-CB 4.5Å; I384-K388 HydrophobicContact CD1-CG 4.19Å; I384-K388 HydrophobicContact CG1-CG 4.43Å; I384-K388 WeakPolarHBondContact O-CB 3.37Å; I384-K388 VanDerWaalsContact O-CG 3.26Å; I384-K388 WeakPolarHBondContact O-CG 3.17Å; I384-K388 PolarHBondContact O-N 3.06Å; F385-K388 PolarHBondContact O-N 3.25Å; K388-V390 PolarHBondContact O-N 3.38Å; K388-E391 IonicContact NZ-OE2 3.56Å; K388-E391 PolarHBondContact O-N 3.27Å; K388-L392 WeakPolarHBondContact O-CB 3.43Å; K388-L392 PolarHBondContact O-N 3.23Å
389	A	98.6	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59	-45.2	176.5	0	0	0	0	0	111.6	L373 L374 F385 R386 K387 L392 G393 L444	L373-A389 HydrophobicContact CB-CB 3.87Å; L374-A389 HydrophobicContact CD2-CB 4.1Å; L374-A389 HydrophobicContact CG-CB 4.22Å; F385-A389 WeakPolarHBondContact O-CB 3.41Å; F385-A389 PolarHBondContact O-N 3.41Å; R386-A389 PolarHBondContact O-N 3.4Å; K387-A389 PolarHBondContact O-N 3.41Å; A389-L392 PolarHBondContact O-N 3.07Å; A389-G393 PolarHBondContact O-N 2.87Å; A389-L444 HydrophobicContact CB-CD2 4.28Å; A389-L444 WeakPolarHBondContact O-CD2 3.31Å
390	V	98.1	Very high	97.7	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.03	15%	0.145	C	C	.	.	H	α-helix	trans	-75.2	-36.7	179.1	-179.8	0	0	0	0	112.4	F252 L255 R386 K387 K388 L392 G393 V394 L444	F252-V390 HydrophobicContact CE1-CG1 4.2Å; F252-V390 HydrophobicContact CE2-CG1 4.11Å; F252-V390 HydrophobicContact CZ-CG1 3.52Å; L255-V390 HydrophobicContact CD2-CB 4.28Å; L255-V390 HydrophobicContact CD2-CG1 4.11Å; L255-V390 HydrophobicContact CD2-CG2 4.1Å; R386-V390 WeakPolarHBondContact O-CG2 3.23Å; R386-V390 PolarHBondContact O-N 2.92Å; R386-V390 VanDerWaalsContact O-N 3.09Å; K387-V390 PolarHBondContact O-N 3.35Å; K388-V390 PolarHBondContact O-N 3.38Å; V390-L392 VanDerWaalsContact C-N 3.26Å; V390-L392 PolarHBondContact O-N 2.86Å; V390-G393 PolarHBondContact O-N 3.29Å; V390-V394 HydrophobicContact CG1-CG2 4.38Å; V390-V394 WeakPolarHBondContact O-CG2 3.47Å; V390-V394 PolarHBondContact O-N 2.92Å; V390-L444 HydrophobicContact CB-CD2 4.5Å; V390-L444 HydrophobicContact CG2-CD2 3.92Å
391	E	97.1	Very high	97.7	Very high	76 Å²	76	29 Å²	29	36%	0.355	15%	0.145	S	C	.	.	H	α-helix	trans	-55.3	-43	169.9	-78.2	175.8	-176	0	0	111.3	F354 K387 K388 K395	F354-E391 HydrophobicContact CD2-CB 4.15Å; F354-E391 HydrophobicContact CE2-CB 4.24Å; K387-E391 WeakPolarHBondContact CE-OE1 3.27Å; K387-E391 HydrophobicContact CG-CG 4.5Å; K387-E391 WeakPolarHBondContact O-CB 3.25Å; K387-E391 WeakPolarHBondContact O-CG 3.45Å; K387-E391 PolarHBondContact O-N 3.3Å; K388-E391 IonicContact NZ-OE2 3.56Å; K388-E391 PolarHBondContact O-N 3.27Å; E391-K395 WeakPolarHBondContact O-CG 3.29Å; E391-K395 PolarHBondContact O-N 3.44Å
392	L	98.2	Very high	97.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-71	-46.3	176.3	-179.2	54.6	0	0	0	112.5	F354 V365 F369 V370 K388 A389 V390 V394 K395 L396 M413	F354-L392 HydrophobicContact CB-CD1 4.48Å; F354-L392 HydrophobicContact CD1-CB 4.42Å; F354-L392 HydrophobicContact CD1-CD1 3.79Å; F354-L392 HydrophobicContact CD1-CD2 4.48Å; F354-L392 HydrophobicContact CD1-CG 4.46Å; F354-L392 HydrophobicContact CD2-CB 4.04Å; F354-L392 HydrophobicContact CE1-CB 4.2Å; F354-L392 HydrophobicContact CE1-CD1 4.09Å; F354-L392 HydrophobicContact CE1-CD2 3.94Å; F354-L392 HydrophobicContact CE1-CG 4.31Å; F354-L392 HydrophobicContact CE2-CB 3.81Å; F354-L392 HydrophobicContact CG-CB 4.33Å; F354-L392 HydrophobicContact CG-CD1 4.04Å; F354-L392 HydrophobicContact CZ-CB 3.88Å; F354-L392 HydrophobicContact CZ-CD2 4.17Å; F354-L392 HydrophobicContact CZ-CG 4.45Å; V365-L392 HydrophobicContact CG1-CD1 3.75Å; V365-L392 HydrophobicContact CG1-CD2 3.9Å; V365-L392 HydrophobicContact CG1-CG 4.24Å; F369-L392 HydrophobicContact CB-CD2 3.45Å; F369-L392 VanDerWaalsContact CB-CD2 3.45Å; F369-L392 HydrophobicContact CG-CD2 4.49Å; V370-L392 HydrophobicContact CG2-CB 4.43Å; V370-L392 HydrophobicContact CG2-CD2 3.58Å; V370-L392 HydrophobicContact CG2-CG 3.79Å; K388-L392 WeakPolarHBondContact O-CB 3.43Å; K388-L392 PolarHBondContact O-N 3.23Å; A389-L392 PolarHBondContact O-N 3.07Å; V390-L392 VanDerWaalsContact C-N 3.26Å; V390-L392 PolarHBondContact O-N 2.86Å; L392-V394 VanDerWaalsContact C-N 3.3Å; L392-V394 PolarHBondContact O-N 3.28Å; L392-K395 WeakPolarHBondContact O-CA 3.44Å; L392-K395 VanDerWaalsContact O-CB 3.31Å; L392-K395 WeakPolarHBondContact O-CB 3.44Å; L392-K395 PolarHBondContact O-N 3.25Å; L392-L396 HydrophobicContact CD1-CG 4.49Å; L392-L396 PolarHBondContact O-N 3.18Å; L392-L396 VanDerWaalsContact O-N 3.09Å; L392-M413 HydrophobicContact CD1-CE 3.39Å
393	G	98.1	Very high	97.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-55.3	-44.2	177	0	0	0	0	0	112.3	A389 V390 K395 L396 L397 F453	A389-G393 PolarHBondContact O-N 2.87Å; V390-G393 PolarHBondContact O-N 3.29Å; G393-K395 VanDerWaalsContact C-N 3.28Å; G393-K395 PolarHBondContact O-N 3.42Å; G393-L396 PolarHBondContact O-N 2.66Å; G393-L396 VanDerWaalsContact O-N 3.13Å; G393-L397 PolarHBondContact O-N 3.12Å; G393-F453 VanDerWaalsContact C-CE1 3.48Å
394	V	97.3	Very high	98	Very high	55 Å²	55	26.9 Å²	26.9	33%	0.333	14%	0.141	S	C	.	.	H	α-helix	trans	-60.6	-37.4	174.8	171.2	0	0	0	0	111.8	F252 V390 L392 L396 L397 F453	F252-V394 HydrophobicContact CD2-CG2 4.07Å; F252-V394 HydrophobicContact CE2-CG2 3.84Å; V390-V394 HydrophobicContact CG1-CG2 4.38Å; V390-V394 WeakPolarHBondContact O-CG2 3.47Å; V390-V394 PolarHBondContact O-N 2.92Å; L392-V394 VanDerWaalsContact C-N 3.3Å; L392-V394 PolarHBondContact O-N 3.28Å; V394-L396 VanDerWaalsContact C-N 3.32Å; V394-L396 PolarHBondContact O-N 3.26Å; V394-L397 PolarHBondContact O-N 3.15Å; V394-F453 HydrophobicContact CG2-CE1 4.4Å; V394-F453 HydrophobicContact CG2-CZ 3.87Å
395	K	97.1	Very high	98	Very high	59 Å²	59	26.5 Å²	26.5	26%	0.257	14%	0.142	S	C	.	.	H	α-helix	trans	-68.2	-26.5	176.1	-75.9	-74.8	-160.3	166.7	0	113.7	F354 N355 E391 L392 G393 P398 L411 M413	F354-K395 HydrophobicContact CB-CG 4.31Å; N355-K395 PolarHBondContact OD1-NZ 3.49Å; E391-K395 WeakPolarHBondContact O-CG 3.29Å; E391-K395 PolarHBondContact O-N 3.44Å; L392-K395 WeakPolarHBondContact O-CA 3.44Å; L392-K395 VanDerWaalsContact O-CB 3.31Å; L392-K395 WeakPolarHBondContact O-CB 3.44Å; L392-K395 PolarHBondContact O-N 3.25Å; G393-K395 VanDerWaalsContact C-N 3.28Å; G393-K395 PolarHBondContact O-N 3.42Å; K395-P398 VanDerWaalsContact O-CD 3.3Å; K395-P398 WeakPolarHBondContact O-CD 3.38Å; K395-L411 WeakPolarHBondContact O-CD2 3.47Å; K395-M413 HydrophobicContact CB-CE 3.56Å; K395-M413 HydrophobicContact CB-SD 4.38Å; K395-M413 WeakPolarHBondContact CD-O 3.29Å; K395-M413 HydrophobicContact CG-CE 4.45Å; K395-M413 PolarHBondContact NZ-O 3.04Å
396	L	98.4	Very high	98	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-81.7	-20.1	178.4	-63.2	178.9	0	0	0	113.9	I360 V362 V365 N366 V370 L392 G393 V394 P398 A399 L411 M413 F441	I360-L396 HydrophobicContact CD1-CD2 3.89Å; V362-L396 HydrophobicContact CG1-CD2 4.45Å; V365-L396 HydrophobicContact CG1-CD2 4.29Å; N366-L396 HydrophobicContact CB-CD1 4.46Å; V370-L396 HydrophobicContact CG2-CD1 4.11Å; L392-L396 HydrophobicContact CD1-CG 4.49Å; L392-L396 PolarHBondContact O-N 3.18Å; L392-L396 VanDerWaalsContact O-N 3.09Å; G393-L396 PolarHBondContact O-N 2.66Å; G393-L396 VanDerWaalsContact O-N 3.13Å; V394-L396 VanDerWaalsContact C-N 3.32Å; V394-L396 PolarHBondContact O-N 3.26Å; L396-P398 VanDerWaalsContact C-N 3.33Å; L396-P398 VanDerWaalsContact O-N 3.14Å; L396-A399 VanDerWaalsContact O-CB 3.26Å; L396-A399 WeakPolarHBondContact O-CB 3.42Å; L396-A399 PolarHBondContact O-N 2.99Å; L396-L411 HydrophobicContact CD2-CD2 4.38Å; L396-M413 HydrophobicContact CD2-CE 3.92Å; L396-M413 HydrophobicContact CD2-SD 4.03Å; L396-F441 HydrophobicContact CB-CZ 4.22Å; L396-F441 HydrophobicContact CD1-CE2 4.47Å
397	L	98.6	Very high	98.1	Very high	9 Å²	9	26.5 Å²	26.5	5%	0.047	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-49.9	-36.4	-178.3	-70.7	176.8	0	0	0	116.2	G393 V394 A399 F400 I452 F453 K456	G393-L397 PolarHBondContact O-N 3.12Å; V394-L397 PolarHBondContact O-N 3.15Å; L397-A399 PolarHBondContact O-N 3.37Å; L397-F400 WeakPolarHBondContact O-CD2 3.19Å; L397-F400 PolarHBondContact O-N 3.14Å; L397-I452 HydrophobicContact CD1-CD1 3.96Å; L397-I452 HydrophobicContact CD1-CG1 4.49Å; L397-I452 HydrophobicContact CD1-CG2 4.11Å; L397-I452 HydrophobicContact CD2-CD1 4.39Å; L397-I452 HydrophobicContact CD2-CG1 4.18Å; L397-I452 HydrophobicContact CD2-CG2 4.27Å; L397-F453 HydrophobicContact CD1-CE1 4Å; L397-F453 HydrophobicContact CD2-CD1 3.68Å; L397-F453 HydrophobicContact CD2-CE1 3.83Å; L397-F453 HydrophobicContact CG-CD1 4.27Å; L397-F453 HydrophobicContact CG-CE1 3.9Å; L397-K456 HydrophobicContact CD2-CG 4Å
398	P	98.4	Very high	98.2	Very high	29 Å²	29	24.5 Å²	24.5	19%	0.188	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-68	-14.6	178.2	-20	33.8	0	0	0	114.7	K395 L396 F400 H401 L411 G416	K395-P398 VanDerWaalsContact O-CD 3.3Å; K395-P398 WeakPolarHBondContact O-CD 3.38Å; L396-P398 VanDerWaalsContact C-N 3.33Å; L396-P398 VanDerWaalsContact O-N 3.14Å; P398-F400 PolarHBondContact O-N 2.95Å; P398-H401 WeakPolarHBondContact O-CB 3.49Å; P398-H401 PolarHBondContact O-N 3.47Å; P398-H401 VanDerWaalsContact O-N 3.11Å; P398-L411 HydrophobicContact CB-CD1 4.14Å; P398-G416 WeakPolarHBondContact CB-O 3.26Å
399	A	98.6	Very high	98.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-57.3	-33.4	172.1	0	0	0	0	0	111.8	V362 L396 L397 H401 P407 W408 L411	V362-A399 HydrophobicContact CG1-CB 4.07Å; V362-A399 HydrophobicContact CG2-CB 3.8Å; L396-A399 VanDerWaalsContact O-CB 3.26Å; L396-A399 WeakPolarHBondContact O-CB 3.42Å; L396-A399 PolarHBondContact O-N 2.99Å; L397-A399 PolarHBondContact O-N 3.37Å; A399-H401 VanDerWaalsContact C-N 3.29Å; A399-H401 PolarHBondContact O-N 3.02Å; A399-P407 HydrophobicContact CB-CB 4.02Å; A399-P407 CarbonylContact O-C 3.59Å; A399-P407 VanDerWaalsContact O-CA 3.24Å; A399-P407 WeakPolarHBondContact O-CA 3.49Å; A399-W408 PolarHBondContact O-N 3.46Å; A399-L411 HydrophobicContact CB-CD2 4.22Å
400	F	98.7	Very high	98.2	Very high	10 Å²	10	24 Å²	24	4%	0.044	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-84	5.3	-178.9	-55.7	-98.2	0	0	0	113.5	L397 P398 T402 P407 L437 F441 K456 I460	L397-F400 WeakPolarHBondContact O-CD2 3.19Å; L397-F400 PolarHBondContact O-N 3.14Å; P398-F400 PolarHBondContact O-N 2.95Å; F400-T402 PolarHBondContact O-N 3.09Å; F400-P407 HydrophobicContact CD1-CB 3.83Å; F400-P407 HydrophobicContact CD1-CG 4.01Å; F400-P407 HydrophobicContact CD2-CB 4.44Å; F400-P407 HydrophobicContact CE1-CB 3.99Å; F400-P407 HydrophobicContact CE1-CG 3.82Å; F400-P407 HydrophobicContact CG-CB 4.1Å; F400-P407 HydrophobicContact CZ-CB 4.35Å; F400-P407 HydrophobicContact CZ-CG 4.35Å; F400-L437 HydrophobicContact CE1-CD1 4.23Å; F400-L437 HydrophobicContact CZ-CD1 3.83Å; F400-F441 HydrophobicContact CE2-CD1 4.44Å; F400-F441 AromaticContact CE2-CE1 3.43Å; F400-F441 HydrophobicContact CE2-CE1 3.43Å; F400-F441 VanDerWaalsContact CE2-CE1 3.43Å; F400-F441 AromaticContact CE2-CZ 3.67Å; F400-F441 HydrophobicContact CE2-CZ 3.67Å; F400-F441 HydrophobicContact CZ-CD1 4.16Å; F400-F441 AromaticContact CZ-CE1 3.51Å; F400-F441 HydrophobicContact CZ-CE1 3.51Å; F400-F441 AromaticContact CZ-CZ 3.82Å; F400-F441 HydrophobicContact CZ-CZ 3.82Å; F400-K456 HydrophobicContact CB-CD 4.11Å; F400-K456 HydrophobicContact CB-CG 4.25Å; F400-K456 HydrophobicContact CD1-CB 3.64Å; F400-K456 HydrophobicContact CD1-CG 4.14Å; F400-K456 HydrophobicContact CD2-CB 4.27Å; F400-K456 HydrophobicContact CD2-CG 4.03Å; F400-K456 HydrophobicContact CE1-CB 3.66Å; F400-K456 HydrophobicContact CE1-CG 4.45Å; F400-K456 HydrophobicContact CE2-CB 4.34Å; F400-K456 HydrophobicContact CE2-CG 4.4Å; F400-K456 HydrophobicContact CG-CB 3.94Å; F400-K456 HydrophobicContact CG-CD 4.3Å; F400-K456 HydrophobicContact CG-CG 3.89Å; F400-K456 HydrophobicContact CZ-CB 4.02Å; F400-I460 HydrophobicContact CE1-CD1 3.94Å
401	H	97.7	Very high	98.2	Very high	47 Å²	47	23.8 Å²	23.8	22%	0.218	13%	0.13	C	C	.	.			trans	-80	68.6	175.3	-66.4	175.2	0	0	0	110.4	D248 P398 A399	D248-H401 IonicContact OD2-CD2 2.69Å; D248-H401 IonicContact OD2-CE1 2.66Å; D248-H401 IonicContact OD2-NE2 3.2Å; D248-H401 PolarHBondContact OD2-NE2 3.12Å; P398-H401 WeakPolarHBondContact O-CB 3.49Å; P398-H401 PolarHBondContact O-N 3.47Å; P398-H401 VanDerWaalsContact O-N 3.11Å; A399-H401 VanDerWaalsContact C-N 3.29Å; A399-H401 PolarHBondContact O-N 3.02Å
402	T	97.9	Very high	98.2	Very high	18 Å²	18	21.1 Å²	21.1	11%	0.11	12%	0.118	C	C	.	.	S	Bend	trans	-130	158.1	177.4	71.3	0	0	0	0	110.7	F400 S404 G405 I406 W408 P480	F400-T402 PolarHBondContact O-N 3.09Å; T402-S404 VanDerWaalsContact C-N 3.27Å; T402-S404 PolarHBondContact O-N 3.41Å; T402-G405 PolarHBondContact O-N 3.08Å; T402-G405 VanDerWaalsContact O-N 3.11Å; T402-G405 WeakPolarHBondContact OG1-CA 3.2Å; T402-G405 PolarHBondContact OG1-N 3.13Å; T402-I406 WeakPolarHBondContact CB-O 3.43Å; T402-I406 WeakPolarHBondContact CG2-O 3.47Å; T402-I406 PolarHBondContact OG1-N 3.36Å; T402-I406 PolarHBondContact OG1-O 3.31Å; T402-W408 HydrophobicContact CG2-CD2 3.95Å; T402-W408 HydrophobicContact CG2-CG 4.13Å; T402-W408 HydrophobicContact CG2-CZ2 3.95Å; T402-P480 HydrophobicContact CG2-CB 4.06Å
403	P	98.2	Very high	97.9	Very high	85 Å²	85	21.3 Å²	21.3	55%	0.552	12%	0.119	S	C	*	.	S	Bend	trans	-58.7	-32.9	-178.8	-27.1	35.4	0	0	0	114.9
404	S	97.6	Very high	97.6	Very high	22 Å²	22	27.5 Å²	27.5	15%	0.154	15%	0.146	C	C	.	.	S	Bend	trans	-90.2	-17.6	175.4	65.4	0	0	0	0	114.2	T402 I406 N459 V463 P480	T402-S404 VanDerWaalsContact C-N 3.27Å; T402-S404 PolarHBondContact O-N 3.41Å; S404-I406 PolarHBondContact O-N 3.33Å; S404-I406 WeakPolarHBondContact OG-CB 3.46Å; S404-I406 WeakPolarHBondContact OG-CG1 3.36Å; S404-I406 PolarHBondContact OG-N 3.2Å; S404-I406 VanDerWaalsContact OG-N 3.16Å; S404-N459 PolarHBondContact O-ND2 3.37Å; S404-V463 WeakPolarHBondContact O-CG2 3.31Å; S404-P480 WeakPolarHBondContact CB-O 3.43Å; S404-P480 PolarHBondContact N-O 2.96Å; S404-P480 WeakPolarHBondContact OG-CA 3.37Å; S404-P480 PolarHBondContact OG-O 2.76Å
405	G	98.1	Very high	97.4	Very high	13 Å²	13	27.9 Å²	27.9	13%	0.134	15%	0.151	C	C	.	.			trans	73.2	7.1	-167.8	0	0	0	0	0	114.7	T402 N459	T402-G405 PolarHBondContact O-N 3.08Å; T402-G405 VanDerWaalsContact O-N 3.11Å; T402-G405 WeakPolarHBondContact OG1-CA 3.2Å; T402-G405 PolarHBondContact OG1-N 3.13Å; G405-N459 WeakPolarHBondContact CA-ND2 3.26Å
406	I	98.8	Very high	97.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-70.8	126.8	161.6	-62.4	-62.4	0	0	0	107.7	T402 S404 F434 I460 V463 L478 P480	T402-I406 WeakPolarHBondContact CB-O 3.43Å; T402-I406 WeakPolarHBondContact CG2-O 3.47Å; T402-I406 PolarHBondContact OG1-N 3.36Å; T402-I406 PolarHBondContact OG1-O 3.31Å; S404-I406 PolarHBondContact O-N 3.33Å; S404-I406 WeakPolarHBondContact OG-CB 3.46Å; S404-I406 WeakPolarHBondContact OG-CG1 3.36Å; S404-I406 PolarHBondContact OG-N 3.2Å; S404-I406 VanDerWaalsContact OG-N 3.16Å; I406-F434 HydrophobicContact CD1-CD2 4.46Å; I406-F434 HydrophobicContact CD1-CE2 4.43Å; I406-F434 HydrophobicContact CG2-CB 4.49Å; I406-F434 HydrophobicContact CG2-CD1 3.76Å; I406-F434 HydrophobicContact CG2-CE1 4.05Å; I406-F434 HydrophobicContact CG2-CG 4.05Å; I406-I460 HydrophobicContact CD1-CB 4.24Å; I406-I460 HydrophobicContact CD1-CG1 4.06Å; I406-I460 HydrophobicContact CD1-CG2 4.02Å; I406-V463 HydrophobicContact CD1-CB 3.96Å; I406-V463 HydrophobicContact CD1-CG1 4.04Å; I406-V463 HydrophobicContact CD1-CG2 4.22Å; I406-V463 HydrophobicContact CG1-CB 4.33Å; I406-V463 HydrophobicContact CG1-CG1 4.02Å; I406-V463 HydrophobicContact CG1-CG2 4.32Å; I406-L478 HydrophobicContact CD1-CD1 4.25Å; I406-L478 HydrophobicContact CG1-CD1 4.33Å; I406-L478 HydrophobicContact CG1-CD2 3.97Å; I406-P480 HydrophobicContact CB-CB 4.11Å; I406-P480 HydrophobicContact CG2-CB 4.25Å; I406-P480 WeakPolarHBondContact O-CB 3.46Å
407	P	98.8	Very high	97.2	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.026	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-72	157.8	-171.4	27	-34.6	0	0	0	114	A399 F400 S429 F434 L437 I460	A399-P407 HydrophobicContact CB-CB 4.02Å; A399-P407 CarbonylContact O-C 3.59Å; A399-P407 VanDerWaalsContact O-CA 3.24Å; A399-P407 WeakPolarHBondContact O-CA 3.49Å; F400-P407 HydrophobicContact CD1-CB 3.83Å; F400-P407 HydrophobicContact CD1-CG 4.01Å; F400-P407 HydrophobicContact CD2-CB 4.44Å; F400-P407 HydrophobicContact CE1-CB 3.99Å; F400-P407 HydrophobicContact CE1-CG 3.82Å; F400-P407 HydrophobicContact CG-CB 4.1Å; F400-P407 HydrophobicContact CZ-CB 4.35Å; F400-P407 HydrophobicContact CZ-CG 4.35Å; P407-S429 WeakPolarHBondContact O-CB 3.41Å; P407-S429 PolarHBondContact O-OG 2.98Å; P407-F434 HydrophobicContact CG-CB 3.68Å; P407-L437 HydrophobicContact CG-CD1 3.9Å; P407-I460 HydrophobicContact CG-CD1 4.14Å
408	W	98.8	Very high	97.1	Very high	58 Å²	58	32 Å²	32	22%	0.22	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-68.9	139.3	163.2	-63.4	119.2	0	0	0	111.4	V362 A399 T402 N420 P480	V362-W408 WeakPolarHBondContact CG2-O 3.42Å; A399-W408 PolarHBondContact O-N 3.46Å; T402-W408 HydrophobicContact CG2-CD2 3.95Å; T402-W408 HydrophobicContact CG2-CG 4.13Å; T402-W408 HydrophobicContact CG2-CZ2 3.95Å; W408-N420 WeakPolarHBondContact CA-OD1 3.45Å; W408-N420 HydrophobicContact CE3-CB 4.33Å; W408-P480 HydrophobicContact CE3-CG 3.94Å; W408-P480 HydrophobicContact CH2-CG 4.01Å; W408-P480 HydrophobicContact CZ3-CG 3.51Å
409	A	98.4	Very high	97.1	Very high	5 Å²	5	34.9 Å²	34.9	4%	0.041	19%	0.191	C	C	.	.	S	Bend	trans	-64	-40.9	174.9	0	0	0	0	0	113	S361 V362 N420 W421 E433	S361-A409 WeakPolarHBondContact CA-O 3.47Å; V362-A409 PolarHBondContact N-O 3.36Å; A409-N420 PolarHBondContact N-OD1 3.2Å; A409-W421 HydrophobicContact CB-CG 4.46Å; A409-E433 WeakPolarHBondContact CB-OE2 3.4Å
410	L	98.6	Very high	97.1	Very high	9 Å²	9	35.5 Å²	35.5	5%	0.047	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138.3	-179.5	-66.9	168.9	0	0	0	111	I360 G418 R419 W421	I360-L410 CarbonylContact O-C 3.51Å; I360-L410 VanDerWaalsContact O-CA 3.24Å; I360-L410 WeakPolarHBondContact O-CA 3.21Å; I360-L410 WeakPolarHBondContact O-CD2 3.41Å; L410-G418 CarbonylContact O-C 3.6Å; L410-G418 WeakPolarHBondContact O-CA 3.2Å; L410-R419 WeakPolarHBondContact CA-O 3.24Å; L410-R419 HydrophobicContact CB-CG 4.19Å; L410-R419 WeakPolarHBondContact CB-O 3.32Å; L410-R419 PolarHBondContact N-O 3.41Å; L410-R419 PolarHBondContact O-N 2.75Å; L410-W421 HydrophobicContact CD1-CD2 4.29Å; L410-W421 HydrophobicContact CD1-CE3 3.8Å; L410-W421 HydrophobicContact CD1-CH2 4.48Å; L410-W421 HydrophobicContact CD1-CZ3 3.91Å; L410-W421 HydrophobicContact CD2-CE3 4.46Å; L410-W421 HydrophobicContact CD2-CH2 3.69Å; L410-W421 HydrophobicContact CD2-CZ2 4.07Å; L410-W421 HydrophobicContact CD2-CZ3 3.91Å; L410-W421 HydrophobicContact CG-CD2 4.44Å; L410-W421 HydrophobicContact CG-CE3 4.3Å; L410-W421 HydrophobicContact CG-CH2 4.31Å; L410-W421 HydrophobicContact CG-CZ2 4.46Å; L410-W421 HydrophobicContact CG-CZ3 4.23Å
411	L	98.4	Very high	97.1	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.9	178.5	179.5	66.3	0	0	0	111.7	E359 I360 V362 K395 L396 P398 A399 M413	E359-L411 CarbonylContact C-O 3.53Å; E359-L411 WeakPolarHBondContact CA-O 3.45Å; I360-L411 HydrophobicContact CD1-CB 4.34Å; I360-L411 PolarHBondContact N-O 2.89Å; I360-L411 PolarHBondContact O-N 3.26Å; V362-L411 HydrophobicContact CG2-CB 3.61Å; K395-L411 WeakPolarHBondContact O-CD2 3.47Å; L396-L411 HydrophobicContact CD2-CD2 4.38Å; P398-L411 HydrophobicContact CB-CD1 4.14Å; A399-L411 HydrophobicContact CB-CD2 4.22Å; L411-M413 HydrophobicContact CD2-SD 4.1Å; L411-M413 HydrophobicContact CG-SD 4.46Å
412	N	97.8	Very high	97	Very high	20 Å²	20	40.4 Å²	40.4	11%	0.107	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	115.1	167.3	-179.9	-55.3	0	0	0	111.4	N357 A358 E359 K414 S415 G416 I417	N357-N412 PolarHBondContact OD1-ND2 3.28Å; A358-N412 VanDerWaalsContact O-CA 3.31Å; A358-N412 WeakPolarHBondContact O-CA 3.31Å; E359-N412 HydrophobicContact CG-CB 4.26Å; N412-K414 PolarHBondContact O-N 2.88Å; N412-K414 VanDerWaalsContact O-N 3.1Å; N412-K414 PolarHBondContact OD1-N 3.41Å; N412-S415 WeakPolarHBondContact CB-OG 3.45Å; N412-S415 VanDerWaalsContact CG-OG 3.31Å; N412-S415 PolarHBondContact O-N 2.92Å; N412-S415 PolarHBondContact OD1-N 3.1Å; N412-S415 PolarHBondContact OD1-OG 3.35Å; N412-G416 WeakPolarHBondContact O-CA 3.11Å; N412-G416 PolarHBondContact O-N 3.25Å; N412-I417 PolarHBondContact N-O 3.03Å
413	M	91.4	Very high	96.9	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.02	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.4	-172.3	-59.4	-62.1	-90.4	0	0	115	I320 F354 V356 A358 I360 L392 K395 L396 L411	I320-M413 HydrophobicContact CD1-CE 4.32Å; F354-M413 WeakPolarHBondContact O-CB 3.42Å; V356-M413 HydrophobicContact CG2-CB 4.26Å; A358-M413 PolarHBondContact O-N 3.09Å; I360-M413 HydrophobicContact CD1-SD 3.91Å; I360-M413 HydrophobicContact CG1-CE 4.45Å; I360-M413 HydrophobicContact CG1-CG 3.58Å; I360-M413 HydrophobicContact CG1-SD 3.56Å; I360-M413 VanDerWaalsContact CG1-SD 3.56Å; I360-M413 HydrophobicContact CG2-CG 4.16Å; L392-M413 HydrophobicContact CD1-CE 3.39Å; K395-M413 HydrophobicContact CB-CE 3.56Å; K395-M413 HydrophobicContact CB-SD 4.38Å; K395-M413 WeakPolarHBondContact CD-O 3.29Å; K395-M413 HydrophobicContact CG-CE 4.45Å; K395-M413 PolarHBondContact NZ-O 3.04Å; L396-M413 HydrophobicContact CD2-CE 3.92Å; L396-M413 HydrophobicContact CD2-SD 4.03Å; L411-M413 HydrophobicContact CD2-SD 4.1Å; L411-M413 HydrophobicContact CG-SD 4.46Å
414	K	91.1	Very high	96.8	Very high	129 Å²	129	42.7 Å²	42.7	56%	0.561	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105	-37.9	177.6	-169.9	169.9	-170.7	163.9	0	113.5	V356 N357 N412	V356-K414 WeakPolarHBondContact O-CB 3.43Å; V356-K414 PolarHBondContact O-N 3.17Å; N357-K414 HydrophobicContact CB-CB 4.27Å; N357-K414 HydrophobicContact CB-CD 3.9Å; N412-K414 PolarHBondContact O-N 2.88Å; N412-K414 VanDerWaalsContact O-N 3.1Å; N412-K414 PolarHBondContact OD1-N 3.41Å
415	S	94.3	Very high	96.4	Very high	63 Å²	63	43 Å²	43	44%	0.441	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-20.2	-180	66.9	0	0	0	0	113.9	N412 I417	N412-S415 WeakPolarHBondContact CB-OG 3.45Å; N412-S415 VanDerWaalsContact CG-OG 3.31Å; N412-S415 PolarHBondContact O-N 2.92Å; N412-S415 PolarHBondContact OD1-N 3.1Å; N412-S415 PolarHBondContact OD1-OG 3.35Å; S415-I417 PolarHBondContact O-N 2.92Å; S415-I417 WeakPolarHBondContact OG-CG1 2.95Å; S415-I417 PolarHBondContact OG-N 3.4Å
416	G	94.4	Very high	96	Very high	25 Å²	25	45.6 Å²	45.6	26%	0.258	25%	0.251	S	S	.	.			trans	71	11.7	-172.2	0	0	0	0	0	113.7	P398 N412	P398-G416 WeakPolarHBondContact CB-O 3.26Å; N412-G416 WeakPolarHBondContact O-CA 3.11Å; N412-G416 PolarHBondContact O-N 3.25Å
417	I	96.9	Very high	95.8	Very high	116 Å²	116	47.3 Å²	47.3	60%	0.595	27%	0.27	S	S	*	.			trans	-85	123.9	177.6	-59.7	172.6	0	0	0	108.5	N412 S415	N412-I417 PolarHBondContact N-O 3.03Å; S415-I417 PolarHBondContact O-N 2.92Å; S415-I417 WeakPolarHBondContact OG-CG1 2.95Å; S415-I417 PolarHBondContact OG-N 3.4Å
418	G	97.3	Very high	95.8	Very high	15 Å²	15	47.2 Å²	47.2	16%	0.155	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	163.3	174.4	0	0	0	0	0	113.7	L410	L410-G418 CarbonylContact O-C 3.6Å; L410-G418 WeakPolarHBondContact O-CA 3.2Å
419	R	98	Very high	95.8	Very high	88 Å²	88	44.5 Å²	44.5	33%	0.332	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	167.8	174.6	63.6	178.4	-176.5	82.6	-0.5	110.9	E359 L410	E359-R419 WeakPolarHBondContact OE1-CD 3.32Å; E359-R419 IonicContact OE1-CZ 3.72Å; E359-R419 IonicContact OE1-NE 3.25Å; E359-R419 PolarHBondContact OE1-NE 3.4Å; E359-R419 IonicContact OE1-NH2 3.17Å; E359-R419 IonicContact OE2-CZ 2.71Å; E359-R419 IonicContact OE2-NE 3.49Å; E359-R419 PolarHBondContact OE2-NE 2.87Å; E359-R419 IonicContact OE2-NH2 2.71Å; E359-R419 PolarHBondContact OE2-NH2 3.11Å; L410-R419 WeakPolarHBondContact CA-O 3.24Å; L410-R419 HydrophobicContact CB-CG 4.19Å; L410-R419 WeakPolarHBondContact CB-O 3.32Å; L410-R419 PolarHBondContact N-O 3.41Å; L410-R419 PolarHBondContact O-N 2.75Å
420	N	98.5	Very high	95.8	Very high	13 Å²	13	44.3 Å²	44.3	7%	0.07	26%	0.257	C	S	.	.			trans	-91.4	171.8	170.7	-76.2	-23.5	0	0	0	113.3	W408 A409 G427 S428 S429 P480	W408-N420 WeakPolarHBondContact CA-OD1 3.45Å; W408-N420 HydrophobicContact CE3-CB 4.33Å; A409-N420 PolarHBondContact N-OD1 3.2Å; N420-G427 WeakPolarHBondContact CB-O 3.49Å; N420-G427 PolarHBondContact ND2-O 3.32Å; N420-S428 PolarHBondContact ND2-O 3.07Å; N420-S429 PolarHBondContact ND2-N 2.7Å; N420-S429 PolarHBondContact ND2-OG 3.16Å; N420-S429 PolarHBondContact OD1-OG 3.35Å; N420-P480 WeakPolarHBondContact ND2-CG 3.35Å
421	W	97.3	Very high	95.8	Very high	48 Å²	48	43.9 Å²	43.9	18%	0.182	26%	0.255	C	S	.	.			trans	-59.7	137.3	176.1	-66	112.6	0	0	0	111.7	L316 A409 L410 W423 A424 E433	L316-W421 HydrophobicContact CD2-CH2 3.81Å; L316-W421 HydrophobicContact CD2-CZ2 4.28Å; A409-W421 HydrophobicContact CB-CG 4.46Å; L410-W421 HydrophobicContact CD1-CD2 4.29Å; L410-W421 HydrophobicContact CD1-CE3 3.8Å; L410-W421 HydrophobicContact CD1-CH2 4.48Å; L410-W421 HydrophobicContact CD1-CZ3 3.91Å; L410-W421 HydrophobicContact CD2-CE3 4.46Å; L410-W421 HydrophobicContact CD2-CH2 3.69Å; L410-W421 HydrophobicContact CD2-CZ2 4.07Å; L410-W421 HydrophobicContact CD2-CZ3 3.91Å; L410-W421 HydrophobicContact CG-CD2 4.44Å; L410-W421 HydrophobicContact CG-CE3 4.3Å; L410-W421 HydrophobicContact CG-CH2 4.31Å; L410-W421 HydrophobicContact CG-CZ2 4.46Å; L410-W421 HydrophobicContact CG-CZ3 4.23Å; W421-W423 HydrophobicContact CB-CD2 4.12Å; W421-W423 HydrophobicContact CB-CG 4.38Å; W421-W423 HydrophobicContact CB-CZ2 3.91Å; W421-W423 AromaticContact CD1-CZ2 3.76Å; W421-W423 HydrophobicContact CD2-CZ2 4.19Å; W421-W423 AromaticContact CG-CE2 3.84Å; W421-W423 HydrophobicContact CG-CH2 4.5Å; W421-W423 AromaticContact CG-CZ2 3.69Å; W421-W423 HydrophobicContact CG-CZ2 3.69Å; W421-W423 AromaticContact CG-NE1 3.92Å; W421-W423 PolarHBondContact O-N 2.88Å; W421-W423 VanDerWaalsContact O-N 3.1Å; W421-A424 HydrophobicContact CB-CB 4.04Å; W421-A424 PolarHBondContact O-N 3.31Å; W421-A424 VanDerWaalsContact O-N 3.09Å; W421-E433 PolarHBondContact NE1-OE1 3.31Å; W421-E433 PolarHBondContact NE1-OE2 2.94Å
422	P	96	Very high	95.9	Very high	112 Å²	112	44 Å²	44	73%	0.727	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.3	-178.4	-23.3	34.7	0	0	0	114.7
423	W	95.8	Very high	95.9	Very high	144 Å²	144	44.2 Å²	44.2	55%	0.545	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-9	179.3	56.8	-101.7	0	0	0	113.5	W421 I430 Y477 L495	W421-W423 HydrophobicContact CB-CD2 4.12Å; W421-W423 HydrophobicContact CB-CG 4.38Å; W421-W423 HydrophobicContact CB-CZ2 3.91Å; W421-W423 AromaticContact CD1-CZ2 3.76Å; W421-W423 HydrophobicContact CD2-CZ2 4.19Å; W421-W423 AromaticContact CG-CE2 3.84Å; W421-W423 HydrophobicContact CG-CH2 4.5Å; W421-W423 AromaticContact CG-CZ2 3.69Å; W421-W423 HydrophobicContact CG-CZ2 3.69Å; W421-W423 AromaticContact CG-NE1 3.92Å; W421-W423 PolarHBondContact O-N 2.88Å; W421-W423 VanDerWaalsContact O-N 3.1Å; W423-I430 HydrophobicContact CH2-CD1 4.01Å; W423-I430 HydrophobicContact CH2-CG1 4.37Å; W423-I430 HydrophobicContact CZ3-CD1 4.16Å; W423-Y477 HydrophobicContact CZ3-CE1 4.26Å; W423-L495 HydrophobicContact CH2-CD2 3.93Å; W423-L495 HydrophobicContact CZ3-CD1 4.48Å
424	A	95.9	Very high	96.3	Very high	7 Å²	7	44.2 Å²	44.2	6%	0.058	26%	0.256	C	S	.	.	S	Bend	trans	-70.3	135.9	-175.6	0	0	0	0	0	111.6	W421 G426 G427 S428 I430 Y477	W421-A424 HydrophobicContact CB-CB 4.04Å; W421-A424 PolarHBondContact O-N 3.31Å; W421-A424 VanDerWaalsContact O-N 3.09Å; A424-G426 PolarHBondContact O-N 3.4Å; A424-G427 PolarHBondContact O-N 2.89Å; A424-S428 VanDerWaalsContact CB-O 3.25Å; A424-S428 WeakPolarHBondContact CB-O 3.25Å; A424-I430 HydrophobicContact CB-CD1 4.29Å; A424-Y477 HydrophobicContact CB-CE1 4.39Å
425	S	89.7	Confident	96.6	Very high	30 Å²	30	38.5 Å²	38.5	21%	0.21	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-59.1	122	-171.9	-167.4	0	0	0	0	111.9	G427 S428 Q487	S425-G427 PolarHBondContact O-N 3.3Å; S425-S428 WeakPolarHBondContact O-CB 3.49Å; S425-S428 PolarHBondContact O-N 2.94Å; S425-S428 PolarHBondContact O-OG 2.89Å; S425-Q487 WeakPolarHBondContact OG-CG 3.27Å; S425-Q487 PolarHBondContact OG-OE1 3.2Å
426	G	91	Very high	96.8	Very high	66 Å²	66	35.5 Å²	35.5	68%	0.68	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	60	22.6	-176.5	0	0	0	0	0	114.8	A424 S428 N479	A424-G426 PolarHBondContact O-N 3.4Å; G426-S428 VanDerWaalsContact C-N 3.25Å; G426-S428 PolarHBondContact O-N 3.44Å; G426-N479 PolarHBondContact O-ND2 3.2Å
427	G	94.4	Very high	97.1	Very high	37 Å²	37	34.3 Å²	34.3	38%	0.381	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	67.5	23.5	-174	0	0	0	0	0	113.9	N420 A424 S425	N420-G427 WeakPolarHBondContact CB-O 3.49Å; N420-G427 PolarHBondContact ND2-O 3.32Å; A424-G427 PolarHBondContact O-N 2.89Å; S425-G427 PolarHBondContact O-N 3.3Å
428	S	98.3	Very high	97.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-71.5	156	-177.7	-58.2	0	0	0	0	113.6	N420 A424 S425 G426 L478	N420-S428 PolarHBondContact ND2-O 3.07Å; A424-S428 VanDerWaalsContact CB-O 3.25Å; A424-S428 WeakPolarHBondContact CB-O 3.25Å; S425-S428 WeakPolarHBondContact O-CB 3.49Å; S425-S428 PolarHBondContact O-N 2.94Å; S425-S428 PolarHBondContact O-OG 2.89Å; G426-S428 VanDerWaalsContact C-N 3.25Å; G426-S428 PolarHBondContact O-N 3.44Å; S428-L478 WeakPolarHBondContact CB-O 3.49Å
429	S	98.6	Very high	97.2	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.014	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	153.8	166.6	-52.4	0	0	0	0	109.2	P407 N420 Y477 L478	P407-S429 WeakPolarHBondContact O-CB 3.41Å; P407-S429 PolarHBondContact O-OG 2.98Å; N420-S429 PolarHBondContact ND2-N 2.7Å; N420-S429 PolarHBondContact ND2-OG 3.16Å; N420-S429 PolarHBondContact OD1-OG 3.35Å; S429-Y477 WeakPolarHBondContact O-CA 3.45Å; S429-L478 PolarHBondContact N-O 2.66Å; S429-L478 PolarHBondContact O-N 2.76Å
430	I	98.8	Very high	97.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	136.6	-174.5	-57	-56.4	0	0	0	111.1	W423 A424 A432 E433 F434 N476 Y477 L495	W423-I430 HydrophobicContact CH2-CD1 4.01Å; W423-I430 HydrophobicContact CH2-CG1 4.37Å; W423-I430 HydrophobicContact CZ3-CD1 4.16Å; A424-I430 HydrophobicContact CB-CD1 4.29Å; I430-A432 PolarHBondContact O-N 2.91Å; I430-E433 HydrophobicContact CB-CB 4Å; I430-E433 HydrophobicContact CB-CG 3.75Å; I430-E433 HydrophobicContact CG1-CG 4.4Å; I430-E433 WeakPolarHBondContact CG1-OE2 3.42Å; I430-E433 HydrophobicContact CG2-CG 4.04Å; I430-E433 PolarHBondContact O-N 3.29Å; I430-E433 VanDerWaalsContact O-N 3.12Å; I430-F434 WeakPolarHBondContact O-CD1 3.18Å; I430-F434 WeakPolarHBondContact O-CE1 3.31Å; I430-F434 PolarHBondContact O-N 2.66Å; I430-F434 VanDerWaalsContact O-N 3.11Å; I430-N476 WeakPolarHBondContact CA-O 3.45Å; I430-Y477 HydrophobicContact CD1-CD1 3.74Å; I430-Y477 HydrophobicContact CD1-CE1 3.5Å; I430-L495 HydrophobicContact CD1-CD2 4.34Å; I430-L495 HydrophobicContact CG1-CD2 4.35Å; I430-L495 HydrophobicContact CG2-CB 3.65Å; I430-L495 HydrophobicContact CG2-CD2 3.69Å; I430-L495 HydrophobicContact CG2-CG 4.26Å; I430-L495 WeakPolarHBondContact CG2-O 3.33Å
431	L	98.9	Very high	97.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.5	-48.6	-173.7	178	65.9	0	0	0	113.4	F434 G435 L464 N476 F499	L431-F434 HydrophobicContact CB-CZ 4.41Å; L431-F434 HydrophobicContact CD1-CE2 3.88Å; L431-F434 HydrophobicContact CD1-CZ 3.88Å; L431-G435 WeakPolarHBondContact O-CA 3.43Å; L431-G435 PolarHBondContact O-N 3.12Å; L431-L464 HydrophobicContact CD1-CD2 4.37Å; L431-N476 PolarHBondContact N-O 3.47Å; L431-F499 HydrophobicContact CD1-CB 4.38Å; L431-F499 HydrophobicContact CD1-CD1 3.82Å; L431-F499 HydrophobicContact CD1-CD2 4.04Å; L431-F499 HydrophobicContact CD1-CE1 4.06Å; L431-F499 HydrophobicContact CD1-CE2 4.28Å; L431-F499 HydrophobicContact CD1-CG 3.8Å; L431-F499 HydrophobicContact CD1-CZ 4.27Å; L431-F499 HydrophobicContact CD2-CD1 3.75Å; L431-F499 HydrophobicContact CD2-CE1 4.25Å; L431-F499 HydrophobicContact CD2-CG 4.31Å; L431-F499 HydrophobicContact CG-CB 3.95Å; L431-F499 HydrophobicContact CG-CD1 3.78Å; L431-F499 HydrophobicContact CG-CE1 4.43Å; L431-F499 HydrophobicContact CG-CG 3.82Å
432	A	98.8	Very high	97.4	Very high	4 Å²	4	23.7 Å²	23.7	3%	0.033	15%	0.151	C	C	.	.	H	α-helix	trans	-60.5	-48.5	173.5	0	0	0	0	0	111.4	I430 F434 G435 T436 L495 D497	I430-A432 PolarHBondContact O-N 2.91Å; A432-F434 VanDerWaalsContact C-N 3.33Å; A432-F434 PolarHBondContact O-N 2.65Å; A432-G435 PolarHBondContact O-N 3.19Å; A432-G435 VanDerWaalsContact O-N 3.16Å; A432-T436 VanDerWaalsContact O-CB 3.26Å; A432-T436 WeakPolarHBondContact O-CB 3.29Å; A432-T436 PolarHBondContact O-N 3.36Å; A432-T436 PolarHBondContact O-OG1 3.34Å; A432-L495 PolarHBondContact N-O 3.36Å; A432-D497 WeakPolarHBondContact CB-OD1 3.44Å
433	E	98.8	Very high	97.5	Very high	24 Å²	24	18.4 Å²	18.4	11%	0.112	12%	0.116	C	C	.	.	H	α-helix	trans	-58.2	-39.5	-174.9	-66.9	175.1	-178.4	0	0	114.1	F363 A409 W421 I430	F363-E433 HydrophobicContact CB-CB 3.76Å; F363-E433 HydrophobicContact CB-CG 3.86Å; F363-E433 HydrophobicContact CD1-CG 4.06Å; F363-E433 HydrophobicContact CG-CB 4.15Å; F363-E433 HydrophobicContact CG-CG 3.98Å; A409-E433 WeakPolarHBondContact CB-OE2 3.4Å; W421-E433 PolarHBondContact NE1-OE1 3.31Å; W421-E433 PolarHBondContact NE1-OE2 2.94Å; I430-E433 HydrophobicContact CB-CB 4Å; I430-E433 HydrophobicContact CB-CG 3.75Å; I430-E433 HydrophobicContact CG1-CG 4.4Å; I430-E433 WeakPolarHBondContact CG1-OE2 3.42Å; I430-E433 HydrophobicContact CG2-CG 4.04Å; I430-E433 PolarHBondContact O-N 3.29Å; I430-E433 VanDerWaalsContact O-N 3.12Å
434	F	98.8	Very high	97.6	Very high	4 Å²	4	11.5 Å²	11.5	2%	0.018	9%	0.09	C	C	.	.	H	α-helix	trans	-91.5	-23.4	176	66.7	-112	0	0	0	113.8	I406 P407 I430 L431 A432 I460 L464 L478	I406-F434 HydrophobicContact CD1-CD2 4.46Å; I406-F434 HydrophobicContact CD1-CE2 4.43Å; I406-F434 HydrophobicContact CG2-CB 4.49Å; I406-F434 HydrophobicContact CG2-CD1 3.76Å; I406-F434 HydrophobicContact CG2-CE1 4.05Å; I406-F434 HydrophobicContact CG2-CG 4.05Å; P407-F434 HydrophobicContact CG-CB 3.68Å; I430-F434 WeakPolarHBondContact O-CD1 3.18Å; I430-F434 WeakPolarHBondContact O-CE1 3.31Å; I430-F434 PolarHBondContact O-N 2.66Å; I430-F434 VanDerWaalsContact O-N 3.11Å; L431-F434 HydrophobicContact CB-CZ 4.41Å; L431-F434 HydrophobicContact CD1-CE2 3.88Å; L431-F434 HydrophobicContact CD1-CZ 3.88Å; A432-F434 VanDerWaalsContact C-N 3.33Å; A432-F434 PolarHBondContact O-N 2.65Å; F434-I460 HydrophobicContact CB-CD1 4.26Å; F434-I460 HydrophobicContact CD2-CG2 3.71Å; F434-I460 HydrophobicContact CE2-CG2 4.18Å; F434-I460 VanDerWaalsContact O-CD1 3.32Å; F434-I460 WeakPolarHBondContact O-CD1 3.42Å; F434-L464 HydrophobicContact CE2-CD1 4.32Å; F434-L464 HydrophobicContact CE2-CD2 4.14Å; F434-L464 HydrophobicContact CE2-CG 4.5Å; F434-L478 HydrophobicContact CE1-CB 3.77Å; F434-L478 HydrophobicContact CE2-CD1 4.33Å; F434-L478 HydrophobicContact CZ-CB 3.69Å; F434-L478 HydrophobicContact CZ-CD1 3.77Å; F434-L478 HydrophobicContact CZ-CG 4.39Å
435	G	98.7	Very high	97.7	Very high	9 Å²	9	11.9 Å²	11.9	9%	0.093	9%	0.092	C	C	.	.	H	α-helix	trans	-68.5	-39.7	174.4	0	0	0	0	0	112.4	L431 A432 L437	L431-G435 WeakPolarHBondContact O-CA 3.43Å; L431-G435 PolarHBondContact O-N 3.12Å; A432-G435 PolarHBondContact O-N 3.19Å; A432-G435 VanDerWaalsContact O-N 3.16Å; G435-L437 PolarHBondContact O-N 3.39Å; G435-L437 VanDerWaalsContact O-N 3.09Å
436	T	98.9	Very high	98	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	43.7	-169.9	-44.4	0	0	0	0	112.2	F363 N366 I367 A432 S498 F499 Y502 S717	F363-T436 HydrophobicContact CD2-CG2 4.5Å; F363-T436 HydrophobicContact CE2-CG2 3.89Å; N366-T436 PolarHBondContact ND2-O 2.9Å; N366-T436 VanDerWaalsContact ND2-O 3.17Å; I367-T436 HydrophobicContact CG2-CG2 3.87Å; A432-T436 VanDerWaalsContact O-CB 3.26Å; A432-T436 WeakPolarHBondContact O-CB 3.29Å; A432-T436 PolarHBondContact O-N 3.36Å; A432-T436 PolarHBondContact O-OG1 3.34Å; T436-S498 WeakPolarHBondContact CG2-OG 3.22Å; T436-S498 VanDerWaalsContact OG1-CB 3.29Å; T436-S498 WeakPolarHBondContact OG1-CB 3.24Å; T436-S498 PolarHBondContact OG1-O 2.89Å; T436-S498 PolarHBondContact OG1-OG 3.4Å; T436-F499 PolarHBondContact OG1-N 2.69Å; T436-Y502 VanDerWaalsContact CA-CD2 3.46Å; T436-Y502 HydrophobicContact CG2-CD1 3.83Å; T436-Y502 HydrophobicContact CG2-CD2 3.87Å; T436-Y502 HydrophobicContact CG2-CE1 3.53Å; T436-Y502 HydrophobicContact CG2-CE2 3.53Å; T436-Y502 HydrophobicContact CG2-CG 4Å; T436-S717 VanDerWaalsContact CG2-CB 3.41Å
437	L	98.9	Very high	98.3	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-8.5	173.6	-56.1	177.7	0	0	0	112.5	V362 N366 F400 P407 G435 F441 V457	V362-L437 HydrophobicContact CG1-CD2 4.48Å; N366-L437 HydrophobicContact CB-CD2 3.57Å; F400-L437 HydrophobicContact CE1-CD1 4.23Å; F400-L437 HydrophobicContact CZ-CD1 3.83Å; P407-L437 HydrophobicContact CG-CD1 3.9Å; G435-L437 PolarHBondContact O-N 3.39Å; G435-L437 VanDerWaalsContact O-N 3.09Å; L437-F441 HydrophobicContact CB-CD2 4.31Å; L437-F441 WeakPolarHBondContact O-CB 3.38Å; L437-F441 VanDerWaalsContact O-CD2 3.28Å; L437-F441 WeakPolarHBondContact O-CD2 3.48Å; L437-F441 PolarHBondContact O-N 2.97Å; L437-V457 HydrophobicContact CB-CG1 4Å
438	H	98.9	Very high	98.3	Very high	11 Å²	11	10.9 Å²	10.9	5%	0.051	6%	0.057	C	C	.	.	H	α-helix	trans	-72	-43.2	-161	-164	100	0	0	0	113.7	M442 R461 Y502	H438-M442 WeakPolarHBondContact O-CB 3.48Å; H438-M442 WeakPolarHBondContact O-CG 3.25Å; H438-M442 PolarHBondContact O-N 3.26Å; H438-M442 VanDerWaalsContact O-N 3.14Å; H438-R461 PolarHBondContact CE1-NH2 2.83Å; H438-R461 PolarHBondContact NE2-NH2 3.11Å; H438-Y502 HydrophobicContact CB-CD2 4.14Å
439	L	98.9	Very high	98.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67	-49.2	-174.8	-51.6	-180	0	0	0	110.4	F441 M442 H443 Y502 K505 A506 M509 I714 N716 L722	L439-F441 PolarHBondContact O-N 2.87Å; L439-M442 PolarHBondContact O-N 3.36Å; L439-H443 PolarHBondContact O-CD2 2.93Å; L439-H443 VanDerWaalsContact O-CD2 3.31Å; L439-H443 PolarHBondContact O-N 3.19Å; L439-Y502 HydrophobicContact CB-CE2 4.04Å; L439-Y502 HydrophobicContact CD1-CD1 3.98Å; L439-Y502 HydrophobicContact CD1-CD2 4.21Å; L439-Y502 HydrophobicContact CD1-CE1 3.59Å; L439-Y502 HydrophobicContact CD1-CE2 3.88Å; L439-Y502 HydrophobicContact CD1-CG 4.28Å; L439-Y502 HydrophobicContact CG-CD1 4.32Å; L439-Y502 HydrophobicContact CG-CD2 3.71Å; L439-Y502 HydrophobicContact CG-CE1 4.17Å; L439-Y502 HydrophobicContact CG-CE2 3.58Å; L439-Y502 HydrophobicContact CG-CG 4.1Å; L439-K505 HydrophobicContact CD1-CB 3.91Å; L439-K505 HydrophobicContact CD1-CD 4.35Å; L439-K505 HydrophobicContact CD2-CB 4.1Å; L439-A506 HydrophobicContact CD2-CB 4.05Å; L439-M509 HydrophobicContact CB-SD 3.75Å; L439-M509 HydrophobicContact CD2-CB 4.36Å; L439-M509 HydrophobicContact CD2-CE 4.05Å; L439-M509 HydrophobicContact CD2-SD 3.6Å; L439-M509 VanDerWaalsContact CD2-SD 3.6Å; L439-M509 HydrophobicContact CG-SD 4.18Å; L439-I714 HydrophobicContact CD1-CG2 4.38Å; L439-N716 HydrophobicContact CD1-CB 4.26Å; L439-L722 HydrophobicContact CB-CD1 3.65Å; L439-L722 HydrophobicContact CD1-CD1 4.48Å
440	E	98.9	Very high	98	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.2	-44.3	-178	-56.8	76.4	-167.8	0	0	111	N366 V370 L374 M442 H443 L444 Y502 N716	N366-E440 PolarHBondContact ND2-OE2 2.91Å; N366-E440 WeakPolarHBondContact OD1-CB 3.49Å; V370-E440 HydrophobicContact CB-CB 4.39Å; V370-E440 HydrophobicContact CB-CG 4.49Å; V370-E440 HydrophobicContact CG1-CB 3.92Å; V370-E440 HydrophobicContact CG1-CG 4.43Å; L374-E440 HydrophobicContact CD1-CB 4.07Å; L374-E440 HydrophobicContact CD1-CG 4.41Å; E440-M442 VanDerWaalsContact C-N 3.32Å; E440-M442 PolarHBondContact O-N 3Å; E440-H443 PolarHBondContact O-N 3.32Å; E440-L444 WeakPolarHBondContact O-CB 3.43Å; E440-L444 VanDerWaalsContact O-CG 3.28Å; E440-L444 WeakPolarHBondContact O-CG 3.41Å; E440-L444 PolarHBondContact O-N 3.44Å; E440-Y502 PolarHBondContact OE1-OH 3.5Å; E440-Y502 WeakPolarHBondContact OE2-CE2 3.48Å; E440-N716 WeakPolarHBondContact OE1-CB 3.46Å; E440-N716 PolarHBondContact OE1-ND2 3.39Å
441	F	98.9	Very high	97.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.6	-29.4	179.8	-83.8	-122.3	0	0	0	112.8	N366 L396 F400 L437 L439 L444 S445 F453 V457	N366-F441 WeakPolarHBondContact OD1-CD2 3.3Å; N366-F441 VanDerWaalsContact OD1-CE2 3.3Å; N366-F441 WeakPolarHBondContact OD1-CE2 3.35Å; L396-F441 HydrophobicContact CB-CZ 4.22Å; L396-F441 HydrophobicContact CD1-CE2 4.47Å; F400-F441 HydrophobicContact CE2-CD1 4.44Å; F400-F441 AromaticContact CE2-CE1 3.43Å; F400-F441 HydrophobicContact CE2-CE1 3.43Å; F400-F441 VanDerWaalsContact CE2-CE1 3.43Å; F400-F441 AromaticContact CE2-CZ 3.67Å; F400-F441 HydrophobicContact CE2-CZ 3.67Å; F400-F441 HydrophobicContact CZ-CD1 4.16Å; F400-F441 AromaticContact CZ-CE1 3.51Å; F400-F441 HydrophobicContact CZ-CE1 3.51Å; F400-F441 AromaticContact CZ-CZ 3.82Å; F400-F441 HydrophobicContact CZ-CZ 3.82Å; L437-F441 HydrophobicContact CB-CD2 4.31Å; L437-F441 WeakPolarHBondContact O-CB 3.38Å; L437-F441 VanDerWaalsContact O-CD2 3.28Å; L437-F441 WeakPolarHBondContact O-CD2 3.48Å; L437-F441 PolarHBondContact O-N 2.97Å; L439-F441 PolarHBondContact O-N 2.87Å; F441-L444 HydrophobicContact CD2-CD1 4.23Å; F441-L444 HydrophobicContact CE2-CD1 4.42Å; F441-S445 PolarHBondContact O-N 3.33Å; F441-S445 VanDerWaalsContact O-N 3.08Å; F441-S445 PolarHBondContact O-OG 3.07Å; F441-F453 HydrophobicContact CB-CB 3.96Å; F441-F453 HydrophobicContact CD1-CB 3.66Å; F441-F453 HydrophobicContact CD1-CD1 4.2Å; F441-F453 HydrophobicContact CD1-CG 4.44Å; F441-F453 WeakPolarHBondContact CD1-O 3.3Å; F441-F453 HydrophobicContact CE1-CB 4.46Å; F441-F453 HydrophobicContact CE1-CD1 4.19Å; F441-F453 HydrophobicContact CG-CB 4.09Å; F441-F453 WeakPolarHBondContact O-CB 3.46Å; F441-V457 HydrophobicContact CB-CB 4.47Å; F441-V457 HydrophobicContact CB-CG1 3.63Å; F441-V457 HydrophobicContact CB-CG2 3.98Å; F441-V457 HydrophobicContact CD1-CG1 3.98Å; F441-V457 HydrophobicContact CG-CG1 3.81Å
442	M	98.8	Very high	97.8	Very high	46 Å²	46	20.3 Å²	20.3	23%	0.227	13%	0.125	C	C	.	.	H	α-helix	trans	-69.6	-43.9	171	-71.1	-64.4	-71.1	0	0	111.4	H438 L439 E440 S445 H446 A454 M458 M509 L725	H438-M442 WeakPolarHBondContact O-CB 3.48Å; H438-M442 WeakPolarHBondContact O-CG 3.25Å; H438-M442 PolarHBondContact O-N 3.26Å; H438-M442 VanDerWaalsContact O-N 3.14Å; L439-M442 PolarHBondContact O-N 3.36Å; E440-M442 VanDerWaalsContact C-N 3.32Å; E440-M442 PolarHBondContact O-N 3Å; M442-S445 WeakPolarHBondContact O-CB 3.46Å; M442-S445 PolarHBondContact O-N 2.93Å; M442-H446 PolarHBondContact O-N 3.17Å; M442-A454 HydrophobicContact SD-CB 3.51Å; M442-A454 VanDerWaalsContact SD-CB 3.51Å; M442-M458 HydrophobicContact CE-CE 4.08Å; M442-M458 HydrophobicContact SD-CE 3.93Å; M442-M509 HydrophobicContact CB-CE 3.74Å; M442-M509 HydrophobicContact CG-CE 4.31Å; M442-L725 HydrophobicContact CB-CD1 4.35Å
443	H	98.6	Very high	97.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.8	-36.9	174.1	-82	-77.8	0	0	0	113.5	L374 Y378 L439 E440 S445 H446 L447 M509 P723 L725	L374-H443 HydrophobicContact CD1-CB 3.81Å; L374-H443 HydrophobicContact CD2-CB 4.19Å; Y378-H443 AromaticContact CE2-ND1 3.58Å; Y378-H443 AromaticContact CZ-ND1 3.42Å; Y378-H443 PolarHBondContact OH-ND1 3.32Å; L439-H443 PolarHBondContact O-CD2 2.93Å; L439-H443 VanDerWaalsContact O-CD2 3.31Å; L439-H443 PolarHBondContact O-N 3.19Å; E440-H443 PolarHBondContact O-N 3.32Å; H443-S445 VanDerWaalsContact C-N 3.29Å; H443-S445 PolarHBondContact O-N 3.43Å; H443-H446 PolarHBondContact O-N 3.35Å; H443-L447 WeakPolarHBondContact O-CB 3.16Å; H443-L447 PolarHBondContact O-N 2.98Å; H443-M509 PolarHBondContact CD2-SD 3.28Å; H443-M509 PolarHBondContact NE2-SD 3.1Å; H443-P723 PolarHBondContact CE1-O 3.31Å; H443-P723 PolarHBondContact NE2-O 3.17Å; H443-L725 VanDerWaalsContact CE1-CD2 3.46Å; H443-L725 WeakPolarHBondContact CE1-CD2 3.37Å; H443-L725 VanDerWaalsContact CE1-CG 3.43Å; H443-L725 WeakPolarHBondContact CE1-CG 3.4Å
444	L	98.6	Very high	97.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.2	-41.2	171.1	-76.6	175.1	0	0	0	111.1	V370 A389 V390 E440 F441 S448 F453	V370-L444 HydrophobicContact CG1-CD1 3.89Å; V370-L444 HydrophobicContact CG1-CD2 4.06Å; V370-L444 HydrophobicContact CG1-CG 4Å; A389-L444 HydrophobicContact CB-CD2 4.28Å; A389-L444 WeakPolarHBondContact O-CD2 3.31Å; V390-L444 HydrophobicContact CB-CD2 4.5Å; V390-L444 HydrophobicContact CG2-CD2 3.92Å; E440-L444 WeakPolarHBondContact O-CB 3.43Å; E440-L444 VanDerWaalsContact O-CG 3.28Å; E440-L444 WeakPolarHBondContact O-CG 3.41Å; E440-L444 PolarHBondContact O-N 3.44Å; F441-L444 HydrophobicContact CD2-CD1 4.23Å; F441-L444 HydrophobicContact CE2-CD1 4.42Å; L444-S448 WeakPolarHBondContact O-CB 3.47Å; L444-S448 PolarHBondContact O-N 3.05Å; L444-S448 PolarHBondContact O-OG 2.82Å; L444-F453 HydrophobicContact CB-CB 4.14Å; L444-F453 HydrophobicContact CB-CD1 4.4Å; L444-F453 HydrophobicContact CB-CD2 3.79Å; L444-F453 HydrophobicContact CB-CE2 4.28Å; L444-F453 HydrophobicContact CB-CG 3.86Å; L444-F453 HydrophobicContact CD1-CD1 4.15Å; L444-F453 HydrophobicContact CD1-CG 4.38Å
445	S	97.9	Very high	97.8	Very high	15 Å²	15	24.2 Å²	24.2	11%	0.105	15%	0.146	C	C	.	.	H	α-helix	trans	-64.6	-45.4	176	-55.1	0	0	0	0	112	F441 M442 H443 S448 G449 N450 F453 A454	F441-S445 PolarHBondContact O-N 3.33Å; F441-S445 VanDerWaalsContact O-N 3.08Å; F441-S445 PolarHBondContact O-OG 3.07Å; M442-S445 WeakPolarHBondContact O-CB 3.46Å; M442-S445 PolarHBondContact O-N 2.93Å; H443-S445 VanDerWaalsContact C-N 3.29Å; H443-S445 PolarHBondContact O-N 3.43Å; S445-S448 PolarHBondContact O-OG 3.41Å; S445-G449 WeakPolarHBondContact O-CA 3.34Å; S445-G449 PolarHBondContact O-N 3.25Å; S445-N450 WeakPolarHBondContact CA-O 3.32Å; S445-F453 WeakPolarHBondContact OG-CB 3.45Å; S445-A454 VanDerWaalsContact OG-CB 3.29Å; S445-A454 WeakPolarHBondContact OG-CB 3.25Å; S445-A454 PolarHBondContact OG-N 3.47Å
446	H	96.1	Very high	97.8	Very high	102 Å²	102	25.6 Å²	25.6	47%	0.472	15%	0.149	S	C	.	.	H	α-helix	trans	-59.9	-53.6	177.5	176	67.7	0	0	0	111.7	M442 H443 S448 L725	M442-H446 PolarHBondContact O-N 3.17Å; H443-H446 PolarHBondContact O-N 3.35Å; H446-S448 PolarHBondContact O-N 3.43Å; H446-L725 HydrophobicContact CB-CD1 4.39Å; H446-L725 HydrophobicContact CB-CD2 4.13Å
447	L	95.9	Very high	97.8	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-72.9	-23	-177.1	-67.2	-174.2	0	0	0	114.4	V258 L374 Y377 Y378 R386 H443	V258-L447 HydrophobicContact CG1-CD2 4.28Å; L374-L447 HydrophobicContact CD2-CD1 3.63Å; Y377-L447 HydrophobicContact CD1-CD1 3.72Å; Y377-L447 HydrophobicContact CD1-CD2 4.39Å; Y377-L447 HydrophobicContact CE1-CD1 3.87Å; Y377-L447 HydrophobicContact CE1-CD2 3.74Å; Y377-L447 HydrophobicContact CE1-CG 4.48Å; Y378-L447 HydrophobicContact CE1-CD1 4.36Å; Y378-L447 HydrophobicContact CE1-CD2 4.04Å; Y378-L447 HydrophobicContact CE2-CD1 4.36Å; Y378-L447 WeakPolarHBondContact OH-CD1 3.44Å; Y378-L447 WeakPolarHBondContact OH-CD2 3.13Å; Y378-L447 VanDerWaalsContact OH-CG 3.25Å; Y378-L447 WeakPolarHBondContact OH-CG 3.46Å; R386-L447 HydrophobicContact CG-CB 4.35Å; R386-L447 HydrophobicContact CG-CD1 4.1Å; R386-L447 PolarHBondContact NE-O 3.41Å; R386-L447 PolarHBondContact NH2-O 3.49Å; H443-L447 WeakPolarHBondContact O-CB 3.16Å; H443-L447 PolarHBondContact O-N 2.98Å
448	S	95.9	Very high	97.8	Very high	9 Å²	9	28.8 Å²	28.8	6%	0.063	17%	0.166	C	C	.	.	H	α-helix	trans	-92.8	-19.7	177.1	63.5	0	0	0	0	114.2	P256 L444 S445 H446 N450	P256-S448 VanDerWaalsContact CD-O 3.29Å; P256-S448 WeakPolarHBondContact CD-O 3.43Å; L444-S448 WeakPolarHBondContact O-CB 3.47Å; L444-S448 PolarHBondContact O-N 3.05Å; L444-S448 PolarHBondContact O-OG 2.82Å; S445-S448 PolarHBondContact O-OG 3.41Å; H446-S448 PolarHBondContact O-N 3.43Å; S448-N450 PolarHBondContact O-N 2.87Å; S448-N450 WeakPolarHBondContact OG-CB 3.46Å; S448-N450 PolarHBondContact OG-N 2.62Å
449	G	94.2	Very high	97.8	Very high	59 Å²	59	30.9 Å²	30.9	61%	0.608	18%	0.177	S	C	*	.	S	Bend	trans	66.1	7.1	-164.6	0	0	0	0	0	114.1	S445	S445-G449 WeakPolarHBondContact O-CA 3.34Å; S445-G449 PolarHBondContact O-N 3.25Å
450	N	95.2	Very high	97.8	Very high	54 Å²	54	31.2 Å²	31.2	29%	0.289	18%	0.179	S	C	.	.			trans	-102.2	111.3	-178.7	-173.4	-9.2	0	0	0	110.1	S445 S448 I452 F453	S445-N450 WeakPolarHBondContact CA-O 3.32Å; S448-N450 PolarHBondContact O-N 2.87Å; S448-N450 WeakPolarHBondContact OG-CB 3.46Å; S448-N450 PolarHBondContact OG-N 2.62Å; N450-I452 HydrophobicContact CB-CG2 4.47Å; N450-I452 VanDerWaalsContact CG-CG2 3.5Å; N450-I452 PolarHBondContact O-N 2.74Å; N450-I452 VanDerWaalsContact O-N 3.09Å; N450-I452 WeakPolarHBondContact OD1-CB 3.49Å; N450-I452 VanDerWaalsContact OD1-CG2 3.27Å; N450-I452 WeakPolarHBondContact OD1-CG2 3.27Å; N450-I452 PolarHBondContact OD1-N 3.4Å; N450-F453 HydrophobicContact CB-CE2 4.32Å
451	P	96.8	Very high	97.8	Very high	73 Å²	73	31.7 Å²	31.7	47%	0.474	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.3	-174.3	29.5	-36.8	0	0	0	114	F453 A454 E455	P451-F453 PolarHBondContact O-N 3.27Å; P451-F453 VanDerWaalsContact O-N 3.14Å; P451-A454 PolarHBondContact O-N 3.27Å; P451-E455 WeakPolarHBondContact O-CG 3.15Å; P451-E455 PolarHBondContact O-N 3.31Å
452	I	98.1	Very high	97.7	Very high	15 Å²	15	34.6 Å²	34.6	8%	0.077	20%	0.198	C	C	.	.	H	α-helix	trans	-55.4	-35.6	-172.7	-167.6	166.4	0	0	0	113.9	D248 L397 N450 E455 K456	D248-I452 HydrophobicContact CB-CD1 4.38Å; D248-I452 WeakPolarHBondContact OD1-CD1 3.44Å; L397-I452 HydrophobicContact CD1-CD1 3.96Å; L397-I452 HydrophobicContact CD1-CG1 4.49Å; L397-I452 HydrophobicContact CD1-CG2 4.11Å; L397-I452 HydrophobicContact CD2-CD1 4.39Å; L397-I452 HydrophobicContact CD2-CG1 4.18Å; L397-I452 HydrophobicContact CD2-CG2 4.27Å; N450-I452 HydrophobicContact CB-CG2 4.47Å; N450-I452 VanDerWaalsContact CG-CG2 3.5Å; N450-I452 PolarHBondContact O-N 2.74Å; N450-I452 VanDerWaalsContact O-N 3.09Å; N450-I452 WeakPolarHBondContact OD1-CB 3.49Å; N450-I452 VanDerWaalsContact OD1-CG2 3.27Å; N450-I452 WeakPolarHBondContact OD1-CG2 3.27Å; N450-I452 PolarHBondContact OD1-N 3.4Å; I452-E455 PolarHBondContact O-N 3.45Å; I452-K456 HydrophobicContact CG1-CD 4.43Å; I452-K456 VanDerWaalsContact O-CG 3.31Å; I452-K456 WeakPolarHBondContact O-CG 3.49Å; I452-K456 PolarHBondContact O-N 3.35Å
453	F	98.6	Very high	97.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-69.4	-46.8	-178.5	-49.2	-76.3	0	0	0	110.5	G393 V394 L397 F441 L444 S445 N450 P451 E455 K456 V457	G393-F453 VanDerWaalsContact C-CE1 3.48Å; V394-F453 HydrophobicContact CG2-CE1 4.4Å; V394-F453 HydrophobicContact CG2-CZ 3.87Å; L397-F453 HydrophobicContact CD1-CE1 4Å; L397-F453 HydrophobicContact CD2-CD1 3.68Å; L397-F453 HydrophobicContact CD2-CE1 3.83Å; L397-F453 HydrophobicContact CG-CD1 4.27Å; L397-F453 HydrophobicContact CG-CE1 3.9Å; F441-F453 HydrophobicContact CB-CB 3.96Å; F441-F453 HydrophobicContact CD1-CB 3.66Å; F441-F453 HydrophobicContact CD1-CD1 4.2Å; F441-F453 HydrophobicContact CD1-CG 4.44Å; F441-F453 WeakPolarHBondContact CD1-O 3.3Å; F441-F453 HydrophobicContact CE1-CB 4.46Å; F441-F453 HydrophobicContact CE1-CD1 4.19Å; F441-F453 HydrophobicContact CG-CB 4.09Å; F441-F453 WeakPolarHBondContact O-CB 3.46Å; L444-F453 HydrophobicContact CB-CB 4.14Å; L444-F453 HydrophobicContact CB-CD1 4.4Å; L444-F453 HydrophobicContact CB-CD2 3.79Å; L444-F453 HydrophobicContact CB-CE2 4.28Å; L444-F453 HydrophobicContact CB-CG 3.86Å; L444-F453 HydrophobicContact CD1-CD1 4.15Å; L444-F453 HydrophobicContact CD1-CG 4.38Å; S445-F453 WeakPolarHBondContact OG-CB 3.45Å; N450-F453 HydrophobicContact CB-CE2 4.32Å; P451-F453 PolarHBondContact O-N 3.27Å; P451-F453 VanDerWaalsContact O-N 3.14Å; F453-E455 PolarHBondContact O-N 2.87Å; F453-K456 PolarHBondContact O-N 2.84Å; F453-V457 PolarHBondContact O-N 3.36Å
454	A	98.5	Very high	97.7	Very high	19 Å²	19	33.1 Å²	33.1	16%	0.157	19%	0.192	C	C	.	.	H	α-helix	trans	-60	-43.1	171.8	0	0	0	0	0	111.7	M442 S445 P451 K456 V457 M458	M442-A454 HydrophobicContact SD-CB 3.51Å; M442-A454 VanDerWaalsContact SD-CB 3.51Å; S445-A454 VanDerWaalsContact OG-CB 3.29Å; S445-A454 WeakPolarHBondContact OG-CB 3.25Å; S445-A454 PolarHBondContact OG-N 3.47Å; P451-A454 PolarHBondContact O-N 3.27Å; A454-K456 VanDerWaalsContact C-N 3.29Å; A454-K456 PolarHBondContact O-N 2.95Å; A454-V457 PolarHBondContact O-N 3.26Å; A454-M458 VanDerWaalsContact O-CB 3.29Å; A454-M458 WeakPolarHBondContact O-CB 3.25Å; A454-M458 VanDerWaalsContact O-CG 3.24Å; A454-M458 WeakPolarHBondContact O-CG 3.33Å; A454-M458 PolarHBondContact O-N 2.89Å
455	E	98.6	Very high	97.7	Very high	94 Å²	94	36.1 Å²	36.1	44%	0.439	21%	0.208	S	C	.	.	H	α-helix	trans	-55.5	-42.2	174.5	-73.7	179.7	-167	0	0	111.8	R247 P451 I452 F453 N459	R247-E455 IonicContact NH2-OE2 3.26Å; P451-E455 WeakPolarHBondContact O-CG 3.15Å; P451-E455 PolarHBondContact O-N 3.31Å; I452-E455 PolarHBondContact O-N 3.45Å; F453-E455 PolarHBondContact O-N 2.87Å; E455-N459 WeakPolarHBondContact O-CB 3.28Å; E455-N459 PolarHBondContact O-N 3.03Å; E455-N459 VanDerWaalsContact O-N 3.08Å
456	K	98.8	Very high	97.7	Very high	38 Å²	38	42.9 Å²	42.9	17%	0.165	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-48.6	177.9	-60.6	-37	-173.1	-171.5	0	112.1	D248 L397 F400 I452 F453 A454 N459 I460	D248-K456 IonicContact OD1-NZ 2.71Å; D248-K456 IonicContact OD2-NZ 3.76Å; D248-K456 PolarHBondContact OD2-NZ 3.15Å; L397-K456 HydrophobicContact CD2-CG 4Å; F400-K456 HydrophobicContact CB-CD 4.11Å; F400-K456 HydrophobicContact CB-CG 4.25Å; F400-K456 HydrophobicContact CD1-CB 3.64Å; F400-K456 HydrophobicContact CD1-CG 4.14Å; F400-K456 HydrophobicContact CD2-CB 4.27Å; F400-K456 HydrophobicContact CD2-CG 4.03Å; F400-K456 HydrophobicContact CE1-CB 3.66Å; F400-K456 HydrophobicContact CE1-CG 4.45Å; F400-K456 HydrophobicContact CE2-CB 4.34Å; F400-K456 HydrophobicContact CE2-CG 4.4Å; F400-K456 HydrophobicContact CG-CB 3.94Å; F400-K456 HydrophobicContact CG-CD 4.3Å; F400-K456 HydrophobicContact CG-CG 3.89Å; F400-K456 HydrophobicContact CZ-CB 4.02Å; I452-K456 HydrophobicContact CG1-CD 4.43Å; I452-K456 VanDerWaalsContact O-CG 3.31Å; I452-K456 WeakPolarHBondContact O-CG 3.49Å; I452-K456 PolarHBondContact O-N 3.35Å; F453-K456 PolarHBondContact O-N 2.84Å; A454-K456 VanDerWaalsContact C-N 3.29Å; A454-K456 PolarHBondContact O-N 2.95Å; K456-N459 WeakPolarHBondContact O-CB 3.29Å; K456-N459 PolarHBondContact O-N 3.32Å; K456-I460 PolarHBondContact O-N 2.99Å
457	V	98.8	Very high	97.8	Very high	3 Å²	3	39 Å²	39	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-77.4	-25.6	-176.6	-63.1	0	0	0	0	113.9	L437 F441 F453 A454 I460 R461	L437-V457 HydrophobicContact CB-CG1 4Å; F441-V457 HydrophobicContact CB-CB 4.47Å; F441-V457 HydrophobicContact CB-CG1 3.63Å; F441-V457 HydrophobicContact CB-CG2 3.98Å; F441-V457 HydrophobicContact CD1-CG1 3.98Å; F441-V457 HydrophobicContact CG-CG1 3.81Å; F453-V457 PolarHBondContact O-N 3.36Å; A454-V457 PolarHBondContact O-N 3.26Å; V457-I460 WeakPolarHBondContact O-CB 3.19Å; V457-I460 PolarHBondContact O-N 3.19Å; V457-R461 PolarHBondContact O-N 3.03Å
458	M	98.6	Very high	97.9	Very high	66 Å²	66	46.5 Å²	46.5	33%	0.325	25%	0.253	S	S	.	.	H	α-helix	trans	-73.5	-27	169.5	-67.8	-65.4	177.1	0	0	112.2	M442 A454 R461 T462	M442-M458 HydrophobicContact CE-CE 4.08Å; M442-M458 HydrophobicContact SD-CE 3.93Å; A454-M458 VanDerWaalsContact O-CB 3.29Å; A454-M458 WeakPolarHBondContact O-CB 3.25Å; A454-M458 VanDerWaalsContact O-CG 3.24Å; A454-M458 WeakPolarHBondContact O-CG 3.33Å; A454-M458 PolarHBondContact O-N 2.89Å; M458-R461 PolarHBondContact O-N 2.98Å; M458-T462 WeakPolarHBondContact O-CB 3.34Å; M458-T462 PolarHBondContact O-N 3.23Å; M458-T462 PolarHBondContact O-OG1 2.82Å
459	N	98.8	Very high	98	Very high	55 Å²	55	48.1 Å²	48.1	29%	0.294	26%	0.259	S	S	.	.	H	α-helix	trans	-65.5	-37.6	169	-178.8	76.2	0	0	0	112	S404 G405 E455 K456 R461 T462 V463	S404-N459 PolarHBondContact O-ND2 3.37Å; G405-N459 WeakPolarHBondContact CA-ND2 3.26Å; E455-N459 WeakPolarHBondContact O-CB 3.28Å; E455-N459 PolarHBondContact O-N 3.03Å; E455-N459 VanDerWaalsContact O-N 3.08Å; K456-N459 WeakPolarHBondContact O-CB 3.29Å; K456-N459 PolarHBondContact O-N 3.32Å; N459-R461 PolarHBondContact O-N 3.27Å; N459-T462 CarbonylContact O-C 3.6Å; N459-T462 WeakPolarHBondContact O-CA 3.39Å; N459-T462 WeakPolarHBondContact O-CB 3.1Å; N459-T462 PolarHBondContact O-N 2.88Å; N459-T462 VanDerWaalsContact O-N 3.08Å; N459-V463 WeakPolarHBondContact O-CG2 3.4Å; N459-V463 PolarHBondContact O-N 3.04Å
460	I	98.8	Very high	98.1	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-57.8	-48.4	175.3	-66.3	174	0	0	0	110.8	F400 I406 P407 F434 K456 V457 T462 V463 L464	F400-I460 HydrophobicContact CE1-CD1 3.94Å; I406-I460 HydrophobicContact CD1-CB 4.24Å; I406-I460 HydrophobicContact CD1-CG1 4.06Å; I406-I460 HydrophobicContact CD1-CG2 4.02Å; P407-I460 HydrophobicContact CG-CD1 4.14Å; F434-I460 HydrophobicContact CB-CD1 4.26Å; F434-I460 HydrophobicContact CD2-CG2 3.71Å; F434-I460 HydrophobicContact CE2-CG2 4.18Å; F434-I460 VanDerWaalsContact O-CD1 3.32Å; F434-I460 WeakPolarHBondContact O-CD1 3.42Å; K456-I460 PolarHBondContact O-N 2.99Å; V457-I460 WeakPolarHBondContact O-CB 3.19Å; V457-I460 PolarHBondContact O-N 3.19Å; I460-T462 VanDerWaalsContact C-N 3.3Å; I460-T462 PolarHBondContact O-N 2.94Å; I460-V463 PolarHBondContact O-N 3.45Å; I460-V463 VanDerWaalsContact O-N 3.16Å; I460-L464 HydrophobicContact CG2-CD1 3.92Å; I460-L464 HydrophobicContact CG2-CG 4.45Å; I460-L464 WeakPolarHBondContact O-CG 3.24Å; I460-L464 PolarHBondContact O-N 3.06Å
461	R	98.4	Very high	98.1	Very high	10 Å²	10	50.1 Å²	50.1	4%	0.038	25%	0.253	C	S	.	.	H	α-helix	trans	-55.5	-45.2	172.6	-64.6	-76.2	-163.6	72	9.9	111.8	H438 V457 M458 N459 V463 L464 N465 D514 E516	H438-R461 PolarHBondContact CE1-NH2 2.83Å; H438-R461 PolarHBondContact NE2-NH2 3.11Å; V457-R461 PolarHBondContact O-N 3.03Å; M458-R461 PolarHBondContact O-N 2.98Å; N459-R461 PolarHBondContact O-N 3.27Å; R461-V463 VanDerWaalsContact C-N 3.28Å; R461-V463 PolarHBondContact O-N 3.22Å; R461-L464 PolarHBondContact O-N 2.65Å; R461-N465 WeakPolarHBondContact O-CB 3.36Å; R461-N465 PolarHBondContact O-N 3.32Å; R461-D514 IonicContact CZ-OD2 2.83Å; R461-D514 IonicContact NH1-OD1 3.4Å; R461-D514 IonicContact NH1-OD2 3.83Å; R461-D514 PolarHBondContact NH1-OD2 3.21Å; R461-D514 IonicContact NH2-OD2 2.72Å; R461-D514 PolarHBondContact NH2-OD2 2.93Å; R461-E516 VanDerWaalsContact CB-OE1 3.29Å; R461-E516 WeakPolarHBondContact CB-OE1 3.46Å; R461-E516 WeakPolarHBondContact CD-OE1 3.48Å; R461-E516 WeakPolarHBondContact CG-OE1 3.44Å; R461-E516 IonicContact CZ-OE1 2.68Å; R461-E516 IonicContact NE-OE1 3.67Å; R461-E516 IonicContact NH1-OE1 2.69Å; R461-E516 PolarHBondContact NH1-OE1 2.63Å
462	T	98.6	Very high	98.1	Very high	62 Å²	62	48.2 Å²	48.2	38%	0.38	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-28.4	178.8	-60.5	0	0	0	0	113.4	M458 N459 I460 K466	M458-T462 WeakPolarHBondContact O-CB 3.34Å; M458-T462 PolarHBondContact O-N 3.23Å; M458-T462 PolarHBondContact O-OG1 2.82Å; N459-T462 CarbonylContact O-C 3.6Å; N459-T462 WeakPolarHBondContact O-CA 3.39Å; N459-T462 WeakPolarHBondContact O-CB 3.1Å; N459-T462 PolarHBondContact O-N 2.88Å; N459-T462 VanDerWaalsContact O-N 3.08Å; I460-T462 VanDerWaalsContact C-N 3.3Å; I460-T462 PolarHBondContact O-N 2.94Å; T462-K466 WeakPolarHBondContact O-CD 3.46Å; T462-K466 WeakPolarHBondContact O-CE 3.44Å; T462-K466 VanDerWaalsContact O-CG 3.28Å; T462-K466 WeakPolarHBondContact O-CG 3.2Å
463	V	98.7	Very high	98.2	Very high	14 Å²	14	47.5 Å²	47.5	9%	0.085	24%	0.243	C	C	.	.	H	α-helix	trans	-77.2	-52.1	170.5	176.9	0	0	0	0	110	S404 I406 N459 I460 R461 N465 K466 L478	S404-V463 WeakPolarHBondContact O-CG2 3.31Å; I406-V463 HydrophobicContact CD1-CB 3.96Å; I406-V463 HydrophobicContact CD1-CG1 4.04Å; I406-V463 HydrophobicContact CD1-CG2 4.22Å; I406-V463 HydrophobicContact CG1-CB 4.33Å; I406-V463 HydrophobicContact CG1-CG1 4.02Å; I406-V463 HydrophobicContact CG1-CG2 4.32Å; N459-V463 WeakPolarHBondContact O-CG2 3.4Å; N459-V463 PolarHBondContact O-N 3.04Å; I460-V463 PolarHBondContact O-N 3.45Å; I460-V463 VanDerWaalsContact O-N 3.16Å; R461-V463 VanDerWaalsContact C-N 3.28Å; R461-V463 PolarHBondContact O-N 3.22Å; V463-N465 VanDerWaalsContact C-N 3.28Å; V463-N465 PolarHBondContact O-N 3.41Å; V463-K466 PolarHBondContact O-N 2.91Å; V463-L478 HydrophobicContact CG1-CD1 4.32Å
464	L	98.7	Very high	98.2	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-57	-38.4	-177.6	-71.9	171.2	0	0	0	113.1	L431 F434 I460 R461 K466 L467 K469 Y474 L478 W485 F499 M520	L431-L464 HydrophobicContact CD1-CD2 4.37Å; F434-L464 HydrophobicContact CE2-CD1 4.32Å; F434-L464 HydrophobicContact CE2-CD2 4.14Å; F434-L464 HydrophobicContact CE2-CG 4.5Å; I460-L464 HydrophobicContact CG2-CD1 3.92Å; I460-L464 HydrophobicContact CG2-CG 4.45Å; I460-L464 WeakPolarHBondContact O-CG 3.24Å; I460-L464 PolarHBondContact O-N 3.06Å; R461-L464 PolarHBondContact O-N 2.65Å; L464-K466 VanDerWaalsContact C-N 3.31Å; L464-K466 PolarHBondContact O-N 3Å; L464-L467 PolarHBondContact O-N 3.09Å; L464-K469 WeakPolarHBondContact O-CE 3.21Å; L464-Y474 HydrophobicContact CD2-CD1 4.47Å; L464-L478 HydrophobicContact CD2-CD1 3.82Å; L464-W485 HydrophobicContact CD2-CH2 3.6Å; L464-W485 HydrophobicContact CD2-CZ2 4.49Å; L464-W485 HydrophobicContact CD2-CZ3 4.17Å; L464-F499 HydrophobicContact CD1-CE2 3.62Å; L464-F499 HydrophobicContact CD1-CZ 4.11Å; L464-M520 HydrophobicContact CB-CE 4.3Å; L464-M520 HydrophobicContact CD1-CE 4.42Å
465	N	98.2	Very high	98.2	Very high	62 Å²	62	46.8 Å²	46.8	33%	0.332	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-3.7	-179.6	-73.3	-25.9	0	0	0	114.7	R461 V463 K469 E516 M520	R461-N465 WeakPolarHBondContact O-CB 3.36Å; R461-N465 PolarHBondContact O-N 3.32Å; V463-N465 VanDerWaalsContact C-N 3.28Å; V463-N465 PolarHBondContact O-N 3.41Å; N465-K469 PolarHBondContact OD1-NZ 3Å; N465-E516 PolarHBondContact ND2-OE2 2.89Å; N465-M520 PolarHBondContact ND2-SD 3.48Å
466	K	98.1	Very high	98.2	Very high	157 Å²	157	42.5 Å²	42.5	68%	0.683	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-17.7	167.4	-69.3	167.7	-171	167.4	0	113.1	T462 V463 L464	T462-K466 WeakPolarHBondContact O-CD 3.46Å; T462-K466 WeakPolarHBondContact O-CE 3.44Å; T462-K466 VanDerWaalsContact O-CG 3.28Å; T462-K466 WeakPolarHBondContact O-CG 3.2Å; V463-K466 PolarHBondContact O-N 2.91Å; L464-K466 VanDerWaalsContact C-N 3.31Å; L464-K466 PolarHBondContact O-N 3Å
467	L	97.8	Very high	98.2	Very high	20 Å²	20	41.6 Å²	41.6	11%	0.105	21%	0.212	C	C	.	.	S	Bend	trans	-83.9	144.5	-178	-68.2	172.7	0	0	0	111.5	L464 K469 L478 G483 W485	L464-L467 PolarHBondContact O-N 3.09Å; L467-K469 WeakPolarHBondContact O-CD 3.37Å; L467-K469 WeakPolarHBondContact O-CE 3.16Å; L467-L478 HydrophobicContact CD1-CD1 3.88Å; L467-L478 HydrophobicContact CD1-CG 4.24Å; L467-G483 WeakPolarHBondContact CD2-O 3.45Å; L467-W485 HydrophobicContact CB-CZ2 4Å; L467-W485 HydrophobicContact CD1-CD2 3.97Å; L467-W485 HydrophobicContact CD1-CE3 4.35Å; L467-W485 HydrophobicContact CD1-CH2 4.15Å; L467-W485 HydrophobicContact CD1-CZ2 3.74Å; L467-W485 HydrophobicContact CD1-CZ3 4.44Å
468	E	97.1	Very high	98.2	Very high	159 Å²	159	41.4 Å²	41.4	74%	0.743	21%	0.211	S	C	*	.			trans	-71.2	130.2	163.8	-170.9	171	171.6	0	0	108.9	P470 W485	E468-P470 WeakPolarHBondContact O-CD 3.43Å; E468-W485 PolarHBondContact O-NE1 2.97Å
469	K	98	Very high	98.1	Very high	44 Å²	44	40 Å²	40	19%	0.191	21%	0.205	C	C	.	.			trans	-94.5	108.5	179.4	-75.6	61.6	170.6	-72.2	0	107	L464 N465 L467 Q471 G472 L473 Y474	L464-K469 WeakPolarHBondContact O-CE 3.21Å; N465-K469 PolarHBondContact OD1-NZ 3Å; L467-K469 WeakPolarHBondContact O-CD 3.37Å; L467-K469 WeakPolarHBondContact O-CE 3.16Å; K469-Q471 PolarHBondContact O-N 3.37Å; K469-Q471 VanDerWaalsContact O-N 3.1Å; K469-G472 PolarHBondContact O-N 3.24Å; K469-L473 CarbonylContact C-O 3.56Å; K469-L473 WeakPolarHBondContact CB-O 3.36Å; K469-Y474 HydrophobicContact CD-CE1 4.37Å; K469-Y474 HydrophobicContact CG-CD1 4.23Å; K469-Y474 HydrophobicContact CG-CD2 4.27Å; K469-Y474 HydrophobicContact CG-CE1 3.94Å; K469-Y474 HydrophobicContact CG-CE2 3.99Å; K469-Y474 HydrophobicContact CG-CG 4.38Å; K469-Y474 PolarHBondContact NZ-OH 3.48Å
470	P	96.3	Very high	98.1	Very high	26 Å²	26	37.4 Å²	37.4	17%	0.169	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-59.8	116.9	-176.8	23	-33.7	0	0	0	110.8	E468 G472 L473 P475	E468-P470 WeakPolarHBondContact O-CD 3.43Å; P470-G472 PolarHBondContact O-N 2.91Å; P470-L473 WeakPolarHBondContact CD-O 3.28Å; P470-L473 WeakPolarHBondContact O-CB 3.49Å; P470-L473 PolarHBondContact O-N 3.12Å; P470-P475 HydrophobicContact CG-CG 3.78Å
471	Q	96.1	Very high	97.9	Very high	129 Å²	129	40.3 Å²	40.3	60%	0.603	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	55.6	31	-172	-50.9	-60.9	-21.6	0	0	113.7	K469 L473 H531	K469-Q471 PolarHBondContact O-N 3.37Å; K469-Q471 VanDerWaalsContact O-N 3.1Å; Q471-L473 PolarHBondContact O-N 2.8Å; Q471-L473 VanDerWaalsContact O-N 3.16Å; Q471-H531 PolarHBondContact O-CD2 2.9Å; Q471-H531 VanDerWaalsContact O-CD2 3.29Å; Q471-H531 PolarHBondContact O-NE2 2.83Å
472	G	97.5	Very high	97.9	Very high	32 Å²	32	43.1 Å²	43.1	33%	0.33	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	73.8	-5.7	-174.7	0	0	0	0	0	114.8	K469 P470	K469-G472 PolarHBondContact O-N 3.24Å; P470-G472 PolarHBondContact O-N 2.91Å
473	L	98.4	Very high	97.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.217	C	C	.	.			trans	-83.5	155.8	-179.1	-56.7	174.1	0	0	0	112.2	K469 P470 Q471 V490 A527 H531 L532 W546	K469-L473 CarbonylContact C-O 3.56Å; K469-L473 WeakPolarHBondContact CB-O 3.36Å; P470-L473 WeakPolarHBondContact CD-O 3.28Å; P470-L473 WeakPolarHBondContact O-CB 3.49Å; P470-L473 PolarHBondContact O-N 3.12Å; Q471-L473 PolarHBondContact O-N 2.8Å; Q471-L473 VanDerWaalsContact O-N 3.16Å; L473-V490 HydrophobicContact CB-CG1 4.04Å; L473-V490 HydrophobicContact CB-CG2 3.86Å; L473-V490 HydrophobicContact CD1-CG1 4.39Å; L473-V490 HydrophobicContact CD1-CG2 4.3Å; L473-V490 HydrophobicContact CD2-CG1 4.4Å; L473-A527 HydrophobicContact CD2-CB 3.89Å; L473-H531 HydrophobicContact CD1-CB 4.02Å; L473-H531 HydrophobicContact CD2-CB 4.31Å; L473-L532 HydrophobicContact CD1-CD1 3.64Å; L473-L532 HydrophobicContact CD2-CD1 3.73Å; L473-L532 HydrophobicContact CG-CD1 4.35Å; L473-W546 HydrophobicContact CD1-CD2 3.96Å; L473-W546 HydrophobicContact CD1-CE3 4.19Å; L473-W546 HydrophobicContact CD1-CG 4.2Å
474	Y	98.7	Very high	97.8	Very high	3 Å²	3	44.9 Å²	44.9	1%	0.012	24%	0.237	C	C	.	.			trans	-107.2	112.2	178.7	-67.5	-107.6	0	0	0	109.6	L464 K469 W485 F499 Y500 M520 A524	L464-Y474 HydrophobicContact CD2-CD1 4.47Å; K469-Y474 HydrophobicContact CD-CE1 4.37Å; K469-Y474 HydrophobicContact CG-CD1 4.23Å; K469-Y474 HydrophobicContact CG-CD2 4.27Å; K469-Y474 HydrophobicContact CG-CE1 3.94Å; K469-Y474 HydrophobicContact CG-CE2 3.99Å; K469-Y474 HydrophobicContact CG-CG 4.38Å; K469-Y474 PolarHBondContact NZ-OH 3.48Å; Y474-W485 HydrophobicContact CD1-CH2 4.04Å; Y474-W485 HydrophobicContact CD1-CZ2 4.44Å; Y474-F499 AromaticContact CD1-CE1 3.61Å; Y474-F499 HydrophobicContact CD1-CE1 3.61Å; Y474-F499 AromaticContact CD1-CZ 3.63Å; Y474-F499 HydrophobicContact CD1-CZ 3.63Å; Y474-F499 HydrophobicContact CD2-CE1 4.13Å; Y474-F499 AromaticContact CE1-CE1 3.99Å; Y474-F499 HydrophobicContact CE1-CE1 3.99Å; Y474-F499 AromaticContact CE1-CZ 3.66Å; Y474-F499 HydrophobicContact CE1-CZ 3.66Å; Y474-F499 HydrophobicContact CE2-CE1 4.47Å; Y474-F499 AromaticContact CG-CE1 3.69Å; Y474-F499 HydrophobicContact CG-CE1 3.69Å; Y474-F499 HydrophobicContact CG-CZ 4.2Å; Y474-Y500 HydrophobicContact CD2-CE1 4.11Å; Y474-M520 HydrophobicContact CE1-CE 4.35Å; Y474-A524 HydrophobicContact CD2-CB 4.27Å; Y474-A524 HydrophobicContact CE2-CB 3.78Å
475	P	98.6	Very high	97.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.			trans	-59.6	136.6	172.9	-26.7	36	0	0	0	112.5	P470 Y477 W485 H489	P470-P475 HydrophobicContact CG-CG 3.78Å; P475-Y477 PolarHBondContact O-N 3.09Å; P475-W485 HydrophobicContact CB-CB 4.41Å; P475-W485 HydrophobicContact CB-CD2 4.07Å; P475-W485 HydrophobicContact CB-CE3 3.84Å; P475-W485 HydrophobicContact CB-CG 4.33Å; P475-W485 HydrophobicContact CB-CZ3 4.43Å; P475-W485 HydrophobicContact CG-CB 4.24Å; P475-W485 HydrophobicContact CG-CD2 3.73Å; P475-W485 HydrophobicContact CG-CE3 3.99Å; P475-W485 HydrophobicContact CG-CG 3.84Å; P475-W485 WeakPolarHBondContact O-CZ3 2.99Å; P475-H489 CarbonylContact C-O 3.6Å; P475-H489 WeakPolarHBondContact CA-O 3.27Å
476	N	98.6	Very high	97.6	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.027	24%	0.239	C	C	.	.	S	Bend	trans	-68.6	3.9	-176.8	-68	21.6	0	0	0	114.1	I430 L431 H489 V490 S491 G494 L495	I430-N476 WeakPolarHBondContact CA-O 3.45Å; L431-N476 PolarHBondContact N-O 3.47Å; N476-H489 PolarHBondContact N-O 3.36Å; N476-H489 PolarHBondContact OD1-O 3.06Å; N476-V490 WeakPolarHBondContact OD1-CA 3.2Å; N476-S491 PolarHBondContact ND2-N 3.44Å; N476-S491 PolarHBondContact OD1-N 3.12Å; N476-G494 PolarHBondContact ND2-O 3.09Å; N476-L495 HydrophobicContact CB-CB 4.01Å; N476-L495 WeakPolarHBondContact CB-O 3.44Å; N476-L495 PolarHBondContact ND2-O 3.39Å
477	Y	98.7	Very high	97.5	Very high	18 Å²	18	40.3 Å²	40.3	7%	0.071	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	122	-173.6	-63.1	-91.3	0	0	0	110.6	W423 A424 S429 I430 P475 G486 Q487 H489 L495	W423-Y477 HydrophobicContact CZ3-CE1 4.26Å; A424-Y477 HydrophobicContact CB-CE1 4.39Å; S429-Y477 WeakPolarHBondContact O-CA 3.45Å; I430-Y477 HydrophobicContact CD1-CD1 3.74Å; I430-Y477 HydrophobicContact CD1-CE1 3.5Å; P475-Y477 PolarHBondContact O-N 3.09Å; Y477-G486 PolarHBondContact O-N 2.54Å; Y477-Q487 HydrophobicContact CD2-CG 3.62Å; Y477-Q487 HydrophobicContact CE2-CG 3.94Å; Y477-Q487 HydrophobicContact CG-CG 4.13Å; Y477-Q487 PolarHBondContact OH-NE2 2.81Å; Y477-H489 HydrophobicContact CE2-CB 4.31Å; Y477-L495 HydrophobicContact CE2-CD1 4.44Å; Y477-L495 VanDerWaalsContact OH-CD1 3.28Å; Y477-L495 WeakPolarHBondContact OH-CD1 3.45Å
478	L	98.6	Very high	97.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.9	175.4	-162.2	174.3	0	0	0	109.6	I406 S428 S429 F434 V463 L464 L467 P480 Q484 W485	I406-L478 HydrophobicContact CD1-CD1 4.25Å; I406-L478 HydrophobicContact CG1-CD1 4.33Å; I406-L478 HydrophobicContact CG1-CD2 3.97Å; S428-L478 WeakPolarHBondContact CB-O 3.49Å; S429-L478 PolarHBondContact N-O 2.66Å; S429-L478 PolarHBondContact O-N 2.76Å; F434-L478 HydrophobicContact CE1-CB 3.77Å; F434-L478 HydrophobicContact CE2-CD1 4.33Å; F434-L478 HydrophobicContact CZ-CB 3.69Å; F434-L478 HydrophobicContact CZ-CD1 3.77Å; F434-L478 HydrophobicContact CZ-CG 4.39Å; V463-L478 HydrophobicContact CG1-CD1 4.32Å; L464-L478 HydrophobicContact CD2-CD1 3.82Å; L467-L478 HydrophobicContact CD1-CD1 3.88Å; L467-L478 HydrophobicContact CD1-CG 4.24Å; L478-P480 WeakPolarHBondContact O-CD 3.35Å; L478-Q484 CarbonylContact C-O 3.56Å; L478-W485 HydrophobicContact CB-CE3 4.07Å; L478-W485 HydrophobicContact CB-CZ3 4.15Å; L478-W485 HydrophobicContact CD1-CE3 4.32Å; L478-W485 HydrophobicContact CD1-CH2 4.46Å; L478-W485 HydrophobicContact CD1-CZ3 3.94Å; L478-W485 HydrophobicContact CG-CE3 4.08Å; L478-W485 HydrophobicContact CG-CZ3 4.18Å
479	N	98.4	Very high	97.5	Very high	36 Å²	36	38.9 Å²	38.9	19%	0.193	21%	0.213	C	C	.	.			trans	-76.9	119.8	-178.2	-177.3	-76.6	0	0	0	111.4	G426 S481 S482 G483 Q484	G426-N479 PolarHBondContact O-ND2 3.2Å; N479-S481 PolarHBondContact O-N 2.92Å; N479-S481 WeakPolarHBondContact OD1-CA 3.42Å; N479-S481 WeakPolarHBondContact OD1-CB 3.36Å; N479-S481 PolarHBondContact OD1-N 3.47Å; N479-S482 PolarHBondContact OD1-N 2.84Å; N479-S482 PolarHBondContact OD1-OG 3.23Å; N479-G483 VanDerWaalsContact O-CA 3.32Å; N479-G483 WeakPolarHBondContact O-CA 3.16Å; N479-G483 PolarHBondContact O-N 2.85Å; N479-Q484 PolarHBondContact N-O 3.18Å
480	P	97.7	Very high	97.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-11.1	-173.2	31.3	-38	0	0	0	114.4	T402 S404 I406 W408 N420 L478	T402-P480 HydrophobicContact CG2-CB 4.06Å; S404-P480 WeakPolarHBondContact CB-O 3.43Å; S404-P480 PolarHBondContact N-O 2.96Å; S404-P480 WeakPolarHBondContact OG-CA 3.37Å; S404-P480 PolarHBondContact OG-O 2.76Å; I406-P480 HydrophobicContact CB-CB 4.11Å; I406-P480 HydrophobicContact CG2-CB 4.25Å; I406-P480 WeakPolarHBondContact O-CB 3.46Å; W408-P480 HydrophobicContact CE3-CG 3.94Å; W408-P480 HydrophobicContact CH2-CG 4.01Å; W408-P480 HydrophobicContact CZ3-CG 3.51Å; N420-P480 WeakPolarHBondContact ND2-CG 3.35Å; L478-P480 WeakPolarHBondContact O-CD 3.35Å
481	S	95.8	Very high	97.6	Very high	68 Å²	68	36.2 Å²	36.2	48%	0.476	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-41.2	176.6	-57.3	0	0	0	0	112.6	N479	N479-S481 PolarHBondContact O-N 2.92Å; N479-S481 WeakPolarHBondContact OD1-CA 3.42Å; N479-S481 WeakPolarHBondContact OD1-CB 3.36Å; N479-S481 PolarHBondContact OD1-N 3.47Å
482	S	96.9	Very high	97.7	Very high	68 Å²	68	30.1 Å²	30.1	48%	0.476	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-16.7	177.7	65.6	0	0	0	0	113.9	N479 Q484	N479-S482 PolarHBondContact OD1-N 2.84Å; N479-S482 PolarHBondContact OD1-OG 3.23Å; S482-Q484 PolarHBondContact O-N 3.14Å; S482-Q484 PolarHBondContact O-NE2 2.61Å; S482-Q484 PolarHBondContact OG-N 2.81Å
483	G	97.1	Very high	97.7	Very high	6 Å²	6	28.7 Å²	28.7	6%	0.062	16%	0.157	C	C	.	.			trans	66.9	14.4	-171.6	0	0	0	0	0	114	L467 N479	L467-G483 WeakPolarHBondContact CD2-O 3.45Å; N479-G483 VanDerWaalsContact O-CA 3.32Å; N479-G483 WeakPolarHBondContact O-CA 3.16Å; N479-G483 PolarHBondContact O-N 2.85Å
484	Q	98	Very high	97.4	Very high	107 Å²	107	30.1 Å²	30.1	50%	0.5	17%	0.172	S	C	.	.			trans	-103.6	161.7	-177.5	-56.2	-52.7	-60.3	0	0	112.4	L478 N479 S482	L478-Q484 CarbonylContact C-O 3.56Å; N479-Q484 PolarHBondContact N-O 3.18Å; S482-Q484 PolarHBondContact O-N 3.14Å; S482-Q484 PolarHBondContact O-NE2 2.61Å; S482-Q484 PolarHBondContact OG-N 2.81Å
485	W	98.2	Very high	97.3	Very high	38 Å²	38	32.6 Å²	32.6	14%	0.144	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-61.7	145.4	172.4	-59.6	126.9	0	0	0	112.7	L464 L467 E468 Y474 P475 L478	L464-W485 HydrophobicContact CD2-CH2 3.6Å; L464-W485 HydrophobicContact CD2-CZ2 4.49Å; L464-W485 HydrophobicContact CD2-CZ3 4.17Å; L467-W485 HydrophobicContact CB-CZ2 4Å; L467-W485 HydrophobicContact CD1-CD2 3.97Å; L467-W485 HydrophobicContact CD1-CE3 4.35Å; L467-W485 HydrophobicContact CD1-CH2 4.15Å; L467-W485 HydrophobicContact CD1-CZ2 3.74Å; L467-W485 HydrophobicContact CD1-CZ3 4.44Å; E468-W485 PolarHBondContact O-NE1 2.97Å; Y474-W485 HydrophobicContact CD1-CH2 4.04Å; Y474-W485 HydrophobicContact CD1-CZ2 4.44Å; P475-W485 HydrophobicContact CB-CB 4.41Å; P475-W485 HydrophobicContact CB-CD2 4.07Å; P475-W485 HydrophobicContact CB-CE3 3.84Å; P475-W485 HydrophobicContact CB-CG 4.33Å; P475-W485 HydrophobicContact CB-CZ3 4.43Å; P475-W485 HydrophobicContact CG-CB 4.24Å; P475-W485 HydrophobicContact CG-CD2 3.73Å; P475-W485 HydrophobicContact CG-CE3 3.99Å; P475-W485 HydrophobicContact CG-CG 3.84Å; P475-W485 WeakPolarHBondContact O-CZ3 2.99Å; L478-W485 HydrophobicContact CB-CE3 4.07Å; L478-W485 HydrophobicContact CB-CZ3 4.15Å; L478-W485 HydrophobicContact CD1-CE3 4.32Å; L478-W485 HydrophobicContact CD1-CH2 4.46Å; L478-W485 HydrophobicContact CD1-CZ3 3.94Å; L478-W485 HydrophobicContact CG-CE3 4.08Å; L478-W485 HydrophobicContact CG-CZ3 4.18Å
486	G	96	Very high	97.3	Very high	23 Å²	23	32.6 Å²	32.6	24%	0.237	19%	0.185	C	C	.	.			trans	-87	-140.8	164.7	0	0	0	0	0	111.2	Y477 H488	Y477-G486 PolarHBondContact O-N 2.54Å; G486-H488 PolarHBondContact O-CD2 2.85Å; G486-H488 PolarHBondContact O-N 2.8Å
487	Q	94.8	Very high	97.3	Very high	63 Å²	63	33 Å²	33	29%	0.294	19%	0.187	S	C	.	.	S	Bend	trans	-59.9	135.7	175.1	68.8	-167.1	7.5	0	0	112.1	S425 Y477 H489	S425-Q487 WeakPolarHBondContact OG-CG 3.27Å; S425-Q487 PolarHBondContact OG-OE1 3.2Å; Y477-Q487 HydrophobicContact CD2-CG 3.62Å; Y477-Q487 HydrophobicContact CE2-CG 3.94Å; Y477-Q487 HydrophobicContact CG-CG 4.13Å; Y477-Q487 PolarHBondContact OH-NE2 2.81Å; Q487-H489 VanDerWaalsContact CD-CE1 3.43Å; Q487-H489 HydrophobicContact CG-CB 4.39Å; Q487-H489 PolarHBondContact NE2-ND1 2.93Å; Q487-H489 VanDerWaalsContact NE2-ND1 3.18Å; Q487-H489 PolarHBondContact O-N 2.85Å
488	H	96.6	Very high	97.3	Very high	86 Å²	86	32.3 Å²	32.3	40%	0.398	19%	0.185	S	C	.	.			trans	-76.8	62	179.8	-64.8	177.2	0	0	0	111.9	G486 W546 G548	G486-H488 PolarHBondContact O-CD2 2.85Å; G486-H488 PolarHBondContact O-N 2.8Å; H488-W546 HydrophobicContact CB-CZ3 4.06Å; H488-W546 VanDerWaalsContact O-CZ3 3.32Å; H488-W546 WeakPolarHBondContact O-CZ3 3.39Å; H488-G548 PolarHBondContact O-N 3.3Å
489	H	97.8	Very high	97.3	Very high	63 Å²	63	32.5 Å²	32.5	29%	0.292	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131.8	167.6	-64.1	173.2	0	0	0	108.6	P475 N476 Y477 Q487 W546 K547	P475-H489 CarbonylContact C-O 3.6Å; P475-H489 WeakPolarHBondContact CA-O 3.27Å; N476-H489 PolarHBondContact N-O 3.36Å; N476-H489 PolarHBondContact OD1-O 3.06Å; Y477-H489 HydrophobicContact CE2-CB 4.31Å; Q487-H489 VanDerWaalsContact CD-CE1 3.43Å; Q487-H489 HydrophobicContact CG-CB 4.39Å; Q487-H489 PolarHBondContact NE2-ND1 2.93Å; Q487-H489 VanDerWaalsContact NE2-ND1 3.18Å; Q487-H489 PolarHBondContact O-N 2.85Å; H489-W546 WeakPolarHBondContact CA-O 3.32Å; H489-K547 HydrophobicContact CB-CG 4.48Å
490	V	98.6	Very high	97.3	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	134	-177.5	-178.9	0	0	0	0	108.4	L473 N476 L532 W546	L473-V490 HydrophobicContact CB-CG1 4.04Å; L473-V490 HydrophobicContact CB-CG2 3.86Å; L473-V490 HydrophobicContact CD1-CG1 4.39Å; L473-V490 HydrophobicContact CD1-CG2 4.3Å; L473-V490 HydrophobicContact CD2-CG1 4.4Å; N476-V490 WeakPolarHBondContact OD1-CA 3.2Å; V490-L532 HydrophobicContact CG1-CD2 4.05Å; V490-W546 HydrophobicContact CB-CB 4.34Å; V490-W546 HydrophobicContact CB-CE3 4.03Å; V490-W546 HydrophobicContact CG2-CE3 3.58Å; V490-W546 HydrophobicContact CG2-CZ3 3.91Å; V490-W546 PolarHBondContact N-O 2.81Å; V490-W546 PolarHBondContact O-N 3.31Å
491	S	98.3	Very high	97.4	Very high	12 Å²	12	31.3 Å²	31.3	8%	0.084	18%	0.179	C	C	.	.			trans	-146.3	149.8	172.5	-170.5	0	0	0	0	110.6	N476 G493	N476-S491 PolarHBondContact ND2-N 3.44Å; N476-S491 PolarHBondContact OD1-N 3.12Å; S491-G493 PolarHBondContact OG-N 2.92Å
492	V	98.6	Very high	97.5	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	16%	0.157	C	C	.	.	S	Bend	trans	-102.5	11.1	166.5	-161	0	0	0	0	110.2	Y500 I528 L532 I543 T559 F561 A562	V492-Y500 HydrophobicContact CG1-CD2 4.12Å; V492-Y500 HydrophobicContact CG2-CE2 4.34Å; V492-I528 HydrophobicContact CG1-CD1 4.45Å; V492-I528 HydrophobicContact CG2-CD1 3.7Å; V492-I528 HydrophobicContact CG2-CG1 3.82Å; V492-I528 HydrophobicContact CG2-CG2 3.9Å; V492-L532 HydrophobicContact CG2-CD2 3.94Å; V492-I543 HydrophobicContact CB-CD1 4.48Å; V492-I543 HydrophobicContact CB-CG2 4.11Å; V492-I543 HydrophobicContact CG1-CD1 4.45Å; V492-I543 HydrophobicContact CG2-CG2 3.88Å; V492-T559 HydrophobicContact CB-CG2 4.31Å; V492-T559 WeakPolarHBondContact O-CA 3.38Å; V492-T559 WeakPolarHBondContact O-CG2 3.24Å; V492-F561 HydrophobicContact CG1-CE1 4.09Å; V492-F561 HydrophobicContact CG1-CZ 4.36Å; V492-F561 WeakPolarHBondContact O-CE1 3.49Å; V492-A562 HydrophobicContact CG1-CB 4.37Å
493	G	96.8	Very high	97.6	Very high	1 Å²	1	25 Å²	25	1%	0.01	14%	0.135	C	C	.	.	S	Bend	trans	-106.2	-152.6	153.6	0	0	0	0	0	110.2	S491 G496 D497 T559	S491-G493 PolarHBondContact OG-N 2.92Å; G493-G496 PolarHBondContact O-N 2.88Å; G493-D497 VanDerWaalsContact O-CG 3.27Å; G493-D497 PolarHBondContact O-N 3.06Å; G493-T559 WeakPolarHBondContact CA-OG1 3.39Å; G493-T559 PolarHBondContact N-OG1 3.17Å
494	G	93.1	Very high	97.7	Very high	31 Å²	31	24.9 Å²	24.9	32%	0.32	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-41.9	138.8	-170.2	0	0	0	0	0	115.2	N476 G496 D497	N476-G494 PolarHBondContact ND2-O 3.09Å; G494-G496 VanDerWaalsContact C-N 3.3Å; G494-D497 WeakPolarHBondContact CA-OD2 3.48Å; G494-D497 PolarHBondContact N-OD2 3.02Å
495	L	97.2	Very high	97.8	Very high	55 Å²	55	20 Å²	20	29%	0.288	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-1.2	-175.3	-45.1	175.9	0	0	0	115	W423 I430 A432 N476 Y477	W423-L495 HydrophobicContact CH2-CD2 3.93Å; W423-L495 HydrophobicContact CZ3-CD1 4.48Å; I430-L495 HydrophobicContact CD1-CD2 4.34Å; I430-L495 HydrophobicContact CG1-CD2 4.35Å; I430-L495 HydrophobicContact CG2-CB 3.65Å; I430-L495 HydrophobicContact CG2-CD2 3.69Å; I430-L495 HydrophobicContact CG2-CG 4.26Å; I430-L495 WeakPolarHBondContact CG2-O 3.33Å; A432-L495 PolarHBondContact N-O 3.36Å; N476-L495 HydrophobicContact CB-CB 4.01Å; N476-L495 WeakPolarHBondContact CB-O 3.44Å; N476-L495 PolarHBondContact ND2-O 3.39Å; Y477-L495 HydrophobicContact CE2-CD1 4.44Å; Y477-L495 VanDerWaalsContact OH-CD1 3.28Å; Y477-L495 WeakPolarHBondContact OH-CD1 3.45Å
496	G	98.1	Very high	97.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148.6	-36.3	-178.9	0	0	0	0	0	115.6	G493 G494 S498 F499 Y500	G493-G496 PolarHBondContact O-N 2.88Å; G494-G496 VanDerWaalsContact C-N 3.3Å; G496-S498 PolarHBondContact O-N 2.83Å; G496-F499 WeakPolarHBondContact O-CB 3.45Å; G496-F499 PolarHBondContact O-N 3.13Å; G496-Y500 WeakPolarHBondContact O-CD2 3.24Å; G496-Y500 VanDerWaalsContact O-CE2 3.25Å; G496-Y500 WeakPolarHBondContact O-CE2 3.33Å
497	D	98.4	Very high	97.9	Very high	13 Å²	13	17.6 Å²	17.6	7%	0.07	9%	0.094	C	C	.	.	H	α-helix	trans	-20.5	-81.3	168.2	37.6	24	0	0	0	117	A432 G493 G494 F499 Y500 F561	A432-D497 WeakPolarHBondContact CB-OD1 3.44Å; G493-D497 VanDerWaalsContact O-CG 3.27Å; G493-D497 PolarHBondContact O-N 3.06Å; G494-D497 WeakPolarHBondContact CA-OD2 3.48Å; G494-D497 PolarHBondContact N-OD2 3.02Å; D497-F499 PolarHBondContact O-N 3.1Å; D497-F499 VanDerWaalsContact O-N 3.12Å; D497-Y500 WeakPolarHBondContact O-CD2 3.46Å; D497-Y500 PolarHBondContact O-N 2.95Å; D497-F561 HydrophobicContact CB-CD1 4.01Å; D497-F561 HydrophobicContact CB-CE1 3.55Å; D497-F561 HydrophobicContact CB-CZ 4.3Å; D497-F561 WeakPolarHBondContact O-CZ 3.41Å
498	S	98.6	Very high	98.1	Very high	4 Å²	4	15.4 Å²	15.4	3%	0.028	8%	0.084	C	C	.	.	H	α-helix	trans	-74.5	-7	-164.9	55.5	0	0	0	0	114.6	T436 G496 E501 Y502 S717	T436-S498 WeakPolarHBondContact CG2-OG 3.22Å; T436-S498 VanDerWaalsContact OG1-CB 3.29Å; T436-S498 WeakPolarHBondContact OG1-CB 3.24Å; T436-S498 PolarHBondContact OG1-O 2.89Å; T436-S498 PolarHBondContact OG1-OG 3.4Å; G496-S498 PolarHBondContact O-N 2.83Å; S498-E501 WeakPolarHBondContact CB-OE2 3.41Å; S498-E501 WeakPolarHBondContact O-CB 3.31Å; S498-Y502 WeakPolarHBondContact O-CB 3.47Å; S498-Y502 PolarHBondContact O-N 3.49Å; S498-S717 WeakPolarHBondContact CB-OG 3.22Å
499	F	98.9	Very high	98.2	Very high	5 Å²	5	11.4 Å²	11.4	2%	0.022	7%	0.066	C	C	.	.	H	α-helix	trans	-63.8	-46.4	165.4	160.3	-105	0	0	0	111.3	L431 T436 L464 Y474 G496 D497 E501 Y502 L503 M520	L431-F499 HydrophobicContact CD1-CB 4.38Å; L431-F499 HydrophobicContact CD1-CD1 3.82Å; L431-F499 HydrophobicContact CD1-CD2 4.04Å; L431-F499 HydrophobicContact CD1-CE1 4.06Å; L431-F499 HydrophobicContact CD1-CE2 4.28Å; L431-F499 HydrophobicContact CD1-CG 3.8Å; L431-F499 HydrophobicContact CD1-CZ 4.27Å; L431-F499 HydrophobicContact CD2-CD1 3.75Å; L431-F499 HydrophobicContact CD2-CE1 4.25Å; L431-F499 HydrophobicContact CD2-CG 4.31Å; L431-F499 HydrophobicContact CG-CB 3.95Å; L431-F499 HydrophobicContact CG-CD1 3.78Å; L431-F499 HydrophobicContact CG-CE1 4.43Å; L431-F499 HydrophobicContact CG-CG 3.82Å; T436-F499 PolarHBondContact OG1-N 2.69Å; L464-F499 HydrophobicContact CD1-CE2 3.62Å; L464-F499 HydrophobicContact CD1-CZ 4.11Å; Y474-F499 AromaticContact CD1-CE1 3.61Å; Y474-F499 HydrophobicContact CD1-CE1 3.61Å; Y474-F499 AromaticContact CD1-CZ 3.63Å; Y474-F499 HydrophobicContact CD1-CZ 3.63Å; Y474-F499 HydrophobicContact CD2-CE1 4.13Å; Y474-F499 AromaticContact CE1-CE1 3.99Å; Y474-F499 HydrophobicContact CE1-CE1 3.99Å; Y474-F499 AromaticContact CE1-CZ 3.66Å; Y474-F499 HydrophobicContact CE1-CZ 3.66Å; Y474-F499 HydrophobicContact CE2-CE1 4.47Å; Y474-F499 AromaticContact CG-CE1 3.69Å; Y474-F499 HydrophobicContact CG-CE1 3.69Å; Y474-F499 HydrophobicContact CG-CZ 4.2Å; G496-F499 WeakPolarHBondContact O-CB 3.45Å; G496-F499 PolarHBondContact O-N 3.13Å; D497-F499 PolarHBondContact O-N 3.1Å; D497-F499 VanDerWaalsContact O-N 3.12Å; F499-E501 VanDerWaalsContact C-N 3.3Å; F499-E501 PolarHBondContact O-N 2.71Å; F499-Y502 PolarHBondContact O-N 3.26Å; F499-L503 HydrophobicContact CE1-CD1 3.96Å; F499-L503 HydrophobicContact CE2-CD1 4.17Å; F499-L503 HydrophobicContact CE2-CD2 4.06Å; F499-L503 HydrophobicContact CE2-CG 4.18Å; F499-L503 HydrophobicContact CZ-CD1 3.71Å; F499-L503 HydrophobicContact CZ-CD2 4.32Å; F499-L503 HydrophobicContact CZ-CG 4.24Å; F499-L503 WeakPolarHBondContact O-CG 3.16Å; F499-L503 PolarHBondContact O-N 3.06Å; F499-M520 HydrophobicContact CZ-CE 4.34Å
500	Y	98.9	Very high	98.2	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.008	6%	0.058	C	C	.	.	H	α-helix	trans	-65.8	-38.3	179.5	-55.7	-72.9	0	0	0	111.2	Y474 V492 G496 D497 L503 L504 A524 I528	Y474-Y500 HydrophobicContact CD2-CE1 4.11Å; V492-Y500 HydrophobicContact CG1-CD2 4.12Å; V492-Y500 HydrophobicContact CG2-CE2 4.34Å; G496-Y500 WeakPolarHBondContact O-CD2 3.24Å; G496-Y500 VanDerWaalsContact O-CE2 3.25Å; G496-Y500 WeakPolarHBondContact O-CE2 3.33Å; D497-Y500 WeakPolarHBondContact O-CD2 3.46Å; D497-Y500 PolarHBondContact O-N 2.95Å; Y500-L503 PolarHBondContact O-N 3.12Å; Y500-L504 PolarHBondContact O-N 3.46Å; Y500-A524 HydrophobicContact CD1-CB 3.91Å; Y500-A524 HydrophobicContact CE1-CB 4.07Å; Y500-I528 HydrophobicContact CD1-CD1 3.87Å; Y500-I528 HydrophobicContact CD2-CD1 4.46Å; Y500-I528 HydrophobicContact CE1-CD1 3.88Å; Y500-I528 HydrophobicContact CE2-CD1 4.47Å; Y500-I528 HydrophobicContact CG-CD1 4.17Å
501	E	98.9	Very high	98.2	Very high	8 Å²	8	12.4 Å²	12.4	4%	0.037	8%	0.075	C	C	.	.	H	α-helix	trans	-56.5	-49.3	173.1	-164.9	-152.2	125.3	0	0	111.8	S498 F499 L503 L504 K505 F561 M565	S498-E501 WeakPolarHBondContact CB-OE2 3.41Å; S498-E501 WeakPolarHBondContact O-CB 3.31Å; F499-E501 VanDerWaalsContact C-N 3.3Å; F499-E501 PolarHBondContact O-N 2.71Å; E501-L503 VanDerWaalsContact C-N 3.29Å; E501-L503 PolarHBondContact O-N 3.35Å; E501-L504 PolarHBondContact O-N 3.22Å; E501-L504 VanDerWaalsContact O-N 3.16Å; E501-K505 HydrophobicContact CG-CD 3.81Å; E501-K505 HydrophobicContact CG-CG 4.48Å; E501-K505 WeakPolarHBondContact O-CB 3.48Å; E501-K505 WeakPolarHBondContact O-CG 3.36Å; E501-K505 PolarHBondContact O-N 3.16Å; E501-K505 VanDerWaalsContact OE1-CD 3.25Å; E501-K505 WeakPolarHBondContact OE1-CD 2.93Å; E501-K505 VanDerWaalsContact OE1-CE 3.23Å; E501-K505 WeakPolarHBondContact OE1-CE 3.1Å; E501-K505 IonicContact OE1-NZ 3.69Å; E501-K505 PolarHBondContact OE1-NZ 3.42Å; E501-F561 HydrophobicContact CB-CD2 4.31Å; E501-F561 HydrophobicContact CB-CE2 3.57Å; E501-F561 HydrophobicContact CB-CZ 4.24Å; E501-F561 HydrophobicContact CG-CD2 4.08Å; E501-F561 HydrophobicContact CG-CE2 3.79Å; E501-M565 HydrophobicContact CB-SD 4.46Å
502	Y	98.9	Very high	98.2	Very high	3 Å²	3	16.2 Å²	16.2	1%	0.012	9%	0.09	C	C	.	.	H	α-helix	trans	-73.3	-16.9	-178	-87.7	35.5	0	0	0	113.5	T436 H438 L439 E440 S498 F499 K505 A506 N716 S717	T436-Y502 VanDerWaalsContact CA-CD2 3.46Å; T436-Y502 HydrophobicContact CG2-CD1 3.83Å; T436-Y502 HydrophobicContact CG2-CD2 3.87Å; T436-Y502 HydrophobicContact CG2-CE1 3.53Å; T436-Y502 HydrophobicContact CG2-CE2 3.53Å; T436-Y502 HydrophobicContact CG2-CG 4Å; H438-Y502 HydrophobicContact CB-CD2 4.14Å; L439-Y502 HydrophobicContact CB-CE2 4.04Å; L439-Y502 HydrophobicContact CD1-CD1 3.98Å; L439-Y502 HydrophobicContact CD1-CD2 4.21Å; L439-Y502 HydrophobicContact CD1-CE1 3.59Å; L439-Y502 HydrophobicContact CD1-CE2 3.88Å; L439-Y502 HydrophobicContact CD1-CG 4.28Å; L439-Y502 HydrophobicContact CG-CD1 4.32Å; L439-Y502 HydrophobicContact CG-CD2 3.71Å; L439-Y502 HydrophobicContact CG-CE1 4.17Å; L439-Y502 HydrophobicContact CG-CE2 3.58Å; L439-Y502 HydrophobicContact CG-CG 4.1Å; E440-Y502 PolarHBondContact OE1-OH 3.5Å; E440-Y502 WeakPolarHBondContact OE2-CE2 3.48Å; S498-Y502 WeakPolarHBondContact O-CB 3.47Å; S498-Y502 PolarHBondContact O-N 3.49Å; F499-Y502 PolarHBondContact O-N 3.26Å; Y502-K505 HydrophobicContact CD1-CD 4.45Å; Y502-A506 WeakPolarHBondContact O-CB 3.3Å; Y502-A506 PolarHBondContact O-N 3.45Å; Y502-N716 VanDerWaalsContact OH-CB 3.27Å; Y502-N716 WeakPolarHBondContact OH-CB 3.35Å; Y502-S717 PolarHBondContact OH-N 3.37Å
503	L	98.9	Very high	98.1	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-67.8	-45.8	166	-62.3	175	0	0	0	111.2	F499 Y500 E501 W507 A517 M520 Y521	F499-L503 HydrophobicContact CE1-CD1 3.96Å; F499-L503 HydrophobicContact CE2-CD1 4.17Å; F499-L503 HydrophobicContact CE2-CD2 4.06Å; F499-L503 HydrophobicContact CE2-CG 4.18Å; F499-L503 HydrophobicContact CZ-CD1 3.71Å; F499-L503 HydrophobicContact CZ-CD2 4.32Å; F499-L503 HydrophobicContact CZ-CG 4.24Å; F499-L503 WeakPolarHBondContact O-CG 3.16Å; F499-L503 PolarHBondContact O-N 3.06Å; Y500-L503 PolarHBondContact O-N 3.12Å; E501-L503 VanDerWaalsContact C-N 3.29Å; E501-L503 PolarHBondContact O-N 3.35Å; L503-W507 PolarHBondContact O-N 2.96Å; L503-A517 WeakPolarHBondContact O-CB 3.25Å; L503-M520 HydrophobicContact CD1-CB 3.86Å; L503-M520 HydrophobicContact CD2-CB 3.86Å; L503-M520 HydrophobicContact CD2-CE 3.91Å; L503-M520 HydrophobicContact CD2-SD 4.05Å; L503-M520 HydrophobicContact CG-CB 4.38Å; L503-Y521 HydrophobicContact CB-CD2 4.45Å
504	L	98.9	Very high	98.2	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-65.8	-52.4	174.2	173.5	61.5	0	0	0	111.2	Y500 E501 A506 W507 L508 Y521 M565 L568	Y500-L504 PolarHBondContact O-N 3.46Å; E501-L504 PolarHBondContact O-N 3.22Å; E501-L504 VanDerWaalsContact O-N 3.16Å; L504-A506 VanDerWaalsContact C-N 3.34Å; L504-A506 PolarHBondContact O-N 2.9Å; L504-W507 HydrophobicContact CD1-CE3 4.14Å; L504-W507 WeakPolarHBondContact O-CB 3.49Å; L504-W507 PolarHBondContact O-N 2.87Å; L504-W507 VanDerWaalsContact O-N 3.16Å; L504-L508 HydrophobicContact CD1-CD1 3.91Å; L504-L508 HydrophobicContact CD1-CG 4.1Å; L504-L508 HydrophobicContact CG-CD1 3.96Å; L504-L508 HydrophobicContact CG-CG 4.5Å; L504-L508 PolarHBondContact O-N 3.02Å; L504-Y521 HydrophobicContact CB-CD1 4.36Å; L504-Y521 HydrophobicContact CB-CD2 3.69Å; L504-Y521 HydrophobicContact CB-CE1 4.35Å; L504-Y521 HydrophobicContact CB-CE2 3.67Å; L504-Y521 HydrophobicContact CB-CG 4.04Å; L504-Y521 HydrophobicContact CD1-CD1 4.28Å; L504-Y521 HydrophobicContact CD1-CE1 4.07Å; L504-Y521 HydrophobicContact CD2-CE2 4.29Å; L504-Y521 HydrophobicContact CG-CE2 4.46Å; L504-M565 HydrophobicContact CD2-CG 4.02Å; L504-M565 WeakPolarHBondContact CD2-O 3.34Å; L504-L568 HydrophobicContact CD2-CB 4.04Å; L504-L568 HydrophobicContact CD2-CD2 4.09Å; L504-L568 HydrophobicContact CD2-CG 4.04Å
505	K	98.9	Very high	98.4	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.017	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-35	-173.9	-71.1	-179	174.5	-178.7	0	112.1	L439 E501 Y502 L508 M509 E634 I714 F715 N716	L439-K505 HydrophobicContact CD1-CB 3.91Å; L439-K505 HydrophobicContact CD1-CD 4.35Å; L439-K505 HydrophobicContact CD2-CB 4.1Å; E501-K505 HydrophobicContact CG-CD 3.81Å; E501-K505 HydrophobicContact CG-CG 4.48Å; E501-K505 WeakPolarHBondContact O-CB 3.48Å; E501-K505 WeakPolarHBondContact O-CG 3.36Å; E501-K505 PolarHBondContact O-N 3.16Å; E501-K505 VanDerWaalsContact OE1-CD 3.25Å; E501-K505 WeakPolarHBondContact OE1-CD 2.93Å; E501-K505 VanDerWaalsContact OE1-CE 3.23Å; E501-K505 WeakPolarHBondContact OE1-CE 3.1Å; E501-K505 IonicContact OE1-NZ 3.69Å; E501-K505 PolarHBondContact OE1-NZ 3.42Å; Y502-K505 HydrophobicContact CD1-CD 4.45Å; K505-L508 PolarHBondContact O-N 3.5Å; K505-M509 WeakPolarHBondContact O-CB 3.06Å; K505-M509 PolarHBondContact O-N 2.85Å; K505-E634 IonicContact NZ-OE1 3.68Å; K505-I714 HydrophobicContact CB-CG2 3.69Å; K505-I714 HydrophobicContact CD-CG2 4.15Å; K505-I714 HydrophobicContact CG-CG2 3.85Å; K505-F715 WeakPolarHBondContact CD-O 3.39Å; K505-F715 WeakPolarHBondContact CE-O 3.48Å; K505-F715 PolarHBondContact NZ-O 3.42Å; K505-N716 PolarHBondContact NZ-O 3.06Å
506	A	98.8	Very high	98.5	Very high	2 Å²	2	26 Å²	26	2%	0.017	14%	0.135	C	C	.	.	H	α-helix	trans	-68	-36.6	174.2	0	0	0	0	0	113	L439 Y502 L504 S510 A517	L439-A506 HydrophobicContact CD2-CB 4.05Å; Y502-A506 WeakPolarHBondContact O-CB 3.3Å; Y502-A506 PolarHBondContact O-N 3.45Å; L504-A506 VanDerWaalsContact C-N 3.34Å; L504-A506 PolarHBondContact O-N 2.9Å; A506-S510 VanDerWaalsContact O-CB 3.31Å; A506-S510 WeakPolarHBondContact O-CB 3.4Å; A506-S510 PolarHBondContact O-N 2.89Å; A506-S510 VanDerWaalsContact O-N 3.12Å; A506-S510 PolarHBondContact O-OG 3.12Å; A506-A517 HydrophobicContact CB-CB 4.36Å
507	W	98.8	Very high	98.5	Very high	9 Å²	9	26 Å²	26	3%	0.034	14%	0.135	C	C	.	.	H	α-helix	trans	-63.4	-47.1	172.7	174.3	56.4	0	0	0	111.2	L503 L504 S510 K512 A517 K518	L503-W507 PolarHBondContact O-N 2.96Å; L504-W507 HydrophobicContact CD1-CE3 4.14Å; L504-W507 WeakPolarHBondContact O-CB 3.49Å; L504-W507 PolarHBondContact O-N 2.87Å; L504-W507 VanDerWaalsContact O-N 3.16Å; W507-S510 PolarHBondContact O-N 3.23Å; W507-S510 PolarHBondContact O-OG 3.43Å; W507-K512 HydrophobicContact CD2-CG 4.38Å; W507-K512 HydrophobicContact CH2-CB 4.48Å; W507-K512 HydrophobicContact CH2-CD 3.72Å; W507-K512 HydrophobicContact CH2-CG 3.84Å; W507-K512 HydrophobicContact CZ2-CB 3.62Å; W507-K512 HydrophobicContact CZ2-CD 3.64Å; W507-K512 HydrophobicContact CZ2-CG 3.46Å; W507-K512 VanDerWaalsContact CZ2-CG 3.46Å; W507-K512 HydrophobicContact CZ3-CG 4.45Å; W507-K512 VanDerWaalsContact NE1-C 3.28Å; W507-K512 VanDerWaalsContact NE1-CA 3.33Å; W507-K512 PolarHBondContact NE1-O 2.86Å; W507-K512 WeakPolarHBondContact O-CA 3.44Å; W507-K512 PolarHBondContact O-N 2.9Å; W507-K512 VanDerWaalsContact O-N 3.08Å; W507-A517 HydrophobicContact CB-CB 4.05Å; W507-K518 HydrophobicContact CB-CB 4.38Å; W507-K518 HydrophobicContact CD2-CB 4.03Å; W507-K518 HydrophobicContact CD2-CD 4.19Å; W507-K518 HydrophobicContact CD2-CG 4.05Å; W507-K518 HydrophobicContact CG-CB 3.75Å; W507-K518 HydrophobicContact CG-CG 4.31Å; W507-K518 HydrophobicContact CH2-CD 4.45Å; W507-K518 HydrophobicContact CZ2-CD 3.8Å
508	L	98.6	Very high	98.5	Very high	17 Å²	17	28.2 Å²	28.2	9%	0.089	14%	0.144	C	C	.	.	H	α-helix	trans	-64.6	-48.4	178.6	-64.2	174.3	0	0	0	112.4	L504 K505 S510 D511 K512 L568 I714	L504-L508 HydrophobicContact CD1-CD1 3.91Å; L504-L508 HydrophobicContact CD1-CG 4.1Å; L504-L508 HydrophobicContact CG-CD1 3.96Å; L504-L508 HydrophobicContact CG-CG 4.5Å; L504-L508 PolarHBondContact O-N 3.02Å; K505-L508 PolarHBondContact O-N 3.5Å; L508-S510 PolarHBondContact O-N 3.11Å; L508-D511 PolarHBondContact O-N 3.26Å; L508-K512 HydrophobicContact CD2-CG 4.42Å; L508-L568 HydrophobicContact CD1-CD1 4.09Å; L508-L568 HydrophobicContact CD1-CD2 3.94Å; L508-L568 HydrophobicContact CD1-CG 3.76Å; L508-I714 HydrophobicContact CB-CD1 3.64Å; L508-I714 HydrophobicContact CB-CG1 4.38Å; L508-I714 HydrophobicContact CD1-CD1 4.33Å
509	M	98.6	Very high	98.5	Very high	3 Å²	3	34 Å²	34	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-26.9	-179.5	-170.2	-164.2	75.8	0	0	113.1	L439 M442 H443 K505 D511 I714 I724 L725	L439-M509 HydrophobicContact CB-SD 3.75Å; L439-M509 HydrophobicContact CD2-CB 4.36Å; L439-M509 HydrophobicContact CD2-CE 4.05Å; L439-M509 HydrophobicContact CD2-SD 3.6Å; L439-M509 VanDerWaalsContact CD2-SD 3.6Å; L439-M509 HydrophobicContact CG-SD 4.18Å; M442-M509 HydrophobicContact CB-CE 3.74Å; M442-M509 HydrophobicContact CG-CE 4.31Å; H443-M509 PolarHBondContact CD2-SD 3.28Å; H443-M509 PolarHBondContact NE2-SD 3.1Å; K505-M509 WeakPolarHBondContact O-CB 3.06Å; K505-M509 PolarHBondContact O-N 2.85Å; M509-D511 PolarHBondContact O-N 3.05Å; M509-I714 HydrophobicContact CB-CB 4.41Å; M509-I714 HydrophobicContact CB-CG1 3.98Å; M509-I724 CarbonylContact O-C 3.47Å; M509-L725 HydrophobicContact CE-CD1 4.18Å; M509-L725 PolarHBondContact O-N 2.9Å
510	S	98.3	Very high	98.5	Very high	17 Å²	17	34 Å²	34	12%	0.119	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	25.7	176.3	59.2	0	0	0	0	113.9	A506 W507 L508 K512 T513 D514	A506-S510 VanDerWaalsContact O-CB 3.31Å; A506-S510 WeakPolarHBondContact O-CB 3.4Å; A506-S510 PolarHBondContact O-N 2.89Å; A506-S510 VanDerWaalsContact O-N 3.12Å; A506-S510 PolarHBondContact O-OG 3.12Å; W507-S510 PolarHBondContact O-N 3.23Å; W507-S510 PolarHBondContact O-OG 3.43Å; L508-S510 PolarHBondContact O-N 3.11Å; S510-K512 PolarHBondContact O-N 2.86Å; S510-T513 VanDerWaalsContact O-CB 3.32Å; S510-T513 WeakPolarHBondContact O-CB 3.5Å; S510-T513 WeakPolarHBondContact O-CG2 3.47Å; S510-T513 PolarHBondContact O-N 2.9Å; S510-T513 PolarHBondContact O-OG1 2.71Å; S510-D514 VanDerWaalsContact OG-CB 3.27Å; S510-D514 WeakPolarHBondContact OG-CB 3.47Å; S510-D514 PolarHBondContact OG-N 3.16Å
511	D	97.7	Very high	98.5	Very high	70 Å²	70	34 Å²	34	37%	0.374	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	40.3	-175.4	-155.8	36.6	0	0	0	111.6	L508 M509 T513 I724 R726	L508-D511 PolarHBondContact O-N 3.26Å; M509-D511 PolarHBondContact O-N 3.05Å; D511-T513 PolarHBondContact O-N 3.3Å; D511-I724 HydrophobicContact CB-CG2 3.76Å; D511-R726 HydrophobicContact CB-CG 4.16Å; D511-R726 IonicContact OD1-NE 3.68Å
512	K	97.6	Very high	98.5	Very high	91 Å²	91	34.7 Å²	34.7	40%	0.396	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	19.1	-173.8	-63.8	178.9	172.9	174.6	0	114.8	W507 L508 S510 D571	W507-K512 HydrophobicContact CD2-CG 4.38Å; W507-K512 HydrophobicContact CH2-CB 4.48Å; W507-K512 HydrophobicContact CH2-CD 3.72Å; W507-K512 HydrophobicContact CH2-CG 3.84Å; W507-K512 HydrophobicContact CZ2-CB 3.62Å; W507-K512 HydrophobicContact CZ2-CD 3.64Å; W507-K512 HydrophobicContact CZ2-CG 3.46Å; W507-K512 VanDerWaalsContact CZ2-CG 3.46Å; W507-K512 HydrophobicContact CZ3-CG 4.45Å; W507-K512 VanDerWaalsContact NE1-C 3.28Å; W507-K512 VanDerWaalsContact NE1-CA 3.33Å; W507-K512 PolarHBondContact NE1-O 2.86Å; W507-K512 WeakPolarHBondContact O-CA 3.44Å; W507-K512 PolarHBondContact O-N 2.9Å; W507-K512 VanDerWaalsContact O-N 3.08Å; L508-K512 HydrophobicContact CD2-CG 4.42Å; S510-K512 PolarHBondContact O-N 2.86Å; K512-D571 IonicContact NZ-OD2 3.79Å; K512-D571 PolarHBondContact NZ-OD2 2.96Å
513	T	97.8	Very high	98.5	Very high	75 Å²	75	38 Å²	38	46%	0.46	19%	0.189	S	C	.	.			trans	-94.1	-18.2	-176.3	71.4	0	0	0	0	116.6	S510 D511 L515	S510-T513 VanDerWaalsContact O-CB 3.32Å; S510-T513 WeakPolarHBondContact O-CB 3.5Å; S510-T513 WeakPolarHBondContact O-CG2 3.47Å; S510-T513 PolarHBondContact O-N 2.9Å; S510-T513 PolarHBondContact O-OG1 2.71Å; D511-T513 PolarHBondContact O-N 3.3Å; T513-L515 VanDerWaalsContact C-N 3.33Å; T513-L515 PolarHBondContact O-N 3.26Å
514	D	98.1	Very high	98.5	Very high	23 Å²	23	38 Å²	38	12%	0.123	19%	0.189	C	C	.	.			trans	-76	83	170.3	-173.5	-6.5	0	0	0	111	R461 S510 E516 A517 K518	R461-D514 IonicContact CZ-OD2 2.83Å; R461-D514 IonicContact NH1-OD1 3.4Å; R461-D514 IonicContact NH1-OD2 3.83Å; R461-D514 PolarHBondContact NH1-OD2 3.21Å; R461-D514 IonicContact NH2-OD2 2.72Å; R461-D514 PolarHBondContact NH2-OD2 2.93Å; S510-D514 VanDerWaalsContact OG-CB 3.27Å; S510-D514 WeakPolarHBondContact OG-CB 3.47Å; S510-D514 PolarHBondContact OG-N 3.16Å; D514-E516 PolarHBondContact O-N 2.83Å; D514-E516 WeakPolarHBondContact OD1-CB 3.45Å; D514-E516 PolarHBondContact OD1-N 3.33Å; D514-E516 VanDerWaalsContact OD1-N 3.07Å; D514-A517 HydrophobicContact CB-CB 4Å; D514-A517 PolarHBondContact O-N 3.04Å; D514-A517 PolarHBondContact OD1-N 3.28Å; D514-A517 VanDerWaalsContact OD2-CB 3.27Å; D514-A517 WeakPolarHBondContact OD2-CB 3.37Å; D514-K518 PolarHBondContact O-N 3Å; D514-K518 VanDerWaalsContact O-N 3.12Å
515	L	98.3	Very high	98.5	Very high	122 Å²	122	37.9 Å²	37.9	64%	0.639	19%	0.189	S	C	*	.	H	α-helix	trans	-68.9	-18.3	178	-57.5	-177.2	0	0	0	113.3	T513 K519	T513-L515 VanDerWaalsContact C-N 3.33Å; T513-L515 PolarHBondContact O-N 3.26Å; L515-K519 PolarHBondContact O-N 3.08Å; L515-K519 VanDerWaalsContact O-N 3.14Å
516	E	98.4	Very high	98.5	Very high	74 Å²	74	42.4 Å²	42.4	35%	0.346	21%	0.21	S	C	.	.	H	α-helix	trans	-70.6	-49.8	172.6	-169.6	-157	59.2	0	0	109.4	R461 N465 D514 K518 K519 M520	R461-E516 VanDerWaalsContact CB-OE1 3.29Å; R461-E516 WeakPolarHBondContact CB-OE1 3.46Å; R461-E516 WeakPolarHBondContact CD-OE1 3.48Å; R461-E516 WeakPolarHBondContact CG-OE1 3.44Å; R461-E516 IonicContact CZ-OE1 2.68Å; R461-E516 IonicContact NE-OE1 3.67Å; R461-E516 IonicContact NH1-OE1 2.69Å; R461-E516 PolarHBondContact NH1-OE1 2.63Å; N465-E516 PolarHBondContact ND2-OE2 2.89Å; D514-E516 PolarHBondContact O-N 2.83Å; D514-E516 WeakPolarHBondContact OD1-CB 3.45Å; D514-E516 PolarHBondContact OD1-N 3.33Å; D514-E516 VanDerWaalsContact OD1-N 3.07Å; E516-K518 VanDerWaalsContact C-N 3.32Å; E516-K518 PolarHBondContact O-N 2.83Å; E516-K519 PolarHBondContact O-N 3.3Å; E516-K519 VanDerWaalsContact O-N 3.16Å; E516-M520 HydrophobicContact CG-CG 4.43Å; E516-M520 HydrophobicContact CG-SD 4.07Å; E516-M520 WeakPolarHBondContact O-CG 3.38Å; E516-M520 PolarHBondContact O-N 2.82Å
517	A	98.8	Very high	98.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56.6	-45.4	174.6	0	0	0	0	0	112	L503 A506 W507 D514 K519 M520 Y521	L503-A517 WeakPolarHBondContact O-CB 3.25Å; A506-A517 HydrophobicContact CB-CB 4.36Å; W507-A517 HydrophobicContact CB-CB 4.05Å; D514-A517 HydrophobicContact CB-CB 4Å; D514-A517 PolarHBondContact O-N 3.04Å; D514-A517 PolarHBondContact OD1-N 3.28Å; D514-A517 VanDerWaalsContact OD2-CB 3.27Å; D514-A517 WeakPolarHBondContact OD2-CB 3.37Å; A517-K519 VanDerWaalsContact C-N 3.34Å; A517-K519 PolarHBondContact O-N 3.47Å; A517-M520 PolarHBondContact O-N 3.1Å; A517-Y521 WeakPolarHBondContact O-CB 3.48Å; A517-Y521 PolarHBondContact O-N 2.83Å
518	K	98.7	Very high	98.4	Very high	60 Å²	60	42.3 Å²	42.3	26%	0.261	21%	0.211	S	C	.	.	H	α-helix	trans	-54.9	-49.9	175.3	-170.9	176.8	-175.9	164.9	0	111.4	W507 D514 E516 Y521 F522 G572	W507-K518 HydrophobicContact CB-CB 4.38Å; W507-K518 HydrophobicContact CD2-CB 4.03Å; W507-K518 HydrophobicContact CD2-CD 4.19Å; W507-K518 HydrophobicContact CD2-CG 4.05Å; W507-K518 HydrophobicContact CG-CB 3.75Å; W507-K518 HydrophobicContact CG-CG 4.31Å; W507-K518 HydrophobicContact CH2-CD 4.45Å; W507-K518 HydrophobicContact CZ2-CD 3.8Å; D514-K518 PolarHBondContact O-N 3Å; D514-K518 VanDerWaalsContact O-N 3.12Å; E516-K518 VanDerWaalsContact C-N 3.32Å; E516-K518 PolarHBondContact O-N 2.83Å; K518-Y521 PolarHBondContact O-N 3.23Å; K518-F522 HydrophobicContact CG-CD2 3.89Å; K518-F522 HydrophobicContact CG-CE2 3.91Å; K518-F522 VanDerWaalsContact O-CD2 3.31Å; K518-F522 WeakPolarHBondContact O-CD2 3.29Å; K518-F522 PolarHBondContact O-N 2.97Å; K518-G572 WeakPolarHBondContact CE-O 3.32Å; K518-G572 PolarHBondContact NZ-O 2.85Å
519	K	98.6	Very high	98.4	Very high	126 Å²	126	43 Å²	43	55%	0.548	21%	0.214	S	C	.	.	H	α-helix	trans	-64.7	-48	-179.8	175.9	160.3	174.1	51.2	0	111.5	L515 E516 A517 Y521 F522 D523	L515-K519 PolarHBondContact O-N 3.08Å; L515-K519 VanDerWaalsContact O-N 3.14Å; E516-K519 PolarHBondContact O-N 3.3Å; E516-K519 VanDerWaalsContact O-N 3.16Å; A517-K519 VanDerWaalsContact C-N 3.34Å; A517-K519 PolarHBondContact O-N 3.47Å; K519-Y521 VanDerWaalsContact C-N 3.26Å; K519-Y521 PolarHBondContact O-N 2.92Å; K519-F522 PolarHBondContact O-N 3.41Å; K519-D523 VanDerWaalsContact CE-OD2 3.3Å; K519-D523 WeakPolarHBondContact CE-OD2 3.18Å; K519-D523 WeakPolarHBondContact CG-OD2 3.38Å; K519-D523 IonicContact NZ-OD1 2.58Å; K519-D523 PolarHBondContact NZ-OD1 3.05Å; K519-D523 IonicContact NZ-OD2 2.81Å; K519-D523 PolarHBondContact NZ-OD2 3.43Å; K519-D523 VanDerWaalsContact O-CB 3.27Å; K519-D523 WeakPolarHBondContact O-CB 3.47Å; K519-D523 PolarHBondContact O-N 2.7Å
520	M	98.8	Very high	98.4	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.025	23%	0.234	C	C	.	.	H	α-helix	trans	-58.4	-39.1	179.6	-70.7	178.1	74.3	0	0	112.2	L464 N465 Y474 F499 L503 E516 A517 A524	L464-M520 HydrophobicContact CB-CE 4.3Å; L464-M520 HydrophobicContact CD1-CE 4.42Å; N465-M520 PolarHBondContact ND2-SD 3.48Å; Y474-M520 HydrophobicContact CE1-CE 4.35Å; F499-M520 HydrophobicContact CZ-CE 4.34Å; L503-M520 HydrophobicContact CD1-CB 3.86Å; L503-M520 HydrophobicContact CD2-CB 3.86Å; L503-M520 HydrophobicContact CD2-CE 3.91Å; L503-M520 HydrophobicContact CD2-SD 4.05Å; L503-M520 HydrophobicContact CG-CB 4.38Å; E516-M520 HydrophobicContact CG-CG 4.43Å; E516-M520 HydrophobicContact CG-SD 4.07Å; E516-M520 WeakPolarHBondContact O-CG 3.38Å; E516-M520 PolarHBondContact O-N 2.82Å; A517-M520 PolarHBondContact O-N 3.1Å; M520-A524 WeakPolarHBondContact O-CB 3.31Å; M520-A524 PolarHBondContact O-N 3.36Å; M520-A524 VanDerWaalsContact O-N 3.07Å
521	Y	98.9	Very high	98.4	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-59.5	176.2	175	-107.8	0	0	0	111.7	L503 L504 A517 K518 K519 D523 A524 V525 M565	L503-Y521 HydrophobicContact CB-CD2 4.45Å; L504-Y521 HydrophobicContact CB-CD1 4.36Å; L504-Y521 HydrophobicContact CB-CD2 3.69Å; L504-Y521 HydrophobicContact CB-CE1 4.35Å; L504-Y521 HydrophobicContact CB-CE2 3.67Å; L504-Y521 HydrophobicContact CB-CG 4.04Å; L504-Y521 HydrophobicContact CD1-CD1 4.28Å; L504-Y521 HydrophobicContact CD1-CE1 4.07Å; L504-Y521 HydrophobicContact CD2-CE2 4.29Å; L504-Y521 HydrophobicContact CG-CE2 4.46Å; A517-Y521 WeakPolarHBondContact O-CB 3.48Å; A517-Y521 PolarHBondContact O-N 2.83Å; K518-Y521 PolarHBondContact O-N 3.23Å; K519-Y521 VanDerWaalsContact C-N 3.26Å; K519-Y521 PolarHBondContact O-N 2.92Å; Y521-D523 VanDerWaalsContact C-N 3.35Å; Y521-D523 PolarHBondContact O-N 2.81Å; Y521-A524 PolarHBondContact O-N 3.44Å; Y521-A524 VanDerWaalsContact O-N 3.11Å; Y521-V525 HydrophobicContact CD1-CG2 4.49Å; Y521-V525 HydrophobicContact CD2-CG2 3.95Å; Y521-V525 HydrophobicContact CE1-CG2 4.13Å; Y521-V525 HydrophobicContact CE2-CG2 3.55Å; Y521-V525 HydrophobicContact CG-CG2 4.41Å; Y521-V525 WeakPolarHBondContact O-CG2 3.48Å; Y521-V525 PolarHBondContact O-N 2.88Å; Y521-M565 HydrophobicContact CE2-CE 4.29Å; Y521-M565 HydrophobicContact CE2-CG 3.99Å; Y521-M565 HydrophobicContact CE2-SD 3.85Å; Y521-M565 PolarHBondContact OH-O 3.47Å
522	F	98.8	Very high	98.5	Very high	22 Å²	22	44.6 Å²	44.6	10%	0.096	22%	0.222	C	C	.	.	H	α-helix	trans	-67.5	-33.1	-175.9	-72.2	-69.6	0	0	0	113	K518 K519 Q526 G572 A573 Y581	K518-F522 HydrophobicContact CG-CD2 3.89Å; K518-F522 HydrophobicContact CG-CE2 3.91Å; K518-F522 VanDerWaalsContact O-CD2 3.31Å; K518-F522 WeakPolarHBondContact O-CD2 3.29Å; K518-F522 PolarHBondContact O-N 2.97Å; K519-F522 PolarHBondContact O-N 3.41Å; F522-Q526 WeakPolarHBondContact O-CB 3.39Å; F522-Q526 PolarHBondContact O-N 2.86Å; F522-G572 WeakPolarHBondContact CE2-O 3.18Å; F522-A573 HydrophobicContact CE1-CB 4.14Å; F522-A573 HydrophobicContact CZ-CB 4.32Å; F522-Y581 HydrophobicContact CD1-CE2 4.09Å; F522-Y581 HydrophobicContact CE1-CD2 4.3Å; F522-Y581 AromaticContact CE1-CE2 3.85Å; F522-Y581 HydrophobicContact CE1-CE2 3.85Å
523	D	98.7	Very high	98.5	Very high	73 Å²	73	41.2 Å²	41.2	39%	0.39	21%	0.208	S	C	.	.	H	α-helix	trans	-59.4	-45.9	169.9	-72.5	-6	0	0	0	111.3	K519 Y521 A527	K519-D523 VanDerWaalsContact CE-OD2 3.3Å; K519-D523 WeakPolarHBondContact CE-OD2 3.18Å; K519-D523 WeakPolarHBondContact CG-OD2 3.38Å; K519-D523 IonicContact NZ-OD1 2.58Å; K519-D523 PolarHBondContact NZ-OD1 3.05Å; K519-D523 IonicContact NZ-OD2 2.81Å; K519-D523 PolarHBondContact NZ-OD2 3.43Å; K519-D523 VanDerWaalsContact O-CB 3.27Å; K519-D523 WeakPolarHBondContact O-CB 3.47Å; K519-D523 PolarHBondContact O-N 2.7Å; Y521-D523 VanDerWaalsContact C-N 3.35Å; Y521-D523 PolarHBondContact O-N 2.81Å; D523-A527 PolarHBondContact O-N 2.78Å
524	A	98.8	Very high	98.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-69.2	-43	-179.2	0	0	0	0	0	112.2	Y474 Y500 M520 Y521 Q526 A527 I528	Y474-A524 HydrophobicContact CD2-CB 4.27Å; Y474-A524 HydrophobicContact CE2-CB 3.78Å; Y500-A524 HydrophobicContact CD1-CB 3.91Å; Y500-A524 HydrophobicContact CE1-CB 4.07Å; M520-A524 WeakPolarHBondContact O-CB 3.31Å; M520-A524 PolarHBondContact O-N 3.36Å; M520-A524 VanDerWaalsContact O-N 3.07Å; Y521-A524 PolarHBondContact O-N 3.44Å; Y521-A524 VanDerWaalsContact O-N 3.11Å; A524-Q526 PolarHBondContact O-N 3.35Å; A524-A527 PolarHBondContact O-N 3.45Å; A524-I528 VanDerWaalsContact O-CG1 3.3Å; A524-I528 WeakPolarHBondContact O-CG1 3.44Å; A524-I528 PolarHBondContact O-N 2.91Å
525	V	98.4	Very high	98.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-44.9	177.1	172.5	0	0	0	0	110.6	Y521 A527 I528 E529 F566 Y581	Y521-V525 HydrophobicContact CD1-CG2 4.49Å; Y521-V525 HydrophobicContact CD2-CG2 3.95Å; Y521-V525 HydrophobicContact CE1-CG2 4.13Å; Y521-V525 HydrophobicContact CE2-CG2 3.55Å; Y521-V525 HydrophobicContact CG-CG2 4.41Å; Y521-V525 WeakPolarHBondContact O-CG2 3.48Å; Y521-V525 PolarHBondContact O-N 2.88Å; V525-A527 VanDerWaalsContact C-N 3.27Å; V525-A527 PolarHBondContact O-N 3.39Å; V525-I528 WeakPolarHBondContact O-CB 3.31Å; V525-I528 PolarHBondContact O-N 3.01Å; V525-I528 VanDerWaalsContact O-N 3.1Å; V525-E529 HydrophobicContact CG1-CG 4.33Å; V525-E529 WeakPolarHBondContact O-CG 3.46Å; V525-E529 PolarHBondContact O-N 3.06Å; V525-F566 HydrophobicContact CG1-CD1 4.12Å; V525-F566 HydrophobicContact CG1-CE1 3.79Å; V525-F566 HydrophobicContact CG2-CD1 4.45Å; V525-F566 HydrophobicContact CG2-CE1 4.07Å; V525-Y581 HydrophobicContact CG1-CD1 4.44Å; V525-Y581 HydrophobicContact CG1-CE1 3.51Å
526	Q	98.4	Very high	98.6	Very high	99 Å²	99	41.5 Å²	41.5	46%	0.463	20%	0.196	S	C	.	.	H	α-helix	trans	-59.8	-36.8	176.9	-175.3	62.8	88.2	0	0	112.7	F522 A524 T530	F522-Q526 WeakPolarHBondContact O-CB 3.39Å; F522-Q526 PolarHBondContact O-N 2.86Å; A524-Q526 PolarHBondContact O-N 3.35Å; Q526-T530 WeakPolarHBondContact O-CB 3.3Å; Q526-T530 PolarHBondContact O-N 3.36Å; Q526-T530 VanDerWaalsContact O-N 3.16Å; Q526-T530 PolarHBondContact O-OG1 2.85Å
527	A	98.6	Very high	98.4	Very high	9 Å²	9	43.8 Å²	43.8	7%	0.074	22%	0.22	C	C	.	.	H	α-helix	trans	-70.7	-40.5	174.1	0	0	0	0	0	112.3	L473 D523 A524 V525 T530 H531	L473-A527 HydrophobicContact CD2-CB 3.89Å; D523-A527 PolarHBondContact O-N 2.78Å; A524-A527 PolarHBondContact O-N 3.45Å; V525-A527 VanDerWaalsContact C-N 3.27Å; V525-A527 PolarHBondContact O-N 3.39Å; A527-T530 PolarHBondContact O-N 3.2Å; A527-H531 WeakPolarHBondContact O-CB 3.4Å; A527-H531 PolarHBondContact O-CD2 3.21Å; A527-H531 VanDerWaalsContact O-CD2 3.25Å; A527-H531 PolarHBondContact O-N 2.94Å
528	I	98.8	Very high	98.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-48.1	174.6	-72.6	161.9	0	0	0	110.7	V492 Y500 A524 V525 T530 H531 L532 I533 I543	V492-I528 HydrophobicContact CG1-CD1 4.45Å; V492-I528 HydrophobicContact CG2-CD1 3.7Å; V492-I528 HydrophobicContact CG2-CG1 3.82Å; V492-I528 HydrophobicContact CG2-CG2 3.9Å; Y500-I528 HydrophobicContact CD1-CD1 3.87Å; Y500-I528 HydrophobicContact CD2-CD1 4.46Å; Y500-I528 HydrophobicContact CE1-CD1 3.88Å; Y500-I528 HydrophobicContact CE2-CD1 4.47Å; Y500-I528 HydrophobicContact CG-CD1 4.17Å; A524-I528 VanDerWaalsContact O-CG1 3.3Å; A524-I528 WeakPolarHBondContact O-CG1 3.44Å; A524-I528 PolarHBondContact O-N 2.91Å; V525-I528 WeakPolarHBondContact O-CB 3.31Å; V525-I528 PolarHBondContact O-N 3.01Å; V525-I528 VanDerWaalsContact O-N 3.1Å; I528-T530 PolarHBondContact O-N 2.91Å; I528-H531 PolarHBondContact O-N 3.12Å; I528-L532 HydrophobicContact CG2-CB 4.47Å; I528-L532 WeakPolarHBondContact O-CA 3.42Å; I528-L532 WeakPolarHBondContact O-CB 3.45Å; I528-L532 PolarHBondContact O-N 3Å; I528-I533 HydrophobicContact CG2-CD1 4.17Å; I528-I533 HydrophobicContact CG2-CG1 3.97Å; I528-I533 PolarHBondContact O-N 2.87Å; I528-I543 HydrophobicContact CG2-CG2 4.18Å
529	E	98.6	Very high	98.1	Very high	32 Å²	32	45.3 Å²	45.3	15%	0.15	24%	0.242	C	C	.	.	H	α-helix	trans	-57.5	-47.1	176.1	-71.1	-168.1	-108.3	0	0	111.8	V525 I533 H580 Y581 L584	V525-E529 HydrophobicContact CG1-CG 4.33Å; V525-E529 WeakPolarHBondContact O-CG 3.46Å; V525-E529 PolarHBondContact O-N 3.06Å; E529-I533 HydrophobicContact CG-CD1 4.09Å; E529-H580 IonicContact OE1-NE2 2.7Å; E529-H580 PolarHBondContact OE1-NE2 3.17Å; E529-H580 IonicContact OE2-CD2 3.28Å; E529-H580 IonicContact OE2-CE1 3.71Å; E529-H580 PolarHBondContact OE2-CE1 2.95Å; E529-H580 VanDerWaalsContact OE2-CE1 3.26Å; E529-H580 IonicContact OE2-NE2 2.72Å; E529-H580 PolarHBondContact OE2-NE2 3.45Å; E529-Y581 VanDerWaalsContact OE1-CE1 3.24Å; E529-Y581 WeakPolarHBondContact OE1-CE1 3.39Å; E529-Y581 PolarHBondContact OE1-OH 3Å; E529-Y581 VanDerWaalsContact OE1-OH 3.13Å; E529-L584 HydrophobicContact CG-CD2 4.12Å
530	T	98.4	Very high	98.1	Very high	72 Å²	72	39.4 Å²	39.4	44%	0.442	22%	0.216	S	C	.	.	H	α-helix	trans	-65.1	-48.3	-178.9	-54.5	0	0	0	0	111.9	Q526 A527 I528 R534	Q526-T530 WeakPolarHBondContact O-CB 3.3Å; Q526-T530 PolarHBondContact O-N 3.36Å; Q526-T530 VanDerWaalsContact O-N 3.16Å; Q526-T530 PolarHBondContact O-OG1 2.85Å; A527-T530 PolarHBondContact O-N 3.2Å; I528-T530 PolarHBondContact O-N 2.91Å; T530-R534 PolarHBondContact O-NH1 2.69Å; T530-R534 PolarHBondContact O-NH2 3.45Å; T530-R534 VanDerWaalsContact O-NH2 3.11Å
531	H	98.3	Very high	98.1	Very high	50 Å²	50	39.8 Å²	39.8	23%	0.231	22%	0.219	C	C	.	.	H	α-helix	trans	-101.7	-32.2	-165.5	-62.4	-64.8	0	0	0	114.5	Q471 L473 A527 I528 R534 L551	Q471-H531 PolarHBondContact O-CD2 2.9Å; Q471-H531 VanDerWaalsContact O-CD2 3.29Å; Q471-H531 PolarHBondContact O-NE2 2.83Å; L473-H531 HydrophobicContact CD1-CB 4.02Å; L473-H531 HydrophobicContact CD2-CB 4.31Å; A527-H531 WeakPolarHBondContact O-CB 3.4Å; A527-H531 PolarHBondContact O-CD2 3.21Å; A527-H531 VanDerWaalsContact O-CD2 3.25Å; A527-H531 PolarHBondContact O-N 2.94Å; I528-H531 PolarHBondContact O-N 3.12Å; H531-R534 PolarHBondContact O-NH2 3.2Å; H531-L551 WeakPolarHBondContact O-CD2 3.45Å
532	L	98.6	Very high	98.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-32	-172	-81.9	64	0	0	0	113.9	L473 V490 V492 I528 I543 A544 W546	L473-L532 HydrophobicContact CD1-CD1 3.64Å; L473-L532 HydrophobicContact CD2-CD1 3.73Å; L473-L532 HydrophobicContact CG-CD1 4.35Å; V490-L532 HydrophobicContact CG1-CD2 4.05Å; V492-L532 HydrophobicContact CG2-CD2 3.94Å; I528-L532 HydrophobicContact CG2-CB 4.47Å; I528-L532 WeakPolarHBondContact O-CA 3.42Å; I528-L532 WeakPolarHBondContact O-CB 3.45Å; I528-L532 PolarHBondContact O-N 3Å; L532-I543 HydrophobicContact CB-CG2 3.85Å; L532-I543 HydrophobicContact CD2-CG2 4.4Å; L532-A544 WeakPolarHBondContact CD2-O 3.26Å; L532-A544 WeakPolarHBondContact CG-O 3.47Å; L532-A544 PolarHBondContact O-N 2.72Å; L532-W546 HydrophobicContact CD1-CB 3.78Å; L532-W546 HydrophobicContact CD1-CG 4.31Å; L532-W546 HydrophobicContact CG-CB 4.12Å
533	I	98.8	Very high	98.1	Very high	20 Å²	20	39.1 Å²	39.1	10%	0.103	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	128.3	-178.6	-56.5	-164	0	0	0	110.9	I528 E529 T541 Y542 I543 F566 L584	I528-I533 HydrophobicContact CG2-CD1 4.17Å; I528-I533 HydrophobicContact CG2-CG1 3.97Å; I528-I533 PolarHBondContact O-N 2.87Å; E529-I533 HydrophobicContact CG-CD1 4.09Å; I533-T541 HydrophobicContact CG2-CG2 3.66Å; I533-Y542 WeakPolarHBondContact CA-O 3.46Å; I533-I543 HydrophobicContact CD1-CD1 4.39Å; I533-I543 HydrophobicContact CD1-CG1 4.28Å; I533-I543 HydrophobicContact CG1-CG1 4.12Å; I533-I543 HydrophobicContact CG1-CG2 4.27Å; I533-F566 HydrophobicContact CD1-CE2 4.22Å; I533-F566 HydrophobicContact CD1-CZ 4.14Å; I533-L584 HydrophobicContact CD1-CD1 3.97Å; I533-L584 HydrophobicContact CD1-CD2 4.05Å; I533-L584 HydrophobicContact CG2-CD1 4.49Å
534	R	98.6	Very high	98.1	Very high	88 Å²	88	35.7 Å²	35.7	33%	0.332	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	165.7	-178.1	-60.9	-63.8	172.9	-114.1	10.3	110.3	T530 H531 T541 Y542 L551	T530-R534 PolarHBondContact O-NH1 2.69Å; T530-R534 PolarHBondContact O-NH2 3.45Å; T530-R534 VanDerWaalsContact O-NH2 3.11Å; H531-R534 PolarHBondContact O-NH2 3.2Å; R534-T541 WeakPolarHBondContact O-CA 3.29Å; R534-Y542 HydrophobicContact CB-CE1 4.06Å; R534-Y542 HydrophobicContact CB-CE2 3.85Å; R534-Y542 PolarHBondContact N-O 2.93Å; R534-Y542 WeakPolarHBondContact O-CD1 3.35Å; R534-Y542 PolarHBondContact O-N 3.42Å; R534-L551 HydrophobicContact CG-CD1 4.23Å
535	K	98.3	Very high	98.1	Very high	122 Å²	122	37.2 Å²	37.2	53%	0.53	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.5	177.7	-152.4	158	-163.7	139.7	0	110.5	G539 L540 T541 E587	K535-G539 WeakPolarHBondContact CE-O 3.34Å; K535-L540 CarbonylContact C-O 3.55Å; K535-L540 VanDerWaalsContact CA-O 3.3Å; K535-L540 WeakPolarHBondContact CA-O 3.49Å; K535-T541 VanDerWaalsContact CE-OG1 3.28Å; K535-T541 WeakPolarHBondContact CE-OG1 3.45Å; K535-T541 PolarHBondContact NZ-OG1 3.06Å; K535-E587 IonicContact NZ-OE2 2.66Å; K535-E587 PolarHBondContact NZ-OE2 2.82Å
536	S	97.7	Very high	98.1	Very high	16 Å²	16	38.3 Å²	38.3	11%	0.112	21%	0.209	C	C	.	.			trans	-82.1	174.6	-176	82	0	0	0	0	112.1	S538 G539 L540 E615	S536-S538 VanDerWaalsContact C-N 3.35Å; S536-S538 PolarHBondContact O-N 3.44Å; S536-S538 PolarHBondContact OG-N 3.46Å; S536-G539 PolarHBondContact O-N 3.13Å; S536-G539 PolarHBondContact OG-N 3.01Å; S536-L540 PolarHBondContact N-O 3.45Å; S536-L540 WeakPolarHBondContact OG-CB 3.19Å; S536-L540 PolarHBondContact OG-N 3.38Å; S536-E615 WeakPolarHBondContact CB-OE1 3.3Å; S536-E615 VanDerWaalsContact CB-OE2 3.25Å; S536-E615 WeakPolarHBondContact CB-OE2 3.42Å; S536-E615 PolarHBondContact OG-OE1 3.16Å; S536-E615 PolarHBondContact OG-OE2 2.89Å
537	S	94.9	Very high	97.9	Very high	122 Å²	122	36.8 Å²	36.8	85%	0.853	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-31.7	178.5	74.4	0	0	0	0	112.9	G539 E615	S537-G539 VanDerWaalsContact C-N 3.26Å; S537-E615 WeakPolarHBondContact CA-OE1 3.5Å; S537-E615 WeakPolarHBondContact CB-OE1 3.38Å; S537-E615 PolarHBondContact N-OE1 3.16Å; S537-E615 PolarHBondContact OG-OE1 2.88Å
538	S	94.6	Very high	97.5	Very high	71 Å²	71	39.3 Å²	39.3	50%	0.497	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	0.7	168.9	78.9	0	0	0	0	114.1	S536 E615	S536-S538 VanDerWaalsContact C-N 3.35Å; S536-S538 PolarHBondContact O-N 3.44Å; S536-S538 PolarHBondContact OG-N 3.46Å; S538-E615 VanDerWaalsContact CB-OE2 3.29Å; S538-E615 WeakPolarHBondContact CB-OE2 3.36Å; S538-E615 PolarHBondContact N-OE1 2.96Å; S538-E615 PolarHBondContact N-OE2 3.15Å; S538-E615 PolarHBondContact OG-OE2 3Å
539	G	97.3	Very high	97.1	Very high	22 Å²	22	41.8 Å²	41.8	23%	0.227	25%	0.254	C	S	.	.			trans	85	22.8	177.1	0	0	0	0	0	115.1	K535 S536 S537 R590	K535-G539 WeakPolarHBondContact CE-O 3.34Å; S536-G539 PolarHBondContact O-N 3.13Å; S536-G539 PolarHBondContact OG-N 3.01Å; S537-G539 VanDerWaalsContact C-N 3.26Å; G539-R590 PolarHBondContact O-NH2 3.18Å
540	L	98.6	Very high	97	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	28%	0.279	C	S	.	.			trans	-77.4	133.4	169.5	-64.5	168.3	0	0	0	110.3	K535 S536 T591 E594 F610 E615 A616	K535-L540 CarbonylContact C-O 3.55Å; K535-L540 VanDerWaalsContact CA-O 3.3Å; K535-L540 WeakPolarHBondContact CA-O 3.49Å; S536-L540 PolarHBondContact N-O 3.45Å; S536-L540 WeakPolarHBondContact OG-CB 3.19Å; S536-L540 PolarHBondContact OG-N 3.38Å; L540-T591 HydrophobicContact CB-CG2 4.32Å; L540-E594 HydrophobicContact CD2-CB 4.1Å; L540-E594 HydrophobicContact CD2-CG 3.99Å; L540-F610 HydrophobicContact CB-CE1 4.16Å; L540-F610 HydrophobicContact CD1-CE1 4Å; L540-E615 HydrophobicContact CD1-CB 4.37Å; L540-A616 HydrophobicContact CD1-CB 3.96Å
541	T	98.8	Very high	96.9	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.08	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	125.2	176.5	-55.4	0	0	0	0	108.9	I533 R534 K535 L584 E587 T591	I533-T541 HydrophobicContact CG2-CG2 3.66Å; R534-T541 WeakPolarHBondContact O-CA 3.29Å; K535-T541 VanDerWaalsContact CE-OG1 3.28Å; K535-T541 WeakPolarHBondContact CE-OG1 3.45Å; K535-T541 PolarHBondContact NZ-OG1 3.06Å; T541-L584 HydrophobicContact CG2-CD1 4.27Å; T541-E587 HydrophobicContact CG2-CB 4.46Å; T541-E587 PolarHBondContact OG1-OE2 2.92Å; T541-T591 PolarHBondContact N-OG1 3.21Å; T541-T591 VanDerWaalsContact O-CB 3.27Å; T541-T591 WeakPolarHBondContact O-CB 3.36Å; T541-T591 PolarHBondContact O-OG1 3.22Å
542	Y	98.8	Very high	96.9	Very high	8 Å²	8	44.3 Å²	44.3	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	160	-174.6	64	-87.8	0	0	0	111.8	I533 R534 A544 H553 F610	I533-Y542 WeakPolarHBondContact CA-O 3.46Å; R534-Y542 HydrophobicContact CB-CE1 4.06Å; R534-Y542 HydrophobicContact CB-CE2 3.85Å; R534-Y542 PolarHBondContact N-O 2.93Å; R534-Y542 WeakPolarHBondContact O-CD1 3.35Å; R534-Y542 PolarHBondContact O-N 3.42Å; Y542-A544 HydrophobicContact CE2-CB 4.32Å; Y542-H553 AromaticContact CZ-ND1 3.84Å; Y542-H553 PolarHBondContact OH-ND1 3.18Å; Y542-F610 VanDerWaalsContact CB-CE2 3.44Å; Y542-F610 HydrophobicContact CD1-CB 4.15Å; Y542-F610 AromaticContact CD1-CD1 3.7Å; Y542-F610 HydrophobicContact CD1-CD1 3.7Å; Y542-F610 AromaticContact CD1-CD2 3.78Å; Y542-F610 HydrophobicContact CD1-CD2 3.78Å; Y542-F610 HydrophobicContact CD1-CE1 4.01Å; Y542-F610 HydrophobicContact CD1-CE2 4.1Å; Y542-F610 AromaticContact CD1-CG 3.58Å; Y542-F610 HydrophobicContact CD1-CG 3.58Å; Y542-F610 HydrophobicContact CD1-CZ 4.2Å; Y542-F610 HydrophobicContact CD2-CB 4.46Å; Y542-F610 AromaticContact CD2-CD2 3.48Å; Y542-F610 HydrophobicContact CD2-CD2 3.48Å; Y542-F610 VanDerWaalsContact CD2-CD2 3.48Å; Y542-F610 AromaticContact CD2-CE2 3.9Å; Y542-F610 HydrophobicContact CD2-CE2 3.9Å; Y542-F610 HydrophobicContact CD2-CG 4.02Å; Y542-F610 HydrophobicContact CE1-CB 3.69Å; Y542-F610 AromaticContact CE1-CD1 4Å; Y542-F610 HydrophobicContact CE1-CD1 4Å; Y542-F610 HydrophobicContact CE1-CD2 4.15Å; Y542-F610 AromaticContact CE1-CG 3.66Å; Y542-F610 HydrophobicContact CE1-CG 3.66Å; Y542-F610 HydrophobicContact CE2-CB 4.03Å; Y542-F610 AromaticContact CE2-CD2 3.87Å; Y542-F610 HydrophobicContact CE2-CD2 3.87Å; Y542-F610 HydrophobicContact CE2-CG 4.1Å; Y542-F610 HydrophobicContact CG-CD1 4.17Å; Y542-F610 AromaticContact CG-CD2 3.43Å; Y542-F610 HydrophobicContact CG-CD2 3.43Å; Y542-F610 VanDerWaalsContact CG-CD2 3.43Å; Y542-F610 HydrophobicContact CG-CE1 4.25Å; Y542-F610 AromaticContact CG-CE2 3.55Å; Y542-F610 HydrophobicContact CG-CE2 3.55Å; Y542-F610 AromaticContact CG-CG 3.77Å; Y542-F610 HydrophobicContact CG-CG 3.77Å; Y542-F610 AromaticContact CG-CZ 3.97Å; Y542-F610 HydrophobicContact CG-CZ 3.97Å; Y542-F610 AromaticContact CZ-CG 3.93Å
543	I	98.8	Very high	96.9	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.5	176.6	-38.9	-173.9	0	0	0	108.4	V492 I528 L532 I533 M555 T559 A562 F566 I588	V492-I543 HydrophobicContact CB-CD1 4.48Å; V492-I543 HydrophobicContact CB-CG2 4.11Å; V492-I543 HydrophobicContact CG1-CD1 4.45Å; V492-I543 HydrophobicContact CG2-CG2 3.88Å; I528-I543 HydrophobicContact CG2-CG2 4.18Å; L532-I543 HydrophobicContact CB-CG2 3.85Å; L532-I543 HydrophobicContact CD2-CG2 4.4Å; I533-I543 HydrophobicContact CD1-CD1 4.39Å; I533-I543 HydrophobicContact CD1-CG1 4.28Å; I533-I543 HydrophobicContact CG1-CG1 4.12Å; I533-I543 HydrophobicContact CG1-CG2 4.27Å; I543-M555 WeakPolarHBondContact O-CB 3.27Å; I543-T559 HydrophobicContact CB-CG2 3.87Å; I543-T559 HydrophobicContact CD1-CG2 4.02Å; I543-T559 HydrophobicContact CG1-CG2 4.2Å; I543-A562 HydrophobicContact CD1-CB 3.79Å; I543-F566 HydrophobicContact CD1-CE2 4.01Å; I543-F566 HydrophobicContact CD1-CZ 4.15Å; I543-I588 HydrophobicContact CD1-CD1 4.19Å; I543-I588 HydrophobicContact CG1-CD1 3.76Å
544	A	98.4	Very high	96.8	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	28%	0.281	C	S	.	.			trans	-89	158.3	-179.7	0	0	0	0	0	112.9	L532 Y542 L551 E552	L532-A544 WeakPolarHBondContact CD2-O 3.26Å; L532-A544 WeakPolarHBondContact CG-O 3.47Å; L532-A544 PolarHBondContact O-N 2.72Å; Y542-A544 HydrophobicContact CE2-CB 4.32Å; A544-L551 HydrophobicContact CB-CD2 4.07Å; A544-E552 WeakPolarHBondContact CB-O 3.48Å
545	E	98.1	Very high	96.8	Very high	34 Å²	34	43.8 Å²	43.8	16%	0.159	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	142.6	164.6	-66.8	-178.5	-144.1	0	0	110	K547 L551 E552 K554	E545-K547 WeakPolarHBondContact OE2-CE 3.45Å; E545-K547 IonicContact OE2-NZ 3.07Å; E545-K547 PolarHBondContact OE2-NZ 3.04Å; E545-L551 WeakPolarHBondContact O-CA 3.35Å; E545-E552 HydrophobicContact CB-CB 4.37Å; E545-E552 PolarHBondContact N-O 3.07Å; E545-E552 PolarHBondContact O-N 3.35Å; E545-K554 PolarHBondContact N-O 2.85Å; E545-K554 VanDerWaalsContact OE1-CD 3.32Å; E545-K554 WeakPolarHBondContact OE1-CD 3.36Å; E545-K554 VanDerWaalsContact OE1-CE 3.27Å; E545-K554 WeakPolarHBondContact OE1-CE 3.3Å; E545-K554 IonicContact OE1-NZ 3.81Å; E545-K554 PolarHBondContact OE1-NZ 2.93Å; E545-K554 VanDerWaalsContact OE1-NZ 3.1Å
546	W	97.9	Very high	96.8	Very high	23 Å²	23	38.7 Å²	38.7	9%	0.087	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.4	177.1	-179.2	97.5	0	0	0	111.6	L473 H488 H489 V490 L532 G549 L550 L551	L473-W546 HydrophobicContact CD1-CD2 3.96Å; L473-W546 HydrophobicContact CD1-CE3 4.19Å; L473-W546 HydrophobicContact CD1-CG 4.2Å; H488-W546 HydrophobicContact CB-CZ3 4.06Å; H488-W546 VanDerWaalsContact O-CZ3 3.32Å; H488-W546 WeakPolarHBondContact O-CZ3 3.39Å; H489-W546 WeakPolarHBondContact CA-O 3.32Å; V490-W546 HydrophobicContact CB-CB 4.34Å; V490-W546 HydrophobicContact CB-CE3 4.03Å; V490-W546 HydrophobicContact CG2-CE3 3.58Å; V490-W546 HydrophobicContact CG2-CZ3 3.91Å; V490-W546 PolarHBondContact N-O 2.81Å; V490-W546 PolarHBondContact O-N 3.31Å; L532-W546 HydrophobicContact CD1-CB 3.78Å; L532-W546 HydrophobicContact CD1-CG 4.31Å; L532-W546 HydrophobicContact CG-CB 4.12Å; W546-G549 VanDerWaalsContact CE2-N 3.27Å; W546-L550 CarbonylContact C-O 3.47Å; W546-L550 WeakPolarHBondContact CA-O 3.5Å; W546-L551 HydrophobicContact CB-CD2 3.84Å; W546-L551 HydrophobicContact CG-CD2 4.2Å
547	K	95.6	Very high	96.9	Very high	66 Å²	66	37.9 Å²	37.9	29%	0.287	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	99	-172.2	-66.4	168.8	-172.7	166.7	0	109.8	H489 E545 G549 L550 E552	H489-K547 HydrophobicContact CB-CG 4.48Å; E545-K547 WeakPolarHBondContact OE2-CE 3.45Å; E545-K547 IonicContact OE2-NZ 3.07Å; E545-K547 PolarHBondContact OE2-NZ 3.04Å; K547-G549 PolarHBondContact O-N 2.9Å; K547-G549 VanDerWaalsContact O-N 3.09Å; K547-L550 PolarHBondContact N-O 3.36Å; K547-L550 PolarHBondContact O-N 3.34Å; K547-E552 IonicContact NZ-OE2 3.74Å; K547-E552 PolarHBondContact NZ-OE2 3.34Å
548	G	89.3	Confident	97	Very high	62 Å²	62	34.1 Å²	34.1	64%	0.639	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	22.9	173.2	0	0	0	0	0	115.8	H488	H488-G548 PolarHBondContact O-N 3.3Å
549	G	89.8	Confident	97.2	Very high	53 Å²	53	31 Å²	31	55%	0.546	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	117.3	-24.5	-175.8	0	0	0	0	0	114.1	W546 K547	W546-G549 VanDerWaalsContact CE2-N 3.27Å; K547-G549 PolarHBondContact O-N 2.9Å; K547-G549 VanDerWaalsContact O-N 3.09Å
550	L	96.6	Very high	97.3	Very high	131 Å²	131	29.9 Å²	29.9	69%	0.686	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	141.3	-178.7	-175.6	62.9	0	0	0	111.6	W546 K547	W546-L550 CarbonylContact C-O 3.47Å; W546-L550 WeakPolarHBondContact CA-O 3.5Å; K547-L550 PolarHBondContact N-O 3.36Å; K547-L550 PolarHBondContact O-N 3.34Å
551	L	97.8	Very high	97.3	Very high	34 Å²	34	30.1 Å²	30.1	18%	0.178	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	135.9	169.9	-68.5	175.6	0	0	0	111.3	H531 R534 A544 E545 W546	H531-L551 WeakPolarHBondContact O-CD2 3.45Å; R534-L551 HydrophobicContact CG-CD1 4.23Å; A544-L551 HydrophobicContact CB-CD2 4.07Å; E545-L551 WeakPolarHBondContact O-CA 3.35Å; W546-L551 HydrophobicContact CB-CD2 3.84Å; W546-L551 HydrophobicContact CG-CD2 4.2Å
552	E	97.6	Very high	97.3	Very high	41 Å²	41	29.5 Å²	29.5	19%	0.192	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.5	161.2	-175	171.6	-180	0	0	108	A544 E545 K547 K554 R609 R620	A544-E552 WeakPolarHBondContact CB-O 3.48Å; E545-E552 HydrophobicContact CB-CB 4.37Å; E545-E552 PolarHBondContact N-O 3.07Å; E545-E552 PolarHBondContact O-N 3.35Å; K547-E552 IonicContact NZ-OE2 3.74Å; K547-E552 PolarHBondContact NZ-OE2 3.34Å; E552-K554 HydrophobicContact CG-CB 4.15Å; E552-K554 PolarHBondContact O-N 3.36Å; E552-R609 IonicContact OE1-CZ 3.18Å; E552-R609 IonicContact OE1-NH1 3.21Å; E552-R609 PolarHBondContact OE1-NH1 3.14Å; E552-R609 IonicContact OE1-NH2 2.61Å; E552-R609 PolarHBondContact OE1-NH2 3.16Å; E552-R620 IonicContact OE1-CZ 3.87Å; E552-R620 IonicContact OE1-NH1 2.81Å; E552-R620 IonicContact OE1-NH2 3.23Å; E552-R620 PolarHBondContact OE1-NH2 2.9Å
553	H	97.9	Very high	97.3	Very high	63 Å²	63	29.1 Å²	29.1	29%	0.292	17%	0.174	S	C	.	.			trans	-79.8	57.9	-171.6	-73.6	-107.5	0	0	0	112	Y542 R609 F610 D611	Y542-H553 AromaticContact CZ-ND1 3.84Å; Y542-H553 PolarHBondContact OH-ND1 3.18Å; H553-R609 WeakPolarHBondContact O-CA 3.35Å; H553-F610 PolarHBondContact O-N 2.81Å; H553-D611 HydrophobicContact CB-CB 3.99Å
554	K	97.6	Very high	97.3	Very high	33 Å²	33	29 Å²	29	14%	0.143	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.5	-176.4	173.7	-171.5	163.3	-166.5	0	108.7	E545 E552 A607 F608 R609 E623	E545-K554 PolarHBondContact N-O 2.85Å; E545-K554 VanDerWaalsContact OE1-CD 3.32Å; E545-K554 WeakPolarHBondContact OE1-CD 3.36Å; E545-K554 VanDerWaalsContact OE1-CE 3.27Å; E545-K554 WeakPolarHBondContact OE1-CE 3.3Å; E545-K554 IonicContact OE1-NZ 3.81Å; E545-K554 PolarHBondContact OE1-NZ 2.93Å; E545-K554 VanDerWaalsContact OE1-NZ 3.1Å; E552-K554 HydrophobicContact CG-CB 4.15Å; E552-K554 PolarHBondContact O-N 3.36Å; K554-A607 HydrophobicContact CD-CB 4.28Å; K554-A607 HydrophobicContact CG-CB 4.2Å; K554-F608 WeakPolarHBondContact CA-O 3.16Å; K554-R609 HydrophobicContact CB-CG 4.27Å; K554-E623 WeakPolarHBondContact CE-OE1 3.35Å; K554-E623 IonicContact NZ-OE1 3.63Å; K554-E623 PolarHBondContact NZ-OE1 3.41Å
555	M	98.6	Very high	97.4	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144	172.5	-175.7	175.1	165.4	0	0	108.8	I543 T559 I588 T591 A607 F608 F610	I543-M555 WeakPolarHBondContact O-CB 3.27Å; M555-T559 HydrophobicContact CE-CG2 3.95Å; M555-T559 HydrophobicContact CG-CG2 3.8Å; M555-T559 HydrophobicContact SD-CG2 4.49Å; M555-I588 HydrophobicContact CE-CG2 4.11Å; M555-T591 HydrophobicContact SD-CG2 4.47Å; M555-A607 WeakPolarHBondContact O-CA 3.36Å; M555-A607 WeakPolarHBondContact O-CB 3.27Å; M555-F608 HydrophobicContact CB-CD2 4.14Å; M555-F608 HydrophobicContact CB-CE2 3.66Å; M555-F608 HydrophobicContact CB-CZ 4.08Å; M555-F608 HydrophobicContact CE-CZ 4.25Å; M555-F608 HydrophobicContact CG-CE2 3.85Å; M555-F608 HydrophobicContact CG-CZ 3.86Å; M555-F608 PolarHBondContact N-O 3.46Å; M555-F608 PolarHBondContact O-N 3.35Å; M555-F608 HydrophobicContact SD-CE2 3.78Å; M555-F608 HydrophobicContact SD-CZ 3.97Å; M555-F610 HydrophobicContact CB-CE2 4.01Å
556	G	98.4	Very high	97.4	Very high	14 Å²	14	27.7 Å²	27.7	14%	0.144	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	161.5	177.2	0	0	0	0	0	112.7	L558 T559 E606	G556-L558 VanDerWaalsContact C-N 3.32Å; G556-T559 PolarHBondContact N-OG1 2.66Å; G556-T559 VanDerWaalsContact O-CB 3.29Å; G556-T559 WeakPolarHBondContact O-CB 3.29Å; G556-T559 PolarHBondContact O-N 2.89Å; G556-E606 CarbonylContact C-O 3.51Å; G556-E606 WeakPolarHBondContact CA-O 3.31Å
557	H	98.9	Very high	97.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-60	-45.1	167	-165	-66.1	0	0	0	110.7	T559 C560 Y596 E606 Y626 R629 E631	H557-T559 PolarHBondContact O-N 2.79Å; H557-C560 WeakPolarHBondContact O-CB 3.48Å; H557-C560 PolarHBondContact O-N 2.76Å; H557-Y596 AromaticContact NE2-CE2 3.36Å; H557-Y596 WeakPolarHBondContact NE2-CE2 3.25Å; H557-Y596 AromaticContact NE2-CZ 3.61Å; H557-Y596 PolarHBondContact NE2-OH 2.81Å; H557-Y596 VanDerWaalsContact NE2-OH 3.08Å; H557-E606 PolarHBondContact N-O 3.15Å; H557-Y626 AromaticContact NE2-CD2 3.73Å; H557-Y626 AromaticContact NE2-CE2 3.49Å; H557-Y626 WeakPolarHBondContact NE2-CE2 3.43Å; H557-R629 VanDerWaalsContact CE1-CB 3.45Å; H557-R629 WeakPolarHBondContact CE1-CB 3.46Å; H557-E631 IonicContact CE1-OE2 2.77Å; H557-E631 PolarHBondContact CE1-OE2 3.07Å; H557-E631 VanDerWaalsContact CE1-OE2 3.27Å; H557-E631 IonicContact CG-OE2 2.68Å; H557-E631 IonicContact ND1-OE2 3.14Å; H557-E631 PolarHBondContact ND1-OE2 2.74Å
558	L	98.4	Very high	97.6	Very high	43 Å²	43	24.7 Å²	24.7	23%	0.225	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-45	-49.2	168.6	-78.7	160.7	0	0	0	112	G556 C560 F561 E631	G556-L558 VanDerWaalsContact C-N 3.32Å; L558-C560 PolarHBondContact O-N 3.01Å; L558-F561 WeakPolarHBondContact O-CD1 3.41Å; L558-F561 PolarHBondContact O-N 3.17Å; L558-E631 WeakPolarHBondContact CD2-OE1 3.48Å
559	T	98.9	Very high	98	Very high	4 Å²	4	21.7 Å²	21.7	3%	0.025	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-59.9	-14.5	-178.5	-43.3	0	0	0	0	113.9	V492 G493 I543 M555 G556 H557 F561 A562	V492-T559 HydrophobicContact CB-CG2 4.31Å; V492-T559 WeakPolarHBondContact O-CA 3.38Å; V492-T559 WeakPolarHBondContact O-CG2 3.24Å; G493-T559 WeakPolarHBondContact CA-OG1 3.39Å; G493-T559 PolarHBondContact N-OG1 3.17Å; I543-T559 HydrophobicContact CB-CG2 3.87Å; I543-T559 HydrophobicContact CD1-CG2 4.02Å; I543-T559 HydrophobicContact CG1-CG2 4.2Å; M555-T559 HydrophobicContact CE-CG2 3.95Å; M555-T559 HydrophobicContact CG-CG2 3.8Å; M555-T559 HydrophobicContact SD-CG2 4.49Å; G556-T559 PolarHBondContact N-OG1 2.66Å; G556-T559 VanDerWaalsContact O-CB 3.29Å; G556-T559 WeakPolarHBondContact O-CB 3.29Å; G556-T559 PolarHBondContact O-N 2.89Å; H557-T559 PolarHBondContact O-N 2.79Å; T559-F561 VanDerWaalsContact C-N 3.26Å; T559-F561 PolarHBondContact O-N 3.41Å; T559-A562 WeakPolarHBondContact O-CB 3.38Å; T559-A562 PolarHBondContact O-N 2.81Å
560	C	98.9	Very high	98.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-69.2	-18.9	174.6	-68.7	0	0	0	0	114.1	H557 L558 A562 G563 C592 V632 T635	H557-C560 WeakPolarHBondContact O-CB 3.48Å; H557-C560 PolarHBondContact O-N 2.76Å; L558-C560 PolarHBondContact O-N 3.01Å; C560-A562 PolarHBondContact O-N 2.8Å; C560-A562 VanDerWaalsContact O-N 3.15Å; C560-G563 PolarHBondContact O-N 2.88Å; C560-C592 VanDerWaalsContact CA-SG 3.53Å; C560-C592 HydrophobicContact CB-CB 3.86Å; C560-C592 WeakPolarHBondContact CB-SG 3.35Å; C560-C592 WeakPolarHBondContact SG-CB 3.4Å; C560-C592 CovalentContact SG-SG 2.03Å; C560-C592 PolarHBondContact SG-SG 2.84Å; C560-V632 HydrophobicContact CB-CG2 3.52Å; C560-T635 PolarHBondContact O-OG1 3.32Å
561	F	98.9	Very high	98.3	Very high	5 Å²	5	19.2 Å²	19.2	2%	0.022	10%	0.101	C	C	.	.	H	α-helix	trans	-55.1	-31.4	172	97.4	-84.8	0	0	0	111.7	V492 D497 E501 L558 T559 G563 G564 M565 E631 T635	V492-F561 HydrophobicContact CG1-CE1 4.09Å; V492-F561 HydrophobicContact CG1-CZ 4.36Å; V492-F561 WeakPolarHBondContact O-CE1 3.49Å; D497-F561 HydrophobicContact CB-CD1 4.01Å; D497-F561 HydrophobicContact CB-CE1 3.55Å; D497-F561 HydrophobicContact CB-CZ 4.3Å; D497-F561 WeakPolarHBondContact O-CZ 3.41Å; E501-F561 HydrophobicContact CB-CD2 4.31Å; E501-F561 HydrophobicContact CB-CE2 3.57Å; E501-F561 HydrophobicContact CB-CZ 4.24Å; E501-F561 HydrophobicContact CG-CD2 4.08Å; E501-F561 HydrophobicContact CG-CE2 3.79Å; L558-F561 WeakPolarHBondContact O-CD1 3.41Å; L558-F561 PolarHBondContact O-N 3.17Å; T559-F561 VanDerWaalsContact C-N 3.26Å; T559-F561 PolarHBondContact O-N 3.41Å; F561-G563 PolarHBondContact O-N 3.02Å; F561-G563 VanDerWaalsContact O-N 3.1Å; F561-G564 PolarHBondContact O-N 2.93Å; F561-G564 VanDerWaalsContact O-N 3.14Å; F561-M565 HydrophobicContact CD2-CB 4.1Å; F561-M565 HydrophobicContact CE2-CB 3.76Å; F561-M565 HydrophobicContact CE2-CE 4.27Å; F561-M565 HydrophobicContact CE2-CG 4.02Å; F561-M565 HydrophobicContact CE2-SD 3.49Å; F561-M565 WeakPolarHBondContact CE2-SD 3.35Å; F561-M565 HydrophobicContact CZ-CE 4.12Å; F561-M565 HydrophobicContact CZ-SD 3.73Å; F561-M565 PolarHBondContact O-N 3.49Å; F561-E631 HydrophobicContact CB-CB 3.95Å; F561-E631 HydrophobicContact CB-CG 4.36Å; F561-T635 PolarHBondContact O-OG1 2.9Å
562	A	98.9	Very high	98.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.1	-25.2	-174.1	0	0	0	0	0	113	V492 I543 T559 C560 M565 F566	V492-A562 HydrophobicContact CG1-CB 4.37Å; I543-A562 HydrophobicContact CD1-CB 3.79Å; T559-A562 WeakPolarHBondContact O-CB 3.38Å; T559-A562 PolarHBondContact O-N 2.81Å; C560-A562 PolarHBondContact O-N 2.8Å; C560-A562 VanDerWaalsContact O-N 3.15Å; A562-M565 HydrophobicContact CB-CE 4.25Å; A562-M565 PolarHBondContact O-N 3.32Å; A562-F566 HydrophobicContact CB-CD2 4.48Å; A562-F566 HydrophobicContact CB-CE2 3.96Å; A562-F566 HydrophobicContact CB-CZ 4.26Å; A562-F566 WeakPolarHBondContact O-CD2 3.43Å; A562-F566 WeakPolarHBondContact O-CG 3.44Å; A562-F566 PolarHBondContact O-N 2.63Å
563	G	98.9	Very high	98	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.1	-49.6	175.5	0	0	0	0	0	112.3	C560 F561 A567 G585	C560-G563 PolarHBondContact O-N 2.88Å; F561-G563 PolarHBondContact O-N 3.02Å; F561-G563 VanDerWaalsContact O-N 3.1Å; G563-A567 PolarHBondContact O-N 3.15Å; G563-A567 VanDerWaalsContact O-N 3.17Å; G563-G585 VanDerWaalsContact O-CA 3.28Å; G563-G585 WeakPolarHBondContact O-CA 3.33Å
564	G	98.9	Very high	97.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.7	-40.3	173	0	0	0	0	0	112.4	F561 F566 A567 L568 T635	F561-G564 PolarHBondContact O-N 2.93Å; F561-G564 VanDerWaalsContact O-N 3.14Å; G564-F566 PolarHBondContact O-N 3.29Å; G564-A567 PolarHBondContact O-N 2.88Å; G564-L568 VanDerWaalsContact O-CB 3.24Å; G564-L568 WeakPolarHBondContact O-CB 3.39Å; G564-L568 PolarHBondContact O-N 2.95Å; G564-T635 PolarHBondContact N-OG1 3.48Å
565	M	98.9	Very high	97.4	Very high	7 Å²	7	25.1 Å²	25.1	3%	0.034	14%	0.138	C	C	.	.	H	α-helix	trans	-59	-47.1	175.5	-174.5	-168.5	61	0	0	112.4	E501 L504 Y521 F561 A562 G569	E501-M565 HydrophobicContact CB-SD 4.46Å; L504-M565 HydrophobicContact CD2-CG 4.02Å; L504-M565 WeakPolarHBondContact CD2-O 3.34Å; Y521-M565 HydrophobicContact CE2-CE 4.29Å; Y521-M565 HydrophobicContact CE2-CG 3.99Å; Y521-M565 HydrophobicContact CE2-SD 3.85Å; Y521-M565 PolarHBondContact OH-O 3.47Å; F561-M565 HydrophobicContact CD2-CB 4.1Å; F561-M565 HydrophobicContact CE2-CB 3.76Å; F561-M565 HydrophobicContact CE2-CE 4.27Å; F561-M565 HydrophobicContact CE2-CG 4.02Å; F561-M565 HydrophobicContact CE2-SD 3.49Å; F561-M565 WeakPolarHBondContact CE2-SD 3.35Å; F561-M565 HydrophobicContact CZ-CE 4.12Å; F561-M565 HydrophobicContact CZ-SD 3.73Å; F561-M565 PolarHBondContact O-N 3.49Å; A562-M565 HydrophobicContact CB-CE 4.25Å; A562-M565 PolarHBondContact O-N 3.32Å; M565-G569 PolarHBondContact O-N 3.39Å
566	F	98.9	Very high	97.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.6	-44.7	178	-62.9	-43.7	0	0	0	111.2	V525 I533 I543 A562 G564 L568 G569 A570 L584 I588	V525-F566 HydrophobicContact CG1-CD1 4.12Å; V525-F566 HydrophobicContact CG1-CE1 3.79Å; V525-F566 HydrophobicContact CG2-CD1 4.45Å; V525-F566 HydrophobicContact CG2-CE1 4.07Å; I533-F566 HydrophobicContact CD1-CE2 4.22Å; I533-F566 HydrophobicContact CD1-CZ 4.14Å; I543-F566 HydrophobicContact CD1-CE2 4.01Å; I543-F566 HydrophobicContact CD1-CZ 4.15Å; A562-F566 HydrophobicContact CB-CD2 4.48Å; A562-F566 HydrophobicContact CB-CE2 3.96Å; A562-F566 HydrophobicContact CB-CZ 4.26Å; A562-F566 WeakPolarHBondContact O-CD2 3.43Å; A562-F566 WeakPolarHBondContact O-CG 3.44Å; A562-F566 PolarHBondContact O-N 2.63Å; G564-F566 PolarHBondContact O-N 3.29Å; F566-L568 PolarHBondContact O-N 3.43Å; F566-G569 PolarHBondContact O-N 3.29Å; F566-G569 VanDerWaalsContact O-N 3.15Å; F566-A570 PolarHBondContact O-N 2.96Å; F566-L584 HydrophobicContact CD1-CD2 4.24Å; F566-L584 HydrophobicContact CD2-CD2 3.73Å; F566-L584 HydrophobicContact CD2-CG 3.7Å; F566-L584 HydrophobicContact CE1-CD2 4.34Å; F566-L584 HydrophobicContact CE2-CD2 3.82Å; F566-L584 HydrophobicContact CE2-CG 4Å; F566-L584 HydrophobicContact CG-CD2 3.96Å; F566-L584 HydrophobicContact CG-CG 4.25Å; F566-L584 HydrophobicContact CZ-CD2 4.15Å; F566-I588 HydrophobicContact CD2-CG1 4.33Å; F566-I588 HydrophobicContact CE2-CG1 4.18Å
567	A	98.8	Very high	97.1	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-44.6	178.7	0	0	0	0	0	112.4	G563 G564 G569 A570 L582 M639 L642	G563-A567 PolarHBondContact O-N 3.15Å; G563-A567 VanDerWaalsContact O-N 3.17Å; G564-A567 PolarHBondContact O-N 2.88Å; A567-G569 PolarHBondContact O-N 3.27Å; A567-A570 WeakPolarHBondContact O-CB 3.42Å; A567-A570 PolarHBondContact O-N 2.67Å; A567-A570 VanDerWaalsContact O-N 3.12Å; A567-L582 HydrophobicContact CB-CD2 4.12Å; A567-M639 HydrophobicContact CB-SD 3.48Å; A567-M639 WeakPolarHBondContact CB-SD 3.27Å; A567-L642 VanDerWaalsContact C-CD1 3.47Å; A567-L642 HydrophobicContact CB-CD1 3.76Å; A567-L642 WeakPolarHBondContact O-CD1 3.39Å
568	L	98.7	Very high	97	Very high	24 Å²	24	32.4 Å²	32.4	13%	0.126	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-31	175.1	-177.4	66	0	0	0	112.3	L504 L508 G564 F566 A570 Y638	L504-L568 HydrophobicContact CD2-CB 4.04Å; L504-L568 HydrophobicContact CD2-CD2 4.09Å; L504-L568 HydrophobicContact CD2-CG 4.04Å; L508-L568 HydrophobicContact CD1-CD1 4.09Å; L508-L568 HydrophobicContact CD1-CD2 3.94Å; L508-L568 HydrophobicContact CD1-CG 3.76Å; G564-L568 VanDerWaalsContact O-CB 3.24Å; G564-L568 WeakPolarHBondContact O-CB 3.39Å; G564-L568 PolarHBondContact O-N 2.95Å; F566-L568 PolarHBondContact O-N 3.43Å; L568-A570 VanDerWaalsContact C-N 3.31Å; L568-A570 PolarHBondContact O-N 2.79Å; L568-Y638 HydrophobicContact CB-CD1 4.26Å; L568-Y638 HydrophobicContact CB-CE1 4.44Å; L568-Y638 HydrophobicContact CD1-CD1 4.17Å; L568-Y638 HydrophobicContact CD1-CE1 3.98Å; L568-Y638 HydrophobicContact CD2-CD1 4.48Å; L568-Y638 HydrophobicContact CD2-CE1 3.84Å; L568-Y638 HydrophobicContact CG-CE1 4.31Å
569	G	98.3	Very high	97	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-72.6	-16.9	174.9	0	0	0	0	0	115	M565 F566 A567 D571 G572 A573	M565-G569 PolarHBondContact O-N 3.39Å; F566-G569 PolarHBondContact O-N 3.29Å; F566-G569 VanDerWaalsContact O-N 3.15Å; A567-G569 PolarHBondContact O-N 3.27Å; G569-D571 PolarHBondContact O-N 3.07Å; G569-G572 WeakPolarHBondContact O-CA 3.42Å; G569-G572 PolarHBondContact O-N 2.95Å; G569-A573 PolarHBondContact O-N 3.49Å
570	A	98.1	Very high	96.9	Very high	5 Å²	5	38.9 Å²	38.9	4%	0.041	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-61.6	-47.3	-168.2	0	0	0	0	0	114.5	F566 A567 L568 G572 A573 A578 L582	F566-A570 PolarHBondContact O-N 2.96Å; A567-A570 WeakPolarHBondContact O-CB 3.42Å; A567-A570 PolarHBondContact O-N 2.67Å; A567-A570 VanDerWaalsContact O-N 3.12Å; L568-A570 VanDerWaalsContact C-N 3.31Å; L568-A570 PolarHBondContact O-N 2.79Å; A570-G572 PolarHBondContact O-N 3.33Å; A570-A573 WeakPolarHBondContact O-CB 3.31Å; A570-A573 PolarHBondContact O-N 3.41Å; A570-A573 VanDerWaalsContact O-N 3.07Å; A570-A578 WeakPolarHBondContact CB-O 3.45Å; A570-A578 WeakPolarHBondContact O-CA 3.43Å; A570-A578 WeakPolarHBondContact O-CB 3.36Å; A570-L582 HydrophobicContact CB-CD2 3.92Å; A570-L582 HydrophobicContact CB-CG 3.72Å
571	D	94.4	Very high	96.9	Very high	127 Å²	127	39.1 Å²	39.1	68%	0.679	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-61.2	-26.8	176.1	168.6	80	0	0	0	112.3	K512 G569	K512-D571 IonicContact NZ-OD2 3.79Å; K512-D571 PolarHBondContact NZ-OD2 2.96Å; G569-D571 PolarHBondContact O-N 3.07Å
572	G	93.8	Very high	96.9	Very high	3 Å²	3	40.9 Å²	40.9	3%	0.031	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-85	-5.6	176.6	0	0	0	0	0	115.8	K518 F522 G569 A570	K518-G572 WeakPolarHBondContact CE-O 3.32Å; K518-G572 PolarHBondContact NZ-O 2.85Å; F522-G572 WeakPolarHBondContact CE2-O 3.18Å; G569-G572 WeakPolarHBondContact O-CA 3.42Å; G569-G572 PolarHBondContact O-N 2.95Å; A570-G572 PolarHBondContact O-N 3.33Å
573	A	94.4	Very high	96.9	Very high	17 Å²	17	46 Å²	46	14%	0.14	26%	0.259	C	S	.	.	S	Bend	trans	-66.5	165.9	-167.8	0	0	0	0	0	114.1	F522 G569 A570 M577 Y581	F522-A573 HydrophobicContact CE1-CB 4.14Å; F522-A573 HydrophobicContact CZ-CB 4.32Å; G569-A573 PolarHBondContact O-N 3.49Å; A570-A573 WeakPolarHBondContact O-CB 3.31Å; A570-A573 PolarHBondContact O-N 3.41Å; A570-A573 VanDerWaalsContact O-N 3.07Å; A573-M577 HydrophobicContact CB-CB 3.92Å; A573-Y581 HydrophobicContact CB-CD2 3.7Å; A573-Y581 HydrophobicContact CB-CE2 4.01Å
574	P	91.8	Very high	96.9	Very high	69 Å²	69	46.8 Å²	46.8	45%	0.448	26%	0.263	S	S	.	.	S	Bend	trans	-55.5	158.4	162.7	-24.1	35	0	0	0	112.3	G576 M577	P574-G576 PolarHBondContact O-N 3.3Å; P574-M577 HydrophobicContact CB-CB 4.42Å; P574-M577 HydrophobicContact CB-CG 4.09Å; P574-M577 HydrophobicContact CG-CG 4.48Å; P574-M577 WeakPolarHBondContact O-CB 2.99Å; P574-M577 PolarHBondContact O-N 3.24Å
575	E	91.6	Very high	96.9	Very high	205 Å²	205	46.8 Å²	46.8	96%	0.958	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	129.5	-179.8	-170.2	174.3	-179.8	0	0	111.5	M577	E575-M577 VanDerWaalsContact C-N 3.29Å; E575-M577 PolarHBondContact O-N 3.18Å
576	G	93.6	Very high	96.9	Very high	72 Å²	72	47.6 Å²	47.6	74%	0.742	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-17.6	-175.2	0	0	0	0	0	116.1	P574	P574-G576 PolarHBondContact O-N 3.3Å
577	M	96.6	Very high	96.9	Very high	56 Å²	56	49.7 Å²	49.7	28%	0.276	28%	0.28	S	S	.	.			trans	-86.6	-9.3	-172.6	-65.6	-62.6	-68.4	0	0	115.1	A573 P574 E575 Q579 H580 Y581	A573-M577 HydrophobicContact CB-CB 3.92Å; P574-M577 HydrophobicContact CB-CB 4.42Å; P574-M577 HydrophobicContact CB-CG 4.09Å; P574-M577 HydrophobicContact CG-CG 4.48Å; P574-M577 WeakPolarHBondContact O-CB 2.99Å; P574-M577 PolarHBondContact O-N 3.24Å; E575-M577 VanDerWaalsContact C-N 3.29Å; E575-M577 PolarHBondContact O-N 3.18Å; M577-Q579 PolarHBondContact O-N 3.2Å; M577-H580 HydrophobicContact CE-CB 4.24Å; M577-H580 VanDerWaalsContact CE-CD2 3.44Å; M577-H580 WeakPolarHBondContact CE-CD2 3.4Å; M577-H580 WeakPolarHBondContact O-CB 3.46Å; M577-H580 PolarHBondContact O-N 2.99Å; M577-Y581 HydrophobicContact CB-CD2 4.22Å; M577-Y581 HydrophobicContact CB-CE2 3.95Å; M577-Y581 HydrophobicContact CE-CE2 4.29Å; M577-Y581 VanDerWaalsContact O-CD2 3.29Å; M577-Y581 WeakPolarHBondContact O-CD2 3.36Å; M577-Y581 PolarHBondContact O-N 3.36Å; M577-Y581 VanDerWaalsContact O-N 3.12Å
578	A	97.2	Very high	96.9	Very high	41 Å²	41	49.6 Å²	49.6	34%	0.339	28%	0.279	S	S	.	.	H	α-helix	trans	-58.1	-47.3	-178.7	0	0	0	0	0	112.8	A570 H580 Y581 L582	A570-A578 WeakPolarHBondContact CB-O 3.45Å; A570-A578 WeakPolarHBondContact O-CA 3.43Å; A570-A578 WeakPolarHBondContact O-CB 3.36Å; A578-H580 VanDerWaalsContact C-N 3.34Å; A578-H580 PolarHBondContact O-N 2.94Å; A578-Y581 PolarHBondContact O-N 3.31Å; A578-L582 PolarHBondContact O-N 3.46Å; A578-L582 VanDerWaalsContact O-N 3.12Å
579	Q	97.9	Very high	96.9	Very high	113 Å²	113	48.5 Å²	48.5	53%	0.528	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-38.9	178.9	-177.5	61.2	24.6	0	0	112	M577 Y581 L582 E583	M577-Q579 PolarHBondContact O-N 3.2Å; Q579-Y581 VanDerWaalsContact C-N 3.34Å; Q579-Y581 PolarHBondContact O-N 3.16Å; Q579-L582 PolarHBondContact O-N 2.84Å; Q579-E583 WeakPolarHBondContact CG-OE1 3.31Å; Q579-E583 PolarHBondContact NE2-OE1 3.24Å; Q579-E583 WeakPolarHBondContact O-CB 3.34Å; Q579-E583 WeakPolarHBondContact O-CG 3.46Å; Q579-E583 PolarHBondContact O-N 3.4Å
580	H	98.3	Very high	96.9	Very high	71 Å²	71	52 Å²	52	33%	0.329	29%	0.287	S	S	.	.	H	α-helix	trans	-58.9	-43.1	175.7	170.5	89	0	0	0	111.8	E529 M577 A578 E583 L584	E529-H580 IonicContact OE1-NE2 2.7Å; E529-H580 PolarHBondContact OE1-NE2 3.17Å; E529-H580 IonicContact OE2-CD2 3.28Å; E529-H580 IonicContact OE2-CE1 3.71Å; E529-H580 PolarHBondContact OE2-CE1 2.95Å; E529-H580 VanDerWaalsContact OE2-CE1 3.26Å; E529-H580 IonicContact OE2-NE2 2.72Å; E529-H580 PolarHBondContact OE2-NE2 3.45Å; M577-H580 HydrophobicContact CE-CB 4.24Å; M577-H580 VanDerWaalsContact CE-CD2 3.44Å; M577-H580 WeakPolarHBondContact CE-CD2 3.4Å; M577-H580 WeakPolarHBondContact O-CB 3.46Å; M577-H580 PolarHBondContact O-N 2.99Å; A578-H580 VanDerWaalsContact C-N 3.34Å; A578-H580 PolarHBondContact O-N 2.94Å; H580-E583 PolarHBondContact O-N 3.46Å; H580-L584 WeakPolarHBondContact O-CB 3.38Å; H580-L584 PolarHBondContact O-N 3.46Å
581	Y	98.7	Very high	97	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.02	29%	0.285	C	S	.	.	H	α-helix	trans	-72.9	-31.7	178.3	-72.2	-54.8	0	0	0	114.1	F522 V525 E529 A573 M577 A578 Q579 L584 G585	F522-Y581 HydrophobicContact CD1-CE2 4.09Å; F522-Y581 HydrophobicContact CE1-CD2 4.3Å; F522-Y581 AromaticContact CE1-CE2 3.85Å; F522-Y581 HydrophobicContact CE1-CE2 3.85Å; V525-Y581 HydrophobicContact CG1-CD1 4.44Å; V525-Y581 HydrophobicContact CG1-CE1 3.51Å; E529-Y581 VanDerWaalsContact OE1-CE1 3.24Å; E529-Y581 WeakPolarHBondContact OE1-CE1 3.39Å; E529-Y581 PolarHBondContact OE1-OH 3Å; E529-Y581 VanDerWaalsContact OE1-OH 3.13Å; A573-Y581 HydrophobicContact CB-CD2 3.7Å; A573-Y581 HydrophobicContact CB-CE2 4.01Å; M577-Y581 HydrophobicContact CB-CD2 4.22Å; M577-Y581 HydrophobicContact CB-CE2 3.95Å; M577-Y581 HydrophobicContact CE-CE2 4.29Å; M577-Y581 VanDerWaalsContact O-CD2 3.29Å; M577-Y581 WeakPolarHBondContact O-CD2 3.36Å; M577-Y581 PolarHBondContact O-N 3.36Å; M577-Y581 VanDerWaalsContact O-N 3.12Å; A578-Y581 PolarHBondContact O-N 3.31Å; Q579-Y581 VanDerWaalsContact C-N 3.34Å; Q579-Y581 PolarHBondContact O-N 3.16Å; Y581-L584 HydrophobicContact CD1-CD2 4.28Å; Y581-L584 HydrophobicContact CE1-CD2 4.47Å; Y581-G585 PolarHBondContact O-N 3.5Å
582	L	98.5	Very high	97.2	Very high	41 Å²	41	45.7 Å²	45.7	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-66	-40.7	169.1	-69.5	173.7	0	0	0	111.9	A567 A570 A578 Q579 G585 A586 L642	A567-L582 HydrophobicContact CB-CD2 4.12Å; A570-L582 HydrophobicContact CB-CD2 3.92Å; A570-L582 HydrophobicContact CB-CG 3.72Å; A578-L582 PolarHBondContact O-N 3.46Å; A578-L582 VanDerWaalsContact O-N 3.12Å; Q579-L582 PolarHBondContact O-N 2.84Å; L582-G585 PolarHBondContact O-N 3.49Å; L582-A586 WeakPolarHBondContact O-CB 3.33Å; L582-A586 PolarHBondContact O-N 3.18Å; L582-L642 HydrophobicContact CD2-CB 4.25Å
583	E	98.8	Very high	97.4	Very high	109 Å²	109	46.6 Å²	46.6	51%	0.509	26%	0.256	S	S	.	.	H	α-helix	trans	-68.8	-40.5	176.7	-74.8	177.2	-162.7	0	0	112.1	Q579 H580 A586 E587	Q579-E583 WeakPolarHBondContact CG-OE1 3.31Å; Q579-E583 PolarHBondContact NE2-OE1 3.24Å; Q579-E583 WeakPolarHBondContact O-CB 3.34Å; Q579-E583 WeakPolarHBondContact O-CG 3.46Å; Q579-E583 PolarHBondContact O-N 3.4Å; H580-E583 PolarHBondContact O-N 3.46Å; E583-A586 PolarHBondContact O-N 2.69Å; E583-E587 WeakPolarHBondContact O-CB 3.47Å; E583-E587 WeakPolarHBondContact O-CG 3.13Å; E583-E587 PolarHBondContact O-N 3.25Å
584	L	98.8	Very high	97.6	Very high	16 Å²	16	47.8 Å²	47.8	8%	0.084	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-43.8	173	-175.7	61.3	0	0	0	111.4	E529 I533 T541 F566 H580 Y581 A586 E587 I588	E529-L584 HydrophobicContact CG-CD2 4.12Å; I533-L584 HydrophobicContact CD1-CD1 3.97Å; I533-L584 HydrophobicContact CD1-CD2 4.05Å; I533-L584 HydrophobicContact CG2-CD1 4.49Å; T541-L584 HydrophobicContact CG2-CD1 4.27Å; F566-L584 HydrophobicContact CD1-CD2 4.24Å; F566-L584 HydrophobicContact CD2-CD2 3.73Å; F566-L584 HydrophobicContact CD2-CG 3.7Å; F566-L584 HydrophobicContact CE1-CD2 4.34Å; F566-L584 HydrophobicContact CE2-CD2 3.82Å; F566-L584 HydrophobicContact CE2-CG 4Å; F566-L584 HydrophobicContact CG-CD2 3.96Å; F566-L584 HydrophobicContact CG-CG 4.25Å; F566-L584 HydrophobicContact CZ-CD2 4.15Å; H580-L584 WeakPolarHBondContact O-CB 3.38Å; H580-L584 PolarHBondContact O-N 3.46Å; Y581-L584 HydrophobicContact CD1-CD2 4.28Å; Y581-L584 HydrophobicContact CE1-CD2 4.47Å; L584-A586 PolarHBondContact O-N 3.34Å; L584-E587 PolarHBondContact O-N 3.29Å; L584-I588 WeakPolarHBondContact O-CG1 3.47Å; L584-I588 PolarHBondContact O-N 3.39Å
585	G	98.8	Very high	98	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-45.3	173.2	0	0	0	0	0	112.5	G563 Y581 L582 E587 I588 A589	G563-G585 VanDerWaalsContact O-CA 3.28Å; G563-G585 WeakPolarHBondContact O-CA 3.33Å; Y581-G585 PolarHBondContact O-N 3.5Å; L582-G585 PolarHBondContact O-N 3.49Å; G585-E587 PolarHBondContact O-N 2.89Å; G585-I588 PolarHBondContact O-N 2.73Å; G585-A589 VanDerWaalsContact O-CB 3.31Å; G585-A589 WeakPolarHBondContact O-CB 3.42Å; G585-A589 PolarHBondContact O-N 3.41Å
586	A	98.9	Very high	98.3	Very high	24 Å²	24	35 Å²	35	20%	0.198	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-37.9	176.4	0	0	0	0	0	113.2	L582 E583 L584 R590 M639 Y648	L582-A586 WeakPolarHBondContact O-CB 3.33Å; L582-A586 PolarHBondContact O-N 3.18Å; E583-A586 PolarHBondContact O-N 2.69Å; L584-A586 PolarHBondContact O-N 3.34Å; A586-R590 WeakPolarHBondContact O-CB 3.12Å; A586-R590 PolarHBondContact O-N 2.75Å; A586-M639 HydrophobicContact CB-CE 3.77Å; A586-Y648 WeakPolarHBondContact CB-OH 3.32Å
587	E	98.9	Very high	98.6	Very high	44 Å²	44	34.5 Å²	34.5	21%	0.206	17%	0.173	C	C	.	.	H	α-helix	trans	-69.8	-41.5	177.7	-83.6	-73.9	91.3	0	0	112.7	K535 T541 E583 L584 G585 R590 T591	K535-E587 IonicContact NZ-OE2 2.66Å; K535-E587 PolarHBondContact NZ-OE2 2.82Å; T541-E587 HydrophobicContact CG2-CB 4.46Å; T541-E587 PolarHBondContact OG1-OE2 2.92Å; E583-E587 WeakPolarHBondContact O-CB 3.47Å; E583-E587 WeakPolarHBondContact O-CG 3.13Å; E583-E587 PolarHBondContact O-N 3.25Å; L584-E587 PolarHBondContact O-N 3.29Å; G585-E587 PolarHBondContact O-N 2.89Å; E587-R590 PolarHBondContact O-N 2.67Å; E587-R590 IonicContact OE1-CZ 3.57Å; E587-R590 IonicContact OE1-NE 3.65Å; E587-R590 PolarHBondContact OE1-NE 3.05Å; E587-R590 IonicContact OE1-NH2 3.9Å; E587-R590 PolarHBondContact OE1-NH2 2.79Å; E587-R590 IonicContact OE2-CZ 2.66Å; E587-R590 IonicContact OE2-NH2 2.69Å; E587-R590 PolarHBondContact OE2-NH2 2.9Å; E587-T591 PolarHBondContact O-N 3.49Å; E587-T591 PolarHBondContact O-OG1 3.11Å
588	I	98.9	Very high	98.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.5	-45.2	172.1	-66.4	-60.5	0	0	0	110.4	I543 M555 F566 L584 G585 R590 T591 C592	I543-I588 HydrophobicContact CD1-CD1 4.19Å; I543-I588 HydrophobicContact CG1-CD1 3.76Å; M555-I588 HydrophobicContact CE-CG2 4.11Å; F566-I588 HydrophobicContact CD2-CG1 4.33Å; F566-I588 HydrophobicContact CE2-CG1 4.18Å; L584-I588 WeakPolarHBondContact O-CG1 3.47Å; L584-I588 PolarHBondContact O-N 3.39Å; G585-I588 PolarHBondContact O-N 2.73Å; I588-R590 VanDerWaalsContact C-N 3.28Å; I588-R590 PolarHBondContact O-N 3.04Å; I588-T591 PolarHBondContact O-N 3.24Å; I588-T591 VanDerWaalsContact O-N 3.12Å; I588-C592 PolarHBondContact O-N 2.88Å; I588-C592 PolarHBondContact O-SG 3.37Å; I588-C592 VanDerWaalsContact O-SG 3.41Å
589	A	98.9	Very high	98.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.1	-38.9	175.9	0	0	0	0	0	112.4	G585 C592 H593 T635 M639 Y648	G585-A589 VanDerWaalsContact O-CB 3.31Å; G585-A589 WeakPolarHBondContact O-CB 3.42Å; G585-A589 PolarHBondContact O-N 3.41Å; A589-C592 PolarHBondContact O-N 3.45Å; A589-H593 PolarHBondContact O-N 2.84Å; A589-T635 HydrophobicContact CB-CG2 3.49Å; A589-T635 VanDerWaalsContact CB-CG2 3.49Å; A589-M639 HydrophobicContact CB-CG 4.12Å; A589-Y648 HydrophobicContact CB-CE1 3.86Å
590	R	98.9	Very high	98.8	Very high	74 Å²	74	33.7 Å²	33.7	28%	0.279	16%	0.157	S	C	.	.	H	α-helix	trans	-65.6	-42	174.5	-177.9	176.9	65.9	87.7	-1.3	112.3	G539 A586 E587 I588 C592 H593 E594 W651	G539-R590 PolarHBondContact O-NH2 3.18Å; A586-R590 WeakPolarHBondContact O-CB 3.12Å; A586-R590 PolarHBondContact O-N 2.75Å; E587-R590 PolarHBondContact O-N 2.67Å; E587-R590 IonicContact OE1-CZ 3.57Å; E587-R590 IonicContact OE1-NE 3.65Å; E587-R590 PolarHBondContact OE1-NE 3.05Å; E587-R590 IonicContact OE1-NH2 3.9Å; E587-R590 PolarHBondContact OE1-NH2 2.79Å; E587-R590 IonicContact OE2-CZ 2.66Å; E587-R590 IonicContact OE2-NH2 2.69Å; E587-R590 PolarHBondContact OE2-NH2 2.9Å; I588-R590 VanDerWaalsContact C-N 3.28Å; I588-R590 PolarHBondContact O-N 3.04Å; R590-C592 VanDerWaalsContact C-N 3.34Å; R590-H593 PolarHBondContact O-N 3.4Å; R590-E594 PolarHBondContact O-N 2.87Å; R590-W651 HydrophobicContact CB-CH2 4.32Å
591	T	98.9	Very high	98.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.2	-37.7	176.9	-64.3	0	0	0	0	112.3	L540 T541 M555 E587 I588 E594 S595 F608 F610	L540-T591 HydrophobicContact CB-CG2 4.32Å; T541-T591 PolarHBondContact N-OG1 3.21Å; T541-T591 VanDerWaalsContact O-CB 3.27Å; T541-T591 WeakPolarHBondContact O-CB 3.36Å; T541-T591 PolarHBondContact O-OG1 3.22Å; M555-T591 HydrophobicContact SD-CG2 4.47Å; E587-T591 PolarHBondContact O-N 3.49Å; E587-T591 PolarHBondContact O-OG1 3.11Å; I588-T591 PolarHBondContact O-N 3.24Å; I588-T591 VanDerWaalsContact O-N 3.12Å; T591-E594 PolarHBondContact O-N 3.35Å; T591-S595 PolarHBondContact O-N 2.91Å; T591-F608 HydrophobicContact CG2-CE2 4.29Å; T591-F610 HydrophobicContact CG2-CE1 4.11Å; T591-F610 HydrophobicContact CG2-CZ 3.63Å
592	C	98.9	Very high	98.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-73.7	-32.8	175.5	-65.6	0	0	0	0	113.1	C560 I588 A589 R590 E594 S595 Y596 V632	C560-C592 VanDerWaalsContact CA-SG 3.53Å; C560-C592 HydrophobicContact CB-CB 3.86Å; C560-C592 WeakPolarHBondContact CB-SG 3.35Å; C560-C592 WeakPolarHBondContact SG-CB 3.4Å; C560-C592 CovalentContact SG-SG 2.03Å; C560-C592 PolarHBondContact SG-SG 2.84Å; I588-C592 PolarHBondContact O-N 2.88Å; I588-C592 PolarHBondContact O-SG 3.37Å; I588-C592 VanDerWaalsContact O-SG 3.41Å; A589-C592 PolarHBondContact O-N 3.45Å; R590-C592 VanDerWaalsContact C-N 3.34Å; C592-E594 VanDerWaalsContact C-N 3.34Å; C592-S595 PolarHBondContact O-N 3.28Å; C592-S595 PolarHBondContact O-OG 3.4Å; C592-S595 VanDerWaalsContact O-OG 3.08Å; C592-Y596 WeakPolarHBondContact O-CD2 3.39Å; C592-Y596 PolarHBondContact O-N 3.45Å; C592-V632 HydrophobicContact CB-CG1 4.34Å; C592-V632 HydrophobicContact CB-CG2 3.92Å
593	H	98.9	Very high	98.8	Very high	21 Å²	21	32.3 Å²	32.3	10%	0.097	15%	0.148	C	C	.	.	H	α-helix	trans	-62.5	-42.5	167.5	-178.6	-106.9	0	0	0	111.6	A589 R590 S595 Y596 N597 Y636 W651 E654	A589-H593 PolarHBondContact O-N 2.84Å; R590-H593 PolarHBondContact O-N 3.4Å; H593-S595 VanDerWaalsContact C-N 3.34Å; H593-S595 PolarHBondContact O-N 3.45Å; H593-Y596 WeakPolarHBondContact O-CB 3.43Å; H593-Y596 PolarHBondContact O-N 3.21Å; H593-N597 WeakPolarHBondContact O-CB 3.49Å; H593-N597 PolarHBondContact O-N 2.85Å; H593-Y636 VanDerWaalsContact CA-OH 3.23Å; H593-Y636 WeakPolarHBondContact CA-OH 3.1Å; H593-Y636 VanDerWaalsContact CB-OH 3.32Å; H593-Y636 WeakPolarHBondContact CB-OH 3.47Å; H593-Y636 PolarHBondContact CD2-OH 2.03Å; H593-W651 HydrophobicContact CB-CD2 4Å; H593-W651 HydrophobicContact CB-CE3 3.91Å; H593-W651 HydrophobicContact CB-CH2 4.34Å; H593-W651 HydrophobicContact CB-CZ2 4.43Å; H593-W651 HydrophobicContact CB-CZ3 4.07Å; H593-W651 AromaticContact CD2-CD1 3.45Å; H593-W651 VanDerWaalsContact CD2-CD1 3.45Å; H593-W651 AromaticContact CD2-CD2 3.7Å; H593-W651 AromaticContact CD2-CG 3.33Å; H593-W651 AromaticContact CD2-NE1 3.87Å; H593-W651 AromaticContact CE1-CD1 3.53Å; H593-W651 AromaticContact CE1-CE2 3.96Å; H593-W651 AromaticContact CE1-NE1 3.4Å; H593-W651 PolarHBondContact CE1-NE1 2.99Å; H593-W651 AromaticContact CG-CD1 3.91Å; H593-W651 AromaticContact CG-CD2 3.63Å; H593-W651 AromaticContact CG-CE2 3.69Å; H593-W651 AromaticContact CG-CG 3.79Å; H593-W651 AromaticContact CG-NE1 3.85Å; H593-W651 AromaticContact ND1-CD1 3.97Å; H593-W651 AromaticContact ND1-CE2 3.66Å; H593-W651 AromaticContact ND1-NE1 3.58Å; H593-W651 AromaticContact NE2-CD1 3.18Å; H593-W651 AromaticContact NE2-CG 3.58Å; H593-W651 AromaticContact NE2-NE1 3.57Å; H593-E654 IonicContact CD2-OE2 3.1Å; H593-E654 IonicContact CE1-OE2 2.67Å; H593-E654 IonicContact NE2-OE2 3.01Å; H593-E654 PolarHBondContact NE2-OE2 3.44Å
594	E	98.8	Very high	98.8	Very high	42 Å²	42	27.1 Å²	27.1	20%	0.196	12%	0.124	C	C	.	.	H	α-helix	trans	-66.6	-32.3	177.5	-80.6	-71.9	108.5	0	0	113	L540 R590 T591 C592 Y596 N597 R598	L540-E594 HydrophobicContact CD2-CB 4.1Å; L540-E594 HydrophobicContact CD2-CG 3.99Å; R590-E594 PolarHBondContact O-N 2.87Å; T591-E594 PolarHBondContact O-N 3.35Å; C592-E594 VanDerWaalsContact C-N 3.34Å; E594-Y596 VanDerWaalsContact C-N 3.32Å; E594-Y596 PolarHBondContact O-N 3.3Å; E594-N597 PolarHBondContact O-N 2.86Å; E594-N597 PolarHBondContact OE1-ND2 2.96Å; E594-R598 VanDerWaalsContact O-CB 3.31Å; E594-R598 WeakPolarHBondContact O-CB 3.42Å; E594-R598 VanDerWaalsContact O-CD 3.31Å; E594-R598 WeakPolarHBondContact O-CD 3.49Å; E594-R598 WeakPolarHBondContact O-CG 3.45Å; E594-R598 PolarHBondContact O-N 2.66Å; E594-R598 IonicContact OE2-CZ 3.86Å; E594-R598 IonicContact OE2-NE 3.51Å; E594-R598 PolarHBondContact OE2-NE 3.27Å; E594-R598 IonicContact OE2-NH2 3.77Å; E594-R598 PolarHBondContact OE2-NH2 2.9Å
595	S	98.8	Very high	98.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-71.7	-24	173.9	75.1	0	0	0	0	113.8	T591 C592 H593 T599 P605 F608 A616	T591-S595 PolarHBondContact O-N 2.91Å; C592-S595 PolarHBondContact O-N 3.28Å; C592-S595 PolarHBondContact O-OG 3.4Å; C592-S595 VanDerWaalsContact O-OG 3.08Å; H593-S595 VanDerWaalsContact C-N 3.34Å; H593-S595 PolarHBondContact O-N 3.45Å; S595-T599 VanDerWaalsContact O-CG2 3.24Å; S595-T599 WeakPolarHBondContact O-CG2 3.41Å; S595-P605 WeakPolarHBondContact O-CD 3.32Å; S595-F608 WeakPolarHBondContact OG-CE1 3.35Å; S595-A616 WeakPolarHBondContact CA-O 3.41Å
596	Y	98.9	Very high	98.8	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.027	13%	0.126	C	C	.	.	H	α-helix	trans	-74.5	-51	165	-88.2	-127.5	0	0	0	111.4	H557 C592 H593 E594 R598 T599 K602 L603 G604 V632 M633 A655	H557-Y596 AromaticContact NE2-CE2 3.36Å; H557-Y596 WeakPolarHBondContact NE2-CE2 3.25Å; H557-Y596 AromaticContact NE2-CZ 3.61Å; H557-Y596 PolarHBondContact NE2-OH 2.81Å; H557-Y596 VanDerWaalsContact NE2-OH 3.08Å; C592-Y596 WeakPolarHBondContact O-CD2 3.39Å; C592-Y596 PolarHBondContact O-N 3.45Å; H593-Y596 WeakPolarHBondContact O-CB 3.43Å; H593-Y596 PolarHBondContact O-N 3.21Å; E594-Y596 VanDerWaalsContact C-N 3.32Å; E594-Y596 PolarHBondContact O-N 3.3Å; Y596-R598 VanDerWaalsContact C-N 3.26Å; Y596-R598 PolarHBondContact O-N 2.98Å; Y596-T599 PolarHBondContact O-N 2.79Å; Y596-T599 PolarHBondContact O-OG1 2.81Å; Y596-K602 WeakPolarHBondContact CD1-O 3.27Å; Y596-K602 WeakPolarHBondContact O-CA 3.19Å; Y596-L603 HydrophobicContact CD1-CD2 4.41Å; Y596-L603 HydrophobicContact CE1-CD2 3.89Å; Y596-G604 VanDerWaalsContact CD2-CA 3.42Å; Y596-V632 HydrophobicContact CD2-CG1 4.25Å; Y596-V632 HydrophobicContact CD2-CG2 4.28Å; Y596-V632 HydrophobicContact CE2-CB 3.84Å; Y596-V632 HydrophobicContact CE2-CG1 3.9Å; Y596-V632 HydrophobicContact CE2-CG2 3.56Å; Y596-M633 HydrophobicContact CD1-CE 4.35Å; Y596-M633 HydrophobicContact CE1-CE 3.48Å; Y596-M633 VanDerWaalsContact CE1-CE 3.48Å; Y596-A655 HydrophobicContact CD1-CB 4.46Å; Y596-A655 HydrophobicContact CE1-CB 4.16Å
597	N	98.7	Very high	98.7	Very high	60 Å²	60	26.7 Å²	26.7	32%	0.321	12%	0.118	S	C	.	.	H	α-helix	trans	-63.5	-29.3	-173.7	-174.9	26.7	0	0	0	112.9	H593 E594 T599 K602	H593-N597 WeakPolarHBondContact O-CB 3.49Å; H593-N597 PolarHBondContact O-N 2.85Å; E594-N597 PolarHBondContact O-N 2.86Å; E594-N597 PolarHBondContact OE1-ND2 2.96Å; N597-T599 VanDerWaalsContact C-N 3.29Å; N597-T599 PolarHBondContact O-N 3.01Å; N597-K602 PolarHBondContact O-NZ 3.47Å; N597-K602 PolarHBondContact OD1-NZ 2.76Å
598	R	98.4	Very high	98.7	Very high	83 Å²	83	24.6 Å²	24.6	31%	0.313	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	2.5	-179.4	-67.4	166.7	-172.6	-150.9	-1.6	114.5	E594 Y596 E615 I617	E594-R598 VanDerWaalsContact O-CB 3.31Å; E594-R598 WeakPolarHBondContact O-CB 3.42Å; E594-R598 VanDerWaalsContact O-CD 3.31Å; E594-R598 WeakPolarHBondContact O-CD 3.49Å; E594-R598 WeakPolarHBondContact O-CG 3.45Å; E594-R598 PolarHBondContact O-N 2.66Å; E594-R598 IonicContact OE2-CZ 3.86Å; E594-R598 IonicContact OE2-NE 3.51Å; E594-R598 PolarHBondContact OE2-NE 3.27Å; E594-R598 IonicContact OE2-NH2 3.77Å; E594-R598 PolarHBondContact OE2-NH2 2.9Å; Y596-R598 VanDerWaalsContact C-N 3.26Å; Y596-R598 PolarHBondContact O-N 2.98Å; R598-E615 WeakPolarHBondContact CD-O 3.28Å; R598-E615 PolarHBondContact NH1-O 2.76Å; R598-I617 HydrophobicContact CB-CG2 3.55Å
599	T	98.7	Very high	98.7	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.043	11%	0.11	C	C	.	.	S	Bend	trans	-97.1	168.1	174.1	81.5	0	0	0	0	111.8	S595 Y596 N597 K602 L603 V675 Y676	S595-T599 VanDerWaalsContact O-CG2 3.24Å; S595-T599 WeakPolarHBondContact O-CG2 3.41Å; Y596-T599 PolarHBondContact O-N 2.79Å; Y596-T599 PolarHBondContact O-OG1 2.81Å; N597-T599 VanDerWaalsContact C-N 3.29Å; N597-T599 PolarHBondContact O-N 3.01Å; T599-K602 PolarHBondContact OG1-N 2.97Å; T599-K602 VanDerWaalsContact OG1-N 3.13Å; T599-L603 WeakPolarHBondContact CB-O 3.4Å; T599-L603 WeakPolarHBondContact CG2-O 3.41Å; T599-L603 PolarHBondContact OG1-N 2.92Å; T599-L603 PolarHBondContact OG1-O 3.05Å; T599-V675 WeakPolarHBondContact CB-O 3.17Å; T599-V675 HydrophobicContact CG2-CB 4.41Å; T599-V675 HydrophobicContact CG2-CG2 3.63Å; T599-Y676 HydrophobicContact CG2-CD1 4.47Å; T599-Y676 HydrophobicContact CG2-CE1 3.78Å; T599-Y676 HydrophobicContact CG2-CE2 4.41Å
600	F	98.4	Very high	98.7	Very high	103 Å²	103	26.1 Å²	26.1	45%	0.452	11%	0.114	S	C	.	.	S	Bend	trans	-72.8	-49.9	175.5	-178.7	-92	0	0	0	110.3	K602 V675 L677 L678	F600-K602 PolarHBondContact O-N 3.4Å; F600-V675 PolarHBondContact N-O 3.32Å; F600-V675 VanDerWaalsContact N-O 3.09Å; F600-L677 WeakPolarHBondContact CD1-O 3.17Å; F600-L678 HydrophobicContact CE1-CD1 4.12Å; F600-L678 HydrophobicContact CE2-CD1 3.92Å; F600-L678 HydrophobicContact CZ-CD1 3.5Å; F600-L678 VanDerWaalsContact CZ-CD1 3.5Å
601	M	98.3	Very high	98.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-78.8	2.8	-174.5	-60.1	178.5	-172	0	0	113.9	L603 A658 H662 L672 D674 V675 L677 H679	M601-L603 PolarHBondContact O-N 2.92Å; M601-L603 VanDerWaalsContact O-N 3.13Å; M601-A658 WeakPolarHBondContact O-CB 3.2Å; M601-H662 HydrophobicContact CB-CB 4.27Å; M601-H662 HydrophobicContact CG-CB 4.41Å; M601-H662 PolarHBondContact O-CD2 2.61Å; M601-H662 VanDerWaalsContact O-CD2 3.32Å; M601-H662 HydrophobicContact SD-CB 4.37Å; M601-L672 HydrophobicContact SD-CD1 3.68Å; M601-L672 HydrophobicContact SD-CD2 3.92Å; M601-L672 HydrophobicContact SD-CG 4.28Å; M601-D674 WeakPolarHBondContact CE-O 3.35Å; M601-V675 PolarHBondContact N-O 3.35Å; M601-V675 VanDerWaalsContact N-O 3.12Å; M601-L677 HydrophobicContact CE-CB 4.11Å; M601-L677 WeakPolarHBondContact CE-O 3.32Å; M601-H679 WeakPolarHBondContact CE-O 3.46Å
602	K	98.7	Very high	97.8	Very high	89 Å²	89	29.2 Å²	29.2	39%	0.387	16%	0.157	S	C	.	.	S	Bend	trans	56	25.2	-177.9	-57.9	-60.9	-178.2	177.1	0	115.2	Y596 N597 T599 F600 A658	Y596-K602 WeakPolarHBondContact CD1-O 3.27Å; Y596-K602 WeakPolarHBondContact O-CA 3.19Å; N597-K602 PolarHBondContact O-NZ 3.47Å; N597-K602 PolarHBondContact OD1-NZ 2.76Å; T599-K602 PolarHBondContact OG1-N 2.97Å; T599-K602 VanDerWaalsContact OG1-N 3.13Å; F600-K602 PolarHBondContact O-N 3.4Å; K602-A658 HydrophobicContact CB-CB 3.99Å
603	L	98.8	Very high	97.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.199	C	C	.	.			trans	-117.7	140.1	170.1	-62.8	167.7	0	0	0	108.3	Y596 T599 M601 Y626 A658 L659 L672 V675	Y596-L603 HydrophobicContact CD1-CD2 4.41Å; Y596-L603 HydrophobicContact CE1-CD2 3.89Å; T599-L603 WeakPolarHBondContact CB-O 3.4Å; T599-L603 WeakPolarHBondContact CG2-O 3.41Å; T599-L603 PolarHBondContact OG1-N 2.92Å; T599-L603 PolarHBondContact OG1-O 3.05Å; M601-L603 PolarHBondContact O-N 2.92Å; M601-L603 VanDerWaalsContact O-N 3.13Å; L603-Y626 HydrophobicContact CB-CD1 3.96Å; L603-Y626 HydrophobicContact CB-CD2 4.48Å; L603-Y626 HydrophobicContact CB-CE1 4.32Å; L603-Y626 HydrophobicContact CB-CG 4.04Å; L603-Y626 HydrophobicContact CD1-CD1 3.75Å; L603-Y626 HydrophobicContact CD1-CE1 3.86Å; L603-Y626 HydrophobicContact CD2-CD1 4.44Å; L603-Y626 HydrophobicContact CD2-CE1 3.97Å; L603-Y626 HydrophobicContact CG-CD1 4.24Å; L603-Y626 HydrophobicContact CG-CE1 4.25Å; L603-A658 HydrophobicContact CD1-CB 4.47Å; L603-A658 HydrophobicContact CD2-CB 3.81Å; L603-A658 HydrophobicContact CG-CB 3.86Å; L603-L659 HydrophobicContact CD1-CD2 4.47Å; L603-L659 HydrophobicContact CD2-CD2 4.27Å; L603-L659 HydrophobicContact CD2-CG 4.21Å; L603-L672 HydrophobicContact CD1-CD1 3.85Å; L603-V675 HydrophobicContact CB-CG1 4.34Å
604	G	98.6	Very high	97	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.205	C	C	.	.			trans	-77.1	149.7	-175.2	0	0	0	0	0	113.3	Y596 Y626	Y596-G604 VanDerWaalsContact CD2-CA 3.42Å; G604-Y626 WeakPolarHBondContact O-CB 3.39Å; G604-Y626 WeakPolarHBondContact O-CD2 3.12Å
605	P	98.8	Very high	96.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.202	C	C	.	.			trans	-77.8	155.8	175.2	35.9	-38	0	0	0	111.9	S595 A607 F608 A618 E623 Y625 V675 Y676	S595-P605 WeakPolarHBondContact O-CD 3.32Å; P605-A607 PolarHBondContact O-N 3.09Å; P605-A607 VanDerWaalsContact O-N 3.09Å; P605-F608 HydrophobicContact CG-CB 4.15Å; P605-F608 HydrophobicContact CG-CD1 4.24Å; P605-A618 HydrophobicContact CB-CB 3.73Å; P605-A618 HydrophobicContact CG-CB 3.93Å; P605-E623 WeakPolarHBondContact CB-O 3.44Å; P605-Y625 CarbonylContact C-O 3.47Å; P605-Y625 WeakPolarHBondContact CA-O 3.26Å; P605-V675 HydrophobicContact CB-CG2 4.2Å; P605-Y676 HydrophobicContact CB-CE2 4.31Å; P605-Y676 WeakPolarHBondContact CG-OH 3.3Å
606	E	98.7	Very high	96.7	Very high	26 Å²	26	33.4 Å²	33.4	12%	0.121	20%	0.202	C	C	.	.	S	Bend	trans	-50.7	-34.1	175.3	-172.7	73	-178.1	0	0	113.1	G556 H557 E623 Y625 R629	G556-E606 CarbonylContact C-O 3.51Å; G556-E606 WeakPolarHBondContact CA-O 3.31Å; H557-E606 PolarHBondContact N-O 3.15Å; E606-E623 PolarHBondContact N-O 3.28Å; E606-Y625 HydrophobicContact CB-CD1 4.37Å; E606-Y625 HydrophobicContact CB-CD2 3.87Å; E606-Y625 HydrophobicContact CB-CE1 4.13Å; E606-Y625 HydrophobicContact CB-CE2 3.62Å; E606-Y625 HydrophobicContact CB-CG 4.27Å; E606-Y625 VanDerWaalsContact CD-CE2 3.46Å; E606-Y625 HydrophobicContact CG-CD2 4.32Å; E606-Y625 HydrophobicContact CG-CE1 4.18Å; E606-Y625 HydrophobicContact CG-CE2 3.56Å; E606-Y625 VanDerWaalsContact CG-CZ 3.49Å; E606-Y625 WeakPolarHBondContact CG-OH 3.33Å; E606-Y625 PolarHBondContact N-O 3.49Å; E606-Y625 WeakPolarHBondContact OE2-CE2 3.11Å; E606-R629 VanDerWaalsContact CD-NE 3.33Å; E606-R629 IonicContact OE1-CZ 3.23Å; E606-R629 IonicContact OE1-NE 3.64Å; E606-R629 PolarHBondContact OE1-NE 2.82Å; E606-R629 VanDerWaalsContact OE1-NE 3.14Å; E606-R629 IonicContact OE1-NH2 2.81Å; E606-R629 PolarHBondContact OE1-NH2 2.76Å; E606-R629 WeakPolarHBondContact OE2-CD 3.34Å; E606-R629 IonicContact OE2-CZ 3.62Å; E606-R629 IonicContact OE2-NE 2.62Å; E606-R629 PolarHBondContact OE2-NE 3.36Å; E606-R629 IonicContact OE2-NH2 2.78Å
607	A	98.6	Very high	96.7	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.033	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	148.5	167.7	0	0	0	0	0	113.8	K554 M555 P605 A618 E623	K554-A607 HydrophobicContact CD-CB 4.28Å; K554-A607 HydrophobicContact CG-CB 4.2Å; M555-A607 WeakPolarHBondContact O-CA 3.36Å; M555-A607 WeakPolarHBondContact O-CB 3.27Å; P605-A607 PolarHBondContact O-N 3.09Å; P605-A607 VanDerWaalsContact O-N 3.09Å; A607-A618 WeakPolarHBondContact O-CB 3.34Å; A607-E623 HydrophobicContact CB-CB 4.33Å; A607-E623 PolarHBondContact N-O 2.98Å
608	F	98.5	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	157.5	-176.2	45.6	-88.7	0	0	0	111.7	K554 M555 T591 S595 P605 F610 A616 I617	K554-F608 WeakPolarHBondContact CA-O 3.16Å; M555-F608 HydrophobicContact CB-CD2 4.14Å; M555-F608 HydrophobicContact CB-CE2 3.66Å; M555-F608 HydrophobicContact CB-CZ 4.08Å; M555-F608 HydrophobicContact CE-CZ 4.25Å; M555-F608 HydrophobicContact CG-CE2 3.85Å; M555-F608 HydrophobicContact CG-CZ 3.86Å; M555-F608 PolarHBondContact N-O 3.46Å; M555-F608 PolarHBondContact O-N 3.35Å; M555-F608 HydrophobicContact SD-CE2 3.78Å; M555-F608 HydrophobicContact SD-CZ 3.97Å; T591-F608 HydrophobicContact CG2-CE2 4.29Å; S595-F608 WeakPolarHBondContact OG-CE1 3.35Å; P605-F608 HydrophobicContact CG-CB 4.15Å; P605-F608 HydrophobicContact CG-CD1 4.24Å; F608-F610 AromaticContact CD2-CE2 3.68Å; F608-F610 HydrophobicContact CD2-CE2 3.68Å; F608-F610 AromaticContact CD2-CZ 3.66Å; F608-F610 HydrophobicContact CD2-CZ 3.66Å; F608-F610 AromaticContact CE2-CE2 3.93Å; F608-F610 HydrophobicContact CE2-CE2 3.93Å; F608-F610 AromaticContact CE2-CZ 3.81Å; F608-F610 HydrophobicContact CE2-CZ 3.81Å; F608-A616 HydrophobicContact CD2-CB 4.44Å; F608-I617 WeakPolarHBondContact CA-O 3.41Å
609	R	98.4	Very high	96.4	Very high	13 Å²	13	32.6 Å²	32.6	5%	0.049	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	161.1	-169.6	-75.9	177.9	178.9	-77.8	-16.5	114.3	E552 H553 K554 D611 V614 E615 A616 I617 T619 R620 E623	E552-R609 IonicContact OE1-CZ 3.18Å; E552-R609 IonicContact OE1-NH1 3.21Å; E552-R609 PolarHBondContact OE1-NH1 3.14Å; E552-R609 IonicContact OE1-NH2 2.61Å; E552-R609 PolarHBondContact OE1-NH2 3.16Å; H553-R609 WeakPolarHBondContact O-CA 3.35Å; K554-R609 HydrophobicContact CB-CG 4.27Å; R609-D611 WeakPolarHBondContact CD-OD1 3.47Å; R609-D611 IonicContact NH1-OD1 3.71Å; R609-D611 IonicContact NH1-OD2 2.8Å; R609-D611 PolarHBondContact NH1-OD2 2.88Å; R609-V614 HydrophobicContact CB-CG2 4.15Å; R609-E615 CarbonylContact O-C 3.38Å; R609-E615 VanDerWaalsContact O-CA 3.23Å; R609-E615 WeakPolarHBondContact O-CA 3.48Å; R609-A616 PolarHBondContact O-N 3.46Å; R609-I617 PolarHBondContact N-O 2.6Å; R609-T619 WeakPolarHBondContact CD-OG1 3.38Å; R609-R620 VanDerWaalsContact NH2-NH2 3.19Å; R609-E623 IonicContact NE-OE2 3.99Å; R609-E623 IonicContact NH2-OE2 3.99Å
610	F	98	Very high	96.3	Very high	19 Å²	19	37.4 Å²	37.4	8%	0.083	23%	0.225	C	C	.	.	S	Bend	trans	-132.6	23.2	176.6	-55.7	-86.2	0	0	0	111.3	L540 Y542 H553 M555 T591 F608 V614 E615 A616	L540-F610 HydrophobicContact CB-CE1 4.16Å; L540-F610 HydrophobicContact CD1-CE1 4Å; Y542-F610 VanDerWaalsContact CB-CE2 3.44Å; Y542-F610 HydrophobicContact CD1-CB 4.15Å; Y542-F610 AromaticContact CD1-CD1 3.7Å; Y542-F610 HydrophobicContact CD1-CD1 3.7Å; Y542-F610 AromaticContact CD1-CD2 3.78Å; Y542-F610 HydrophobicContact CD1-CD2 3.78Å; Y542-F610 HydrophobicContact CD1-CE1 4.01Å; Y542-F610 HydrophobicContact CD1-CE2 4.1Å; Y542-F610 AromaticContact CD1-CG 3.58Å; Y542-F610 HydrophobicContact CD1-CG 3.58Å; Y542-F610 HydrophobicContact CD1-CZ 4.2Å; Y542-F610 HydrophobicContact CD2-CB 4.46Å; Y542-F610 AromaticContact CD2-CD2 3.48Å; Y542-F610 HydrophobicContact CD2-CD2 3.48Å; Y542-F610 VanDerWaalsContact CD2-CD2 3.48Å; Y542-F610 AromaticContact CD2-CE2 3.9Å; Y542-F610 HydrophobicContact CD2-CE2 3.9Å; Y542-F610 HydrophobicContact CD2-CG 4.02Å; Y542-F610 HydrophobicContact CE1-CB 3.69Å; Y542-F610 AromaticContact CE1-CD1 4Å; Y542-F610 HydrophobicContact CE1-CD1 4Å; Y542-F610 HydrophobicContact CE1-CD2 4.15Å; Y542-F610 AromaticContact CE1-CG 3.66Å; Y542-F610 HydrophobicContact CE1-CG 3.66Å; Y542-F610 HydrophobicContact CE2-CB 4.03Å; Y542-F610 AromaticContact CE2-CD2 3.87Å; Y542-F610 HydrophobicContact CE2-CD2 3.87Å; Y542-F610 HydrophobicContact CE2-CG 4.1Å; Y542-F610 HydrophobicContact CG-CD1 4.17Å; Y542-F610 AromaticContact CG-CD2 3.43Å; Y542-F610 HydrophobicContact CG-CD2 3.43Å; Y542-F610 VanDerWaalsContact CG-CD2 3.43Å; Y542-F610 HydrophobicContact CG-CE1 4.25Å; Y542-F610 AromaticContact CG-CE2 3.55Å; Y542-F610 HydrophobicContact CG-CE2 3.55Å; Y542-F610 AromaticContact CG-CG 3.77Å; Y542-F610 HydrophobicContact CG-CG 3.77Å; Y542-F610 AromaticContact CG-CZ 3.97Å; Y542-F610 HydrophobicContact CG-CZ 3.97Å; Y542-F610 AromaticContact CZ-CG 3.93Å; H553-F610 PolarHBondContact O-N 2.81Å; M555-F610 HydrophobicContact CB-CE2 4.01Å; T591-F610 HydrophobicContact CG2-CE1 4.11Å; T591-F610 HydrophobicContact CG2-CZ 3.63Å; F608-F610 AromaticContact CD2-CE2 3.68Å; F608-F610 HydrophobicContact CD2-CE2 3.68Å; F608-F610 AromaticContact CD2-CZ 3.66Å; F608-F610 HydrophobicContact CD2-CZ 3.66Å; F608-F610 AromaticContact CE2-CE2 3.93Å; F608-F610 HydrophobicContact CE2-CE2 3.93Å; F608-F610 AromaticContact CE2-CZ 3.81Å; F608-F610 HydrophobicContact CE2-CZ 3.81Å; F610-V614 CarbonylContact C-O 3.36Å; F610-V614 WeakPolarHBondContact CA-O 3.49Å; F610-E615 HydrophobicContact CD1-CB 4.15Å; F610-E615 HydrophobicContact CD1-CG 4.32Å; F610-A616 HydrophobicContact CE1-CB 4.03Å; F610-A616 HydrophobicContact CZ-CB 4.21Å
611	D	92	Very high	96.2	Very high	56 Å²	56	37.9 Å²	37.9	30%	0.299	23%	0.228	S	C	.	.	S	Bend	trans	-121	179.1	176	57.5	25.1	0	0	0	110.9	H553 R609 G613 V614	H553-D611 HydrophobicContact CB-CB 3.99Å; R609-D611 WeakPolarHBondContact CD-OD1 3.47Å; R609-D611 IonicContact NH1-OD1 3.71Å; R609-D611 IonicContact NH1-OD2 2.8Å; R609-D611 PolarHBondContact NH1-OD2 2.88Å; D611-G613 PolarHBondContact O-N 3.08Å; D611-V614 VanDerWaalsContact O-CG2 3.31Å; D611-V614 WeakPolarHBondContact O-CG2 3.44Å; D611-V614 PolarHBondContact O-N 3.4Å
612	G	87.5	Confident	96.1	Very high	84 Å²	84	43.3 Å²	43.3	87%	0.866	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	12.8	171.5	0	0	0	0	0	116.6
613	G	88.9	Confident	96.1	Very high	86 Å²	86	39.7 Å²	39.7	89%	0.887	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.2	12.2	-174.8	0	0	0	0	0	114.5	D611	D611-G613 PolarHBondContact O-N 3.08Å
614	V	92.5	Very high	96	Very high	37 Å²	37	41.4 Å²	41.4	22%	0.224	25%	0.25	C	C	.	.			trans	-118	154.9	174.2	-57	0	0	0	0	111.4	R609 F610 D611 I617 T619	R609-V614 HydrophobicContact CB-CG2 4.15Å; F610-V614 CarbonylContact C-O 3.36Å; F610-V614 WeakPolarHBondContact CA-O 3.49Å; D611-V614 VanDerWaalsContact O-CG2 3.31Å; D611-V614 WeakPolarHBondContact O-CG2 3.44Å; D611-V614 PolarHBondContact O-N 3.4Å; V614-I617 HydrophobicContact CB-CD1 3.94Å; V614-I617 HydrophobicContact CB-CG1 3.74Å; V614-I617 HydrophobicContact CG1-CD1 3.91Å; V614-I617 HydrophobicContact CG1-CG1 4.25Å; V614-I617 HydrophobicContact CG2-CG1 4.16Å; V614-T619 HydrophobicContact CG2-CG2 3.67Å
615	E	95.1	Very high	96.1	Very high	28 Å²	28	45.2 Å²	45.2	13%	0.131	26%	0.264	C	S	.	.	S	Bend	trans	-139.3	132.4	175	-67.6	-169.9	-173.9	0	0	110.8	S536 S537 S538 L540 R598 R609 F610 I617	S536-E615 WeakPolarHBondContact CB-OE1 3.3Å; S536-E615 VanDerWaalsContact CB-OE2 3.25Å; S536-E615 WeakPolarHBondContact CB-OE2 3.42Å; S536-E615 PolarHBondContact OG-OE1 3.16Å; S536-E615 PolarHBondContact OG-OE2 2.89Å; S537-E615 WeakPolarHBondContact CA-OE1 3.5Å; S537-E615 WeakPolarHBondContact CB-OE1 3.38Å; S537-E615 PolarHBondContact N-OE1 3.16Å; S537-E615 PolarHBondContact OG-OE1 2.88Å; S538-E615 VanDerWaalsContact CB-OE2 3.29Å; S538-E615 WeakPolarHBondContact CB-OE2 3.36Å; S538-E615 PolarHBondContact N-OE1 2.96Å; S538-E615 PolarHBondContact N-OE2 3.15Å; S538-E615 PolarHBondContact OG-OE2 3Å; L540-E615 HydrophobicContact CD1-CB 4.37Å; R598-E615 WeakPolarHBondContact CD-O 3.28Å; R598-E615 PolarHBondContact NH1-O 2.76Å; R609-E615 CarbonylContact O-C 3.38Å; R609-E615 VanDerWaalsContact O-CA 3.23Å; R609-E615 WeakPolarHBondContact O-CA 3.48Å; F610-E615 HydrophobicContact CD1-CB 4.15Å; F610-E615 HydrophobicContact CD1-CG 4.32Å; E615-I617 PolarHBondContact O-N 2.77Å
616	A	97.1	Very high	96.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	54.7	32.2	179.3	0	0	0	0	0	114.8	L540 S595 F608 R609 F610	L540-A616 HydrophobicContact CD1-CB 3.96Å; S595-A616 WeakPolarHBondContact CA-O 3.41Å; F608-A616 HydrophobicContact CD2-CB 4.44Å; R609-A616 PolarHBondContact O-N 3.46Å; F610-A616 HydrophobicContact CE1-CB 4.03Å; F610-A616 HydrophobicContact CZ-CB 4.21Å
617	I	97.5	Very high	96.1	Very high	48 Å²	48	45.5 Å²	45.5	25%	0.246	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-133.3	158	169	59.3	166.4	0	0	0	112.7	R598 F608 R609 V614 E615 Y676	R598-I617 HydrophobicContact CB-CG2 3.55Å; F608-I617 WeakPolarHBondContact CA-O 3.41Å; R609-I617 PolarHBondContact N-O 2.6Å; V614-I617 HydrophobicContact CB-CD1 3.94Å; V614-I617 HydrophobicContact CB-CG1 3.74Å; V614-I617 HydrophobicContact CG1-CD1 3.91Å; V614-I617 HydrophobicContact CG1-CG1 4.25Å; V614-I617 HydrophobicContact CG2-CG1 4.16Å; E615-I617 PolarHBondContact O-N 2.77Å; I617-Y676 WeakPolarHBondContact CA-OH 3.23Å; I617-Y676 HydrophobicContact CB-CE1 4.13Å; I617-Y676 WeakPolarHBondContact CB-OH 3.28Å; I617-Y676 HydrophobicContact CG2-CE1 3.93Å
618	A	97.4	Very high	96.1	Very high	8 Å²	8	45.3 Å²	45.3	7%	0.066	27%	0.265	C	S	.	.			trans	-86.3	133.6	177.2	0	0	0	0	0	112.1	P605 A607 K624 Y676	P605-A618 HydrophobicContact CB-CB 3.73Å; P605-A618 HydrophobicContact CG-CB 3.93Å; A607-A618 WeakPolarHBondContact O-CB 3.34Å; A618-K624 HydrophobicContact CB-CB 4.42Å; A618-K624 HydrophobicContact CB-CG 3.78Å; A618-Y676 HydrophobicContact CB-CE2 4Å; A618-Y676 PolarHBondContact N-OH 3.32Å
619	T	94.9	Very high	96.1	Very high	77 Å²	77	46.9 Å²	46.9	47%	0.472	27%	0.271	S	S	.	.			trans	-104.6	-30.5	177.4	61.5	0	0	0	0	113.5	R609 V614	R609-T619 WeakPolarHBondContact CD-OG1 3.38Å; V614-T619 HydrophobicContact CG2-CG2 3.67Å
620	R	96.3	Very high	96.1	Very high	107 Å²	107	46.3 Å²	46.3	40%	0.404	27%	0.269	S	S	.	.	S	Bend	trans	-87.5	132.3	178.8	-56.6	-172.5	-177.5	138.2	-4.1	110.2	E552 R609 N622 E623	E552-R620 IonicContact OE1-CZ 3.87Å; E552-R620 IonicContact OE1-NH1 2.81Å; E552-R620 IonicContact OE1-NH2 3.23Å; E552-R620 PolarHBondContact OE1-NH2 2.9Å; R609-R620 VanDerWaalsContact NH2-NH2 3.19Å; R620-N622 WeakPolarHBondContact CB-OD1 3.44Å; R620-N622 PolarHBondContact O-N 2.8Å; R620-N622 VanDerWaalsContact O-N 3.1Å; R620-E623 HydrophobicContact CB-CB 4.24Å; R620-E623 HydrophobicContact CB-CG 4.02Å; R620-E623 WeakPolarHBondContact CD-OE2 3.41Å; R620-E623 WeakPolarHBondContact CG-OE2 3.26Å; R620-E623 IonicContact CZ-OE1 3.67Å; R620-E623 IonicContact NE-OE2 2.91Å; R620-E623 IonicContact NH1-OE1 3.94Å; R620-E623 PolarHBondContact NH1-OE1 2.77Å; R620-E623 IonicContact NH1-OE2 3.96Å; R620-E623 PolarHBondContact O-N 3.41Å
621	Q	95.8	Very high	96.2	Very high	113 Å²	113	46.1 Å²	46.1	53%	0.528	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-57.8	-29.9	-176.2	-169.9	60	40.1	0	0	113.7	D674	Q621-D674 PolarHBondContact NE2-OD2 3.33Å
622	N	96.1	Very high	96.5	Very high	115 Å²	115	43.5 Å²	43.5	62%	0.615	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-87.3	3.6	177.3	69.8	-54.2	0	0	0	114.4	R620 Y625	R620-N622 WeakPolarHBondContact CB-OD1 3.44Å; R620-N622 PolarHBondContact O-N 2.8Å; R620-N622 VanDerWaalsContact O-N 3.1Å; N622-Y625 WeakPolarHBondContact O-CD1 3.28Å; N622-Y625 VanDerWaalsContact O-CE1 3.25Å; N622-Y625 WeakPolarHBondContact O-CE1 3.43Å
623	E	97.7	Very high	97	Very high	13 Å²	13	39.6 Å²	39.6	6%	0.061	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-108.8	-2.6	174	-66.2	179.1	155.1	0	0	111.6	K554 P605 E606 A607 R609 R620	K554-E623 WeakPolarHBondContact CE-OE1 3.35Å; K554-E623 IonicContact NZ-OE1 3.63Å; K554-E623 PolarHBondContact NZ-OE1 3.41Å; P605-E623 WeakPolarHBondContact CB-O 3.44Å; E606-E623 PolarHBondContact N-O 3.28Å; A607-E623 HydrophobicContact CB-CB 4.33Å; A607-E623 PolarHBondContact N-O 2.98Å; R609-E623 IonicContact NE-OE2 3.99Å; R609-E623 IonicContact NH2-OE2 3.99Å; R620-E623 HydrophobicContact CB-CB 4.24Å; R620-E623 HydrophobicContact CB-CG 4.02Å; R620-E623 WeakPolarHBondContact CD-OE2 3.41Å; R620-E623 WeakPolarHBondContact CG-OE2 3.26Å; R620-E623 IonicContact CZ-OE1 3.67Å; R620-E623 IonicContact NE-OE2 2.91Å; R620-E623 IonicContact NH1-OE1 3.94Å; R620-E623 PolarHBondContact NH1-OE1 2.77Å; R620-E623 IonicContact NH1-OE2 3.96Å; R620-E623 PolarHBondContact O-N 3.41Å
624	K	98.6	Very high	97.5	Very high	36 Å²	36	36 Å²	36	16%	0.157	17%	0.173	C	C	.	.			trans	-88.2	-1	-174.2	-67.4	-178.8	172.3	-178.3	0	116.4	A618 D674 V675 Y676	A618-K624 HydrophobicContact CB-CB 4.42Å; A618-K624 HydrophobicContact CB-CG 3.78Å; K624-D674 HydrophobicContact CB-CB 4.48Å; K624-D674 HydrophobicContact CD-CB 4.44Å; K624-D674 VanDerWaalsContact CD-CG 3.42Å; K624-D674 WeakPolarHBondContact CD-OD1 3.38Å; K624-D674 WeakPolarHBondContact CD-OD2 3.43Å; K624-D674 IonicContact NZ-OD1 3.84Å; K624-D674 IonicContact NZ-OD2 2.78Å; K624-D674 PolarHBondContact NZ-OD2 2.91Å; K624-V675 PolarHBondContact O-N 3.31Å; K624-Y676 HydrophobicContact CB-CD2 4.29Å; K624-Y676 HydrophobicContact CB-CE2 4.35Å; K624-Y676 HydrophobicContact CD-CD2 4.03Å; K624-Y676 HydrophobicContact CG-CD2 4.04Å; K624-Y676 HydrophobicContact CG-CE2 4.07Å
625	Y	98.8	Very high	97.8	Very high	79 Å²	79	34.2 Å²	34.2	31%	0.31	16%	0.163	S	C	.	.			trans	-80.4	161.1	-174.7	63.6	-102.9	0	0	0	112.1	P605 E606 N622 I627 L672	P605-Y625 CarbonylContact C-O 3.47Å; P605-Y625 WeakPolarHBondContact CA-O 3.26Å; E606-Y625 HydrophobicContact CB-CD1 4.37Å; E606-Y625 HydrophobicContact CB-CD2 3.87Å; E606-Y625 HydrophobicContact CB-CE1 4.13Å; E606-Y625 HydrophobicContact CB-CE2 3.62Å; E606-Y625 HydrophobicContact CB-CG 4.27Å; E606-Y625 VanDerWaalsContact CD-CE2 3.46Å; E606-Y625 HydrophobicContact CG-CD2 4.32Å; E606-Y625 HydrophobicContact CG-CE1 4.18Å; E606-Y625 HydrophobicContact CG-CE2 3.56Å; E606-Y625 VanDerWaalsContact CG-CZ 3.49Å; E606-Y625 WeakPolarHBondContact CG-OH 3.33Å; E606-Y625 PolarHBondContact N-O 3.49Å; E606-Y625 WeakPolarHBondContact OE2-CE2 3.11Å; N622-Y625 WeakPolarHBondContact O-CD1 3.28Å; N622-Y625 VanDerWaalsContact O-CE1 3.25Å; N622-Y625 WeakPolarHBondContact O-CE1 3.43Å; Y625-I627 HydrophobicContact CD2-CG1 4.41Å; Y625-I627 HydrophobicContact CD2-CG2 3.8Å; Y625-I627 HydrophobicContact CE2-CD1 4.15Å; Y625-I627 HydrophobicContact CE2-CG1 4.19Å; Y625-I627 HydrophobicContact CE2-CG2 4.12Å; Y625-L672 CarbonylContact C-O 3.58Å; Y625-L672 WeakPolarHBondContact CA-O 3.25Å; Y625-L672 WeakPolarHBondContact CB-O 3.35Å
626	Y	98.9	Very high	98	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-134.5	112.6	169.7	173.7	-104.7	0	0	0	109.2	H557 L603 G604 L628 R629 L659 G671 L672	H557-Y626 AromaticContact NE2-CD2 3.73Å; H557-Y626 AromaticContact NE2-CE2 3.49Å; H557-Y626 WeakPolarHBondContact NE2-CE2 3.43Å; L603-Y626 HydrophobicContact CB-CD1 3.96Å; L603-Y626 HydrophobicContact CB-CD2 4.48Å; L603-Y626 HydrophobicContact CB-CE1 4.32Å; L603-Y626 HydrophobicContact CB-CG 4.04Å; L603-Y626 HydrophobicContact CD1-CD1 3.75Å; L603-Y626 HydrophobicContact CD1-CE1 3.86Å; L603-Y626 HydrophobicContact CD2-CD1 4.44Å; L603-Y626 HydrophobicContact CD2-CE1 3.97Å; L603-Y626 HydrophobicContact CG-CD1 4.24Å; L603-Y626 HydrophobicContact CG-CE1 4.25Å; G604-Y626 WeakPolarHBondContact O-CB 3.39Å; G604-Y626 WeakPolarHBondContact O-CD2 3.12Å; Y626-L628 VanDerWaalsContact CE1-CA 3.47Å; Y626-L628 HydrophobicContact CE1-CD2 4.33Å; Y626-L628 PolarHBondContact O-N 3.08Å; Y626-L628 VanDerWaalsContact OH-C 3.24Å; Y626-R629 HydrophobicContact CE2-CB 3.99Å; Y626-R629 PolarHBondContact OH-N 3.34Å; Y626-R629 PolarHBondContact OH-O 3.5Å; Y626-L659 HydrophobicContact CE1-CD2 3.94Å; Y626-G671 CarbonylContact O-C 3.5Å; Y626-G671 WeakPolarHBondContact O-CA 3.5Å; Y626-L672 PolarHBondContact N-O 3.03Å; Y626-L672 PolarHBondContact O-N 3.19Å
627	I	98.8	Very high	98.1	Very high	31 Å²	31	32.9 Å²	32.9	16%	0.159	16%	0.157	C	C	.	.			trans	-100.8	46.3	-175.9	54.4	172.8	0	0	0	112.6	Y625 R629 Q687 F689	Y625-I627 HydrophobicContact CD2-CG1 4.41Å; Y625-I627 HydrophobicContact CD2-CG2 3.8Å; Y625-I627 HydrophobicContact CE2-CD1 4.15Å; Y625-I627 HydrophobicContact CE2-CG1 4.19Å; Y625-I627 HydrophobicContact CE2-CG2 4.12Å; I627-R629 HydrophobicContact CG1-CG 3.99Å; I627-R629 PolarHBondContact O-N 3.27Å; I627-Q687 HydrophobicContact CB-CG 4.4Å; I627-Q687 WeakPolarHBondContact O-CG 3.34Å; I627-F689 HydrophobicContact CD1-CZ 4.27Å; I627-F689 HydrophobicContact CG1-CZ 4.26Å; I627-F689 WeakPolarHBondContact O-CE2 3.28Å; I627-F689 WeakPolarHBondContact O-CZ 3.42Å
628	L	98.9	Very high	98.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	65.6	19.6	177.7	-53	177.2	0	0	0	115.5	Y626 L659 C663 Q686 F690 T694	Y626-L628 VanDerWaalsContact CE1-CA 3.47Å; Y626-L628 HydrophobicContact CE1-CD2 4.33Å; Y626-L628 PolarHBondContact O-N 3.08Å; Y626-L628 VanDerWaalsContact OH-C 3.24Å; L628-L659 HydrophobicContact CD2-CD2 4.18Å; L628-C663 HydrophobicContact CD2-CB 3.72Å; L628-C663 VanDerWaalsContact CD2-SG 3.57Å; L628-Q686 HydrophobicContact CD1-CG 4.47Å; L628-F690 HydrophobicContact CB-CB 3.98Å; L628-F690 HydrophobicContact CB-CD2 3.7Å; L628-F690 HydrophobicContact CB-CG 4.06Å; L628-F690 HydrophobicContact CD1-CB 4.07Å; L628-F690 HydrophobicContact CD1-CD1 4.46Å; L628-F690 HydrophobicContact CD1-CD2 4.29Å; L628-F690 HydrophobicContact CD1-CG 4.01Å; L628-F690 HydrophobicContact CD2-CD2 4.32Å; L628-F690 HydrophobicContact CD2-CE2 4.41Å; L628-F690 HydrophobicContact CG-CD2 4.33Å; L628-T694 PolarHBondContact O-OG1 3.25Å
629	R	98.8	Very high	98.2	Very high	34 Å²	34	30.5 Å²	30.5	13%	0.128	14%	0.143	C	C	.	.			trans	-59.2	149.2	-172.2	-83.2	-165.9	178	-71	-1.9	115.6	H557 E606 Y626 I627 E631 F689	H557-R629 VanDerWaalsContact CE1-CB 3.45Å; H557-R629 WeakPolarHBondContact CE1-CB 3.46Å; E606-R629 VanDerWaalsContact CD-NE 3.33Å; E606-R629 IonicContact OE1-CZ 3.23Å; E606-R629 IonicContact OE1-NE 3.64Å; E606-R629 PolarHBondContact OE1-NE 2.82Å; E606-R629 VanDerWaalsContact OE1-NE 3.14Å; E606-R629 IonicContact OE1-NH2 2.81Å; E606-R629 PolarHBondContact OE1-NH2 2.76Å; E606-R629 WeakPolarHBondContact OE2-CD 3.34Å; E606-R629 IonicContact OE2-CZ 3.62Å; E606-R629 IonicContact OE2-NE 2.62Å; E606-R629 PolarHBondContact OE2-NE 3.36Å; E606-R629 IonicContact OE2-NH2 2.78Å; Y626-R629 HydrophobicContact CE2-CB 3.99Å; Y626-R629 PolarHBondContact OH-N 3.34Å; Y626-R629 PolarHBondContact OH-O 3.5Å; I627-R629 HydrophobicContact CG1-CG 3.99Å; I627-R629 PolarHBondContact O-N 3.27Å; R629-E631 WeakPolarHBondContact CB-OE2 3.23Å; R629-E631 WeakPolarHBondContact CD-OE1 3.32Å; R629-E631 WeakPolarHBondContact CD-OE2 3.28Å; R629-E631 IonicContact CZ-OE1 3.8Å; R629-E631 IonicContact NE-OE1 3.74Å; R629-E631 IonicContact NH1-OE1 3.38Å; R629-E631 PolarHBondContact NH1-OE1 2.9Å; R629-F689 HydrophobicContact CG-CE2 4.23Å; R629-F689 HydrophobicContact CG-CZ 4.42Å
630	P	98.9	Very high	98.4	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	12%	0.124	C	C	.	.			trans	-98.2	-20.1	-174.5	36.8	-36.4	0	0	0	116.5	V632 M633 E634 E693 T694 Y697	P630-V632 PolarHBondContact O-N 2.77Å; P630-M633 CarbonylContact O-C 3.58Å; P630-M633 WeakPolarHBondContact O-CA 3.36Å; P630-M633 WeakPolarHBondContact O-CB 3.48Å; P630-M633 PolarHBondContact O-N 3.12Å; P630-E634 PolarHBondContact O-N 3.39Å; P630-E693 HydrophobicContact CB-CB 3.49Å; P630-E693 VanDerWaalsContact CB-CB 3.49Å; P630-E693 HydrophobicContact CG-CB 3.73Å; P630-E693 HydrophobicContact CG-CG 4.28Å; P630-E693 WeakPolarHBondContact CG-OE1 3.4Å; P630-T694 WeakPolarHBondContact CA-OG1 3.17Å; P630-T694 WeakPolarHBondContact CB-OG1 3.22Å; P630-Y697 HydrophobicContact CB-CD2 4.26Å; P630-Y697 HydrophobicContact CB-CE2 4.47Å
631	E	98.9	Very high	98.5	Very high	15 Å²	15	23.3 Å²	23.3	7%	0.07	11%	0.107	C	C	.	.	H	α-helix	trans	-68.5	-20.4	-153.3	-45.5	84.2	175.1	0	0	113.6	H557 L558 F561 R629 T635	H557-E631 IonicContact CE1-OE2 2.77Å; H557-E631 PolarHBondContact CE1-OE2 3.07Å; H557-E631 VanDerWaalsContact CE1-OE2 3.27Å; H557-E631 IonicContact CG-OE2 2.68Å; H557-E631 IonicContact ND1-OE2 3.14Å; H557-E631 PolarHBondContact ND1-OE2 2.74Å; L558-E631 WeakPolarHBondContact CD2-OE1 3.48Å; F561-E631 HydrophobicContact CB-CB 3.95Å; F561-E631 HydrophobicContact CB-CG 4.36Å; R629-E631 WeakPolarHBondContact CB-OE2 3.23Å; R629-E631 WeakPolarHBondContact CD-OE1 3.32Å; R629-E631 WeakPolarHBondContact CD-OE2 3.28Å; R629-E631 IonicContact CZ-OE1 3.8Å; R629-E631 IonicContact NE-OE1 3.74Å; R629-E631 IonicContact NH1-OE1 3.38Å; R629-E631 PolarHBondContact NH1-OE1 2.9Å; E631-T635 PolarHBondContact O-N 3.39Å
632	V	98.9	Very high	98.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-74.6	-37.7	169.7	176.9	0	0	0	0	111.9	C560 C592 Y596 P630 Y636	C560-V632 HydrophobicContact CB-CG2 3.52Å; C592-V632 HydrophobicContact CB-CG1 4.34Å; C592-V632 HydrophobicContact CB-CG2 3.92Å; Y596-V632 HydrophobicContact CD2-CG1 4.25Å; Y596-V632 HydrophobicContact CD2-CG2 4.28Å; Y596-V632 HydrophobicContact CE2-CB 3.84Å; Y596-V632 HydrophobicContact CE2-CG1 3.9Å; Y596-V632 HydrophobicContact CE2-CG2 3.56Å; P630-V632 PolarHBondContact O-N 2.77Å; V632-Y636 HydrophobicContact CG1-CD2 4.4Å; V632-Y636 HydrophobicContact CG1-CE1 3.88Å; V632-Y636 HydrophobicContact CG1-CE2 3.67Å; V632-Y636 VanDerWaalsContact CG1-OH 3.28Å; V632-Y636 WeakPolarHBondContact CG1-OH 3.42Å; V632-Y636 WeakPolarHBondContact O-CD1 3.33Å; V632-Y636 VanDerWaalsContact O-CG 3.22Å; V632-Y636 PolarHBondContact O-N 3.48Å
633	M	98.9	Very high	98.8	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-73.5	-36.1	174.9	-52.9	-52.3	127.7	0	0	111.7	Y596 P630 Y636 M637 A655 L698	Y596-M633 HydrophobicContact CD1-CE 4.35Å; Y596-M633 HydrophobicContact CE1-CE 3.48Å; Y596-M633 VanDerWaalsContact CE1-CE 3.48Å; P630-M633 CarbonylContact O-C 3.58Å; P630-M633 WeakPolarHBondContact O-CA 3.36Å; P630-M633 WeakPolarHBondContact O-CB 3.48Å; P630-M633 PolarHBondContact O-N 3.12Å; M633-Y636 HydrophobicContact CE-CD2 4.31Å; M633-Y636 HydrophobicContact CE-CE2 3.96Å; M633-Y636 PolarHBondContact O-N 3.25Å; M633-Y636 HydrophobicContact SD-CD2 3.83Å; M633-Y636 HydrophobicContact SD-CE2 4.06Å; M633-M637 PolarHBondContact O-N 3.08Å; M633-A655 HydrophobicContact CE-CB 3.35Å; M633-A655 HydrophobicContact SD-CB 3.7Å; M633-L698 HydrophobicContact CB-CD2 4.5Å; M633-L698 HydrophobicContact CB-CG 4.45Å; M633-L698 HydrophobicContact CG-CD2 4.19Å; M633-L698 HydrophobicContact CG-CG 4.25Å; M633-L698 HydrophobicContact SD-CD2 3.94Å
634	E	98.9	Very high	98.8	Very high	10 Å²	10	22.9 Å²	22.9	5%	0.047	11%	0.107	C	C	.	.	H	α-helix	trans	-54.9	-52.6	169.4	-178.7	-176	-163.4	0	0	110.2	K505 P630 Y636 M637 Y638 Y697	K505-E634 IonicContact NZ-OE1 3.68Å; P630-E634 PolarHBondContact O-N 3.39Å; E634-Y636 VanDerWaalsContact C-N 3.32Å; E634-Y636 PolarHBondContact O-N 3.41Å; E634-M637 WeakPolarHBondContact O-CA 3.03Å; E634-M637 WeakPolarHBondContact O-CB 3.42Å; E634-M637 PolarHBondContact O-N 3.4Å; E634-Y638 HydrophobicContact CG-CD2 3.84Å; E634-Y638 HydrophobicContact CG-CE2 3.5Å; E634-Y638 VanDerWaalsContact CG-CE2 3.5Å; E634-Y638 WeakPolarHBondContact O-CD2 3.49Å; E634-Y638 PolarHBondContact O-N 2.73Å; E634-Y638 VanDerWaalsContact O-N 3.09Å; E634-Y638 WeakPolarHBondContact OE1-CE2 3.28Å; E634-Y697 HydrophobicContact CB-CD2 3.8Å; E634-Y697 HydrophobicContact CB-CE1 4.43Å; E634-Y697 HydrophobicContact CB-CE2 3.6Å; E634-Y697 HydrophobicContact CB-CG 4.29Å; E634-Y697 HydrophobicContact CG-CD2 4.39Å; E634-Y697 HydrophobicContact CG-CE1 4.02Å; E634-Y697 HydrophobicContact CG-CE2 3.83Å; E634-Y697 PolarHBondContact OE1-OH 2.58Å
635	T	98.9	Very high	98.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.2	-40.4	176.5	-81.8	0	0	0	0	112.3	C560 F561 G564 A589 E631 M637 M639	C560-T635 PolarHBondContact O-OG1 3.32Å; F561-T635 PolarHBondContact O-OG1 2.9Å; G564-T635 PolarHBondContact N-OG1 3.48Å; A589-T635 HydrophobicContact CB-CG2 3.49Å; A589-T635 VanDerWaalsContact CB-CG2 3.49Å; E631-T635 PolarHBondContact O-N 3.39Å; T635-M637 VanDerWaalsContact C-N 3.29Å; T635-M637 PolarHBondContact O-N 2.96Å; T635-M639 HydrophobicContact CG2-CG 4.22Å; T635-M639 VanDerWaalsContact O-CB 3.25Å; T635-M639 WeakPolarHBondContact O-CB 2.99Å; T635-M639 WeakPolarHBondContact O-CG 3.38Å; T635-M639 PolarHBondContact O-N 2.99Å
636	Y	98.9	Very high	98.8	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-65.7	-29	173.8	-62.5	-15.7	0	0	0	113.3	H593 V632 M633 E634 W640 Y648 W651 A652	H593-Y636 VanDerWaalsContact CA-OH 3.23Å; H593-Y636 WeakPolarHBondContact CA-OH 3.1Å; H593-Y636 VanDerWaalsContact CB-OH 3.32Å; H593-Y636 WeakPolarHBondContact CB-OH 3.47Å; H593-Y636 PolarHBondContact CD2-OH 2.03Å; V632-Y636 HydrophobicContact CG1-CD2 4.4Å; V632-Y636 HydrophobicContact CG1-CE1 3.88Å; V632-Y636 HydrophobicContact CG1-CE2 3.67Å; V632-Y636 VanDerWaalsContact CG1-OH 3.28Å; V632-Y636 WeakPolarHBondContact CG1-OH 3.42Å; V632-Y636 WeakPolarHBondContact O-CD1 3.33Å; V632-Y636 VanDerWaalsContact O-CG 3.22Å; V632-Y636 PolarHBondContact O-N 3.48Å; M633-Y636 HydrophobicContact CE-CD2 4.31Å; M633-Y636 HydrophobicContact CE-CE2 3.96Å; M633-Y636 PolarHBondContact O-N 3.25Å; M633-Y636 HydrophobicContact SD-CD2 3.83Å; M633-Y636 HydrophobicContact SD-CE2 4.06Å; E634-Y636 VanDerWaalsContact C-N 3.32Å; E634-Y636 PolarHBondContact O-N 3.41Å; Y636-W640 WeakPolarHBondContact O-CB 3.48Å; Y636-W640 PolarHBondContact O-N 2.64Å; Y636-Y648 HydrophobicContact CD1-CD1 4Å; Y636-W651 HydrophobicContact CD1-CE3 4.23Å; Y636-W651 HydrophobicContact CD2-CB 4.14Å; Y636-W651 HydrophobicContact CE1-CB 4.34Å; Y636-W651 AromaticContact CE1-CE3 3.69Å; Y636-W651 HydrophobicContact CE1-CE3 3.69Å; Y636-W651 HydrophobicContact CE1-CZ3 4.4Å; Y636-W651 HydrophobicContact CE2-CB 3.63Å; Y636-A652 HydrophobicContact CD2-CB 4.11Å
637	M	98.9	Very high	98.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.5	-53.5	176.3	-171	-75.7	-66.6	0	0	111.1	M633 E634 T635 M639 W640 R641 Y697 L700 I701 F715	M633-M637 PolarHBondContact O-N 3.08Å; E634-M637 WeakPolarHBondContact O-CA 3.03Å; E634-M637 WeakPolarHBondContact O-CB 3.42Å; E634-M637 PolarHBondContact O-N 3.4Å; T635-M637 VanDerWaalsContact C-N 3.29Å; T635-M637 PolarHBondContact O-N 2.96Å; M637-M639 PolarHBondContact O-N 2.77Å; M637-W640 PolarHBondContact O-N 3.14Å; M637-R641 PolarHBondContact O-N 2.79Å; M637-R641 HydrophobicContact SD-CG 4.29Å; M637-Y697 HydrophobicContact CB-CD1 4.24Å; M637-Y697 HydrophobicContact CE-CD1 3.9Å; M637-Y697 HydrophobicContact CE-CE1 3.92Å; M637-Y697 HydrophobicContact CG-CD1 4.19Å; M637-L700 HydrophobicContact CG-CB 4.09Å; M637-I701 HydrophobicContact CB-CD1 4.05Å; M637-I701 HydrophobicContact CB-CG1 3.73Å; M637-I701 HydrophobicContact CG-CG1 4.1Å; M637-F715 HydrophobicContact CE-CD2 4.36Å; M637-F715 HydrophobicContact CE-CE2 4.07Å; M637-F715 HydrophobicContact CE-CZ 4.48Å
638	Y	98.9	Very high	98.8	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-62.1	-45.1	176	-70	-70.7	0	0	0	111.8	L568 E634 W640 R641 L642 L710	L568-Y638 HydrophobicContact CB-CD1 4.26Å; L568-Y638 HydrophobicContact CB-CE1 4.44Å; L568-Y638 HydrophobicContact CD1-CD1 4.17Å; L568-Y638 HydrophobicContact CD1-CE1 3.98Å; L568-Y638 HydrophobicContact CD2-CD1 4.48Å; L568-Y638 HydrophobicContact CD2-CE1 3.84Å; L568-Y638 HydrophobicContact CG-CE1 4.31Å; E634-Y638 HydrophobicContact CG-CD2 3.84Å; E634-Y638 HydrophobicContact CG-CE2 3.5Å; E634-Y638 VanDerWaalsContact CG-CE2 3.5Å; E634-Y638 WeakPolarHBondContact O-CD2 3.49Å; E634-Y638 PolarHBondContact O-N 2.73Å; E634-Y638 VanDerWaalsContact O-N 3.09Å; E634-Y638 WeakPolarHBondContact OE1-CE2 3.28Å; Y638-W640 VanDerWaalsContact C-N 3.33Å; Y638-W640 PolarHBondContact O-N 2.68Å; Y638-R641 PolarHBondContact O-N 2.88Å; Y638-L642 VanDerWaalsContact O-CB 3.28Å; Y638-L642 WeakPolarHBondContact O-CB 3.29Å; Y638-L642 VanDerWaalsContact O-CG 3.25Å; Y638-L642 WeakPolarHBondContact O-CG 3.45Å; Y638-L642 PolarHBondContact O-N 3.23Å; Y638-L710 HydrophobicContact CD1-CD1 4.11Å; Y638-L710 HydrophobicContact CE1-CD1 4.41Å; Y638-L710 HydrophobicContact CE1-CD2 4.11Å
639	M	98.9	Very high	98.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-64.9	-35.1	178.2	-69.4	-53	-49.5	0	0	112.7	A567 A586 A589 T635 M637 T643 Y648	A567-M639 HydrophobicContact CB-SD 3.48Å; A567-M639 WeakPolarHBondContact CB-SD 3.27Å; A586-M639 HydrophobicContact CB-CE 3.77Å; A589-M639 HydrophobicContact CB-CG 4.12Å; T635-M639 HydrophobicContact CG2-CG 4.22Å; T635-M639 VanDerWaalsContact O-CB 3.25Å; T635-M639 WeakPolarHBondContact O-CB 2.99Å; T635-M639 WeakPolarHBondContact O-CG 3.38Å; T635-M639 PolarHBondContact O-N 2.99Å; M637-M639 PolarHBondContact O-N 2.77Å; M639-T643 HydrophobicContact CE-CG2 3.67Å; M639-T643 WeakPolarHBondContact O-CB 3.4Å; M639-T643 PolarHBondContact O-N 2.86Å; M639-T643 PolarHBondContact O-OG1 2.94Å; M639-Y648 HydrophobicContact CB-CD1 3.7Å; M639-Y648 HydrophobicContact CB-CD2 3.8Å; M639-Y648 HydrophobicContact CB-CE1 3.58Å; M639-Y648 HydrophobicContact CB-CE2 3.7Å; M639-Y648 HydrophobicContact CB-CG 3.82Å; M639-Y648 HydrophobicContact CE-CE2 4.15Å; M639-Y648 HydrophobicContact CG-CD1 4.45Å; M639-Y648 HydrophobicContact CG-CE1 3.96Å
640	W	98.9	Very high	98.8	Very high	20 Å²	20	32 Å²	32	8%	0.076	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-57	171.8	165.2	-103.2	0	0	0	110.8	Y636 M637 Y638 L642 T643 H644 R649	Y636-W640 WeakPolarHBondContact O-CB 3.48Å; Y636-W640 PolarHBondContact O-N 2.64Å; M637-W640 PolarHBondContact O-N 3.14Å; Y638-W640 VanDerWaalsContact C-N 3.33Å; Y638-W640 PolarHBondContact O-N 2.68Å; W640-L642 PolarHBondContact O-N 3.26Å; W640-T643 PolarHBondContact O-N 2.79Å; W640-H644 HydrophobicContact CH2-CB 4.29Å; W640-H644 AromaticContact CZ2-CD2 3.85Å; W640-H644 HydrophobicContact CZ3-CB 4.44Å; W640-H644 VanDerWaalsContact CZ3-O 3.31Å; W640-H644 WeakPolarHBondContact CZ3-O 3.47Å; W640-H644 VanDerWaalsContact O-CA 3.23Å; W640-H644 WeakPolarHBondContact O-CA 3.37Å; W640-H644 PolarHBondContact O-N 2.99Å; W640-R649 HydrophobicContact CD2-CG 3.87Å; W640-R649 VanDerWaalsContact CE2-CZ 3.46Å; W640-R649 VanDerWaalsContact CE2-NE 3.33Å; W640-R649 HydrophobicContact CE3-CB 4.43Å; W640-R649 HydrophobicContact CE3-CG 3.77Å; W640-R649 HydrophobicContact CG-CG 4.37Å; W640-R649 HydrophobicContact CZ3-CG 4.2Å
641	R	98.6	Very high	98.8	Very high	14 Å²	14	33.5 Å²	33.5	5%	0.053	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-47.1	-175.7	-67	-161.7	153.7	171.2	-4.7	112.4	M637 Y638 T643 H644 D704 D705 L707 L708 L710	M637-R641 PolarHBondContact O-N 2.79Å; M637-R641 HydrophobicContact SD-CG 4.29Å; Y638-R641 PolarHBondContact O-N 2.88Å; R641-T643 VanDerWaalsContact C-N 3.32Å; R641-T643 PolarHBondContact O-N 2.96Å; R641-H644 PolarHBondContact O-CE1 2.81Å; R641-H644 PolarHBondContact O-ND1 2.81Å; R641-D704 PolarHBondContact NH2-O 3.41Å; R641-D705 WeakPolarHBondContact CG-OD1 3.38Å; R641-D705 IonicContact NE-OD1 2.69Å; R641-D705 PolarHBondContact NE-OD1 3.03Å; R641-L707 PolarHBondContact NH1-O 3.1Å; R641-L707 PolarHBondContact NH2-O 3.22Å; R641-L708 PolarHBondContact NH1-O 2.9Å; R641-L710 HydrophobicContact CB-CD1 4.16Å
642	L	98.6	Very high	98.8	Very high	70 Å²	70	32.8 Å²	32.8	37%	0.366	16%	0.161	S	C	.	.	H	α-helix	trans	-76.6	-11.7	-173.6	-60.7	170.8	0	0	0	114.4	A567 L582 Y638 W640 L710	A567-L642 VanDerWaalsContact C-CD1 3.47Å; A567-L642 HydrophobicContact CB-CD1 3.76Å; A567-L642 WeakPolarHBondContact O-CD1 3.39Å; L582-L642 HydrophobicContact CD2-CB 4.25Å; Y638-L642 VanDerWaalsContact O-CB 3.28Å; Y638-L642 WeakPolarHBondContact O-CB 3.29Å; Y638-L642 VanDerWaalsContact O-CG 3.25Å; Y638-L642 WeakPolarHBondContact O-CG 3.45Å; Y638-L642 PolarHBondContact O-N 3.23Å; W640-L642 PolarHBondContact O-N 3.26Å; L642-L710 HydrophobicContact CD2-CD1 4.39Å
643	T	98.6	Very high	98.8	Very high	58 Å²	58	34.9 Å²	34.9	36%	0.356	17%	0.169	S	C	.	.	H	α-helix	trans	-130.7	-20.3	-179.7	73.6	0	0	0	0	115.5	M639 W640 R641 D645	M639-T643 HydrophobicContact CE-CG2 3.67Å; M639-T643 WeakPolarHBondContact O-CB 3.4Å; M639-T643 PolarHBondContact O-N 2.86Å; M639-T643 PolarHBondContact O-OG1 2.94Å; W640-T643 PolarHBondContact O-N 2.79Å; R641-T643 VanDerWaalsContact C-N 3.32Å; R641-T643 PolarHBondContact O-N 2.96Å; T643-D645 PolarHBondContact O-N 3.25Å; T643-D645 VanDerWaalsContact O-N 3.1Å; T643-D645 PolarHBondContact OG1-N 3.18Å
644	H	98.6	Very high	98.8	Very high	104 Å²	104	37.4 Å²	37.4	48%	0.481	18%	0.181	S	C	.	.			trans	53.1	20.2	-170.7	-76.8	58.4	0	0	0	114.7	W640 R641 P646 D705	W640-H644 HydrophobicContact CH2-CB 4.29Å; W640-H644 AromaticContact CZ2-CD2 3.85Å; W640-H644 HydrophobicContact CZ3-CB 4.44Å; W640-H644 VanDerWaalsContact CZ3-O 3.31Å; W640-H644 WeakPolarHBondContact CZ3-O 3.47Å; W640-H644 VanDerWaalsContact O-CA 3.23Å; W640-H644 WeakPolarHBondContact O-CA 3.37Å; W640-H644 PolarHBondContact O-N 2.99Å; R641-H644 PolarHBondContact O-CE1 2.81Å; R641-H644 PolarHBondContact O-ND1 2.81Å; H644-P646 WeakPolarHBondContact O-CD 3.28Å; H644-D705 IonicContact CE1-OD2 3.87Å; H644-D705 PolarHBondContact CE1-OD2 2.99Å; H644-D705 IonicContact NE2-OD2 2.67Å
645	D	98.8	Very high	98.8	Very high	53 Å²	53	37 Å²	37	28%	0.283	18%	0.18	S	C	.	.			trans	-70.2	118.8	176.1	-176.3	-26.9	0	0	0	110.2	T643 K647 Y648	T643-D645 PolarHBondContact O-N 3.25Å; T643-D645 VanDerWaalsContact O-N 3.1Å; T643-D645 PolarHBondContact OG1-N 3.18Å; D645-K647 PolarHBondContact O-N 2.83Å; D645-K647 WeakPolarHBondContact OD1-CB 3.48Å; D645-K647 VanDerWaalsContact OD1-CG 3.27Å; D645-K647 WeakPolarHBondContact OD1-CG 3.34Å; D645-K647 PolarHBondContact OD1-N 3.23Å; D645-K647 WeakPolarHBondContact OD2-CD 3.49Å; D645-K647 WeakPolarHBondContact OD2-CE 3.45Å; D645-K647 IonicContact OD2-NZ 3.62Å; D645-K647 PolarHBondContact OD2-NZ 3.09Å; D645-Y648 HydrophobicContact CB-CD2 3.86Å; D645-Y648 HydrophobicContact CB-CE2 3.79Å; D645-Y648 WeakPolarHBondContact O-CD2 3.42Å; D645-Y648 PolarHBondContact O-N 3.49Å
646	P	98.6	Very high	98.8	Very high	96 Å²	96	37.1 Å²	37.1	62%	0.623	18%	0.18	S	C	*	.	H	α-helix	trans	-64.2	-12.9	-175.5	27.5	-36.1	0	0	0	113.9	H644 Y648 R649 K650	H644-P646 WeakPolarHBondContact O-CD 3.28Å; P646-Y648 PolarHBondContact O-N 3.1Å; P646-R649 PolarHBondContact O-N 3.09Å; P646-K650 PolarHBondContact O-N 2.92Å
647	K	98.8	Very high	98.8	Very high	65 Å²	65	41.5 Å²	41.5	28%	0.283	20%	0.201	S	C	.	.	H	α-helix	trans	-61.2	-33.2	174.6	83.1	-171.3	-176.7	-110	0	112.2	D645 K650 W651	D645-K647 PolarHBondContact O-N 2.83Å; D645-K647 WeakPolarHBondContact OD1-CB 3.48Å; D645-K647 VanDerWaalsContact OD1-CG 3.27Å; D645-K647 WeakPolarHBondContact OD1-CG 3.34Å; D645-K647 PolarHBondContact OD1-N 3.23Å; D645-K647 WeakPolarHBondContact OD2-CD 3.49Å; D645-K647 WeakPolarHBondContact OD2-CE 3.45Å; D645-K647 IonicContact OD2-NZ 3.62Å; D645-K647 PolarHBondContact OD2-NZ 3.09Å; K647-K650 WeakPolarHBondContact O-CA 3.47Å; K647-K650 WeakPolarHBondContact O-CB 3.37Å; K647-K650 PolarHBondContact O-N 2.87Å; K647-K650 VanDerWaalsContact O-N 3.13Å; K647-W651 HydrophobicContact CB-CZ2 4.42Å; K647-W651 HydrophobicContact CD-CH2 3.8Å; K647-W651 HydrophobicContact CD-CZ2 3.89Å; K647-W651 HydrophobicContact CD-CZ3 4.34Å; K647-W651 HydrophobicContact CG-CD2 4.42Å; K647-W651 HydrophobicContact CG-CE3 4.42Å; K647-W651 HydrophobicContact CG-CH2 4.14Å; K647-W651 HydrophobicContact CG-CZ2 4.1Å; K647-W651 HydrophobicContact CG-CZ3 4.3Å; K647-W651 PolarHBondContact O-N 2.96Å
648	Y	98.9	Very high	98.8	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-69.3	-41.3	179	-60.8	-65.4	0	0	0	111.7	A586 A589 Y636 M639 D645 P646 K650 W651 A652	A586-Y648 WeakPolarHBondContact CB-OH 3.32Å; A589-Y648 HydrophobicContact CB-CE1 3.86Å; Y636-Y648 HydrophobicContact CD1-CD1 4Å; M639-Y648 HydrophobicContact CB-CD1 3.7Å; M639-Y648 HydrophobicContact CB-CD2 3.8Å; M639-Y648 HydrophobicContact CB-CE1 3.58Å; M639-Y648 HydrophobicContact CB-CE2 3.7Å; M639-Y648 HydrophobicContact CB-CG 3.82Å; M639-Y648 HydrophobicContact CE-CE2 4.15Å; M639-Y648 HydrophobicContact CG-CD1 4.45Å; M639-Y648 HydrophobicContact CG-CE1 3.96Å; D645-Y648 HydrophobicContact CB-CD2 3.86Å; D645-Y648 HydrophobicContact CB-CE2 3.79Å; D645-Y648 WeakPolarHBondContact O-CD2 3.42Å; D645-Y648 PolarHBondContact O-N 3.49Å; P646-Y648 PolarHBondContact O-N 3.1Å; Y648-K650 VanDerWaalsContact C-N 3.27Å; Y648-K650 PolarHBondContact O-N 2.97Å; Y648-W651 AromaticContact CD1-CE3 3.8Å; Y648-W651 HydrophobicContact CD1-CE3 3.8Å; Y648-W651 AromaticContact CD1-CZ3 3.95Å; Y648-W651 HydrophobicContact CD1-CZ3 3.95Å; Y648-W651 AromaticContact CE1-CE3 3.97Å; Y648-W651 HydrophobicContact CE1-CE3 3.97Å; Y648-W651 AromaticContact CE1-CZ3 3.61Å; Y648-W651 HydrophobicContact CE1-CZ3 3.61Å; Y648-W651 PolarHBondContact O-N 3.2Å; Y648-A652 VanDerWaalsContact O-CB 3.27Å; Y648-A652 WeakPolarHBondContact O-CB 3.33Å; Y648-A652 PolarHBondContact O-N 3.36Å
649	R	98.8	Very high	98.8	Very high	35 Å²	35	41.6 Å²	41.6	13%	0.132	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-26.3	168.9	-85.7	-179.2	168.3	179.7	-1.2	113.3	W640 P646 W653 I701 F702 S703	W640-R649 HydrophobicContact CD2-CG 3.87Å; W640-R649 VanDerWaalsContact CE2-CZ 3.46Å; W640-R649 VanDerWaalsContact CE2-NE 3.33Å; W640-R649 HydrophobicContact CE3-CB 4.43Å; W640-R649 HydrophobicContact CE3-CG 3.77Å; W640-R649 HydrophobicContact CG-CG 4.37Å; W640-R649 HydrophobicContact CZ3-CG 4.2Å; P646-R649 PolarHBondContact O-N 3.09Å; R649-W653 PolarHBondContact O-N 3.03Å; R649-I701 HydrophobicContact CG-CG2 3.75Å; R649-I701 VanDerWaalsContact CZ-O 3.23Å; R649-I701 PolarHBondContact NE-O 3.1Å; R649-I701 PolarHBondContact NH2-O 2.89Å; R649-F702 HydrophobicContact CB-CE1 4.06Å; R649-F702 HydrophobicContact CG-CD1 4.35Å; R649-F702 HydrophobicContact CG-CE1 4.04Å; R649-F702 VanDerWaalsContact O-CZ 3.29Å; R649-F702 WeakPolarHBondContact O-CZ 3.45Å; R649-S703 PolarHBondContact NH2-O 2.91Å
650	K	98.9	Very high	98.8	Very high	122 Å²	122	43.3 Å²	43.3	53%	0.53	21%	0.21	S	C	.	.	H	α-helix	trans	-73.3	-52	172.5	-174.8	178.1	-179.5	-76.4	0	111.2	P646 K647 Y648 A652 W653 E654	P646-K650 PolarHBondContact O-N 2.92Å; K647-K650 WeakPolarHBondContact O-CA 3.47Å; K647-K650 WeakPolarHBondContact O-CB 3.37Å; K647-K650 PolarHBondContact O-N 2.87Å; K647-K650 VanDerWaalsContact O-N 3.13Å; Y648-K650 VanDerWaalsContact C-N 3.27Å; Y648-K650 PolarHBondContact O-N 2.97Å; K650-A652 PolarHBondContact O-N 2.92Å; K650-W653 WeakPolarHBondContact O-CB 3.45Å; K650-W653 PolarHBondContact O-N 2.95Å; K650-E654 IonicContact NZ-OE1 2.66Å; K650-E654 PolarHBondContact NZ-OE1 3.35Å; K650-E654 WeakPolarHBondContact O-CG 3.42Å; K650-E654 PolarHBondContact O-N 2.99Å
651	W	98.9	Very high	98.8	Very high	32 Å²	32	47.7 Å²	47.7	12%	0.121	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-38.3	-179.3	-61.3	-19.1	0	0	0	113	R590 H593 Y636 K647 Y648 W653 E654 A655	R590-W651 HydrophobicContact CB-CH2 4.32Å; H593-W651 HydrophobicContact CB-CD2 4Å; H593-W651 HydrophobicContact CB-CE3 3.91Å; H593-W651 HydrophobicContact CB-CH2 4.34Å; H593-W651 HydrophobicContact CB-CZ2 4.43Å; H593-W651 HydrophobicContact CB-CZ3 4.07Å; H593-W651 AromaticContact CD2-CD1 3.45Å; H593-W651 VanDerWaalsContact CD2-CD1 3.45Å; H593-W651 AromaticContact CD2-CD2 3.7Å; H593-W651 AromaticContact CD2-CG 3.33Å; H593-W651 AromaticContact CD2-NE1 3.87Å; H593-W651 AromaticContact CE1-CD1 3.53Å; H593-W651 AromaticContact CE1-CE2 3.96Å; H593-W651 AromaticContact CE1-NE1 3.4Å; H593-W651 PolarHBondContact CE1-NE1 2.99Å; H593-W651 AromaticContact CG-CD1 3.91Å; H593-W651 AromaticContact CG-CD2 3.63Å; H593-W651 AromaticContact CG-CE2 3.69Å; H593-W651 AromaticContact CG-CG 3.79Å; H593-W651 AromaticContact CG-NE1 3.85Å; H593-W651 AromaticContact ND1-CD1 3.97Å; H593-W651 AromaticContact ND1-CE2 3.66Å; H593-W651 AromaticContact ND1-NE1 3.58Å; H593-W651 AromaticContact NE2-CD1 3.18Å; H593-W651 AromaticContact NE2-CG 3.58Å; H593-W651 AromaticContact NE2-NE1 3.57Å; Y636-W651 HydrophobicContact CD1-CE3 4.23Å; Y636-W651 HydrophobicContact CD2-CB 4.14Å; Y636-W651 HydrophobicContact CE1-CB 4.34Å; Y636-W651 AromaticContact CE1-CE3 3.69Å; Y636-W651 HydrophobicContact CE1-CE3 3.69Å; Y636-W651 HydrophobicContact CE1-CZ3 4.4Å; Y636-W651 HydrophobicContact CE2-CB 3.63Å; K647-W651 HydrophobicContact CB-CZ2 4.42Å; K647-W651 HydrophobicContact CD-CH2 3.8Å; K647-W651 HydrophobicContact CD-CZ2 3.89Å; K647-W651 HydrophobicContact CD-CZ3 4.34Å; K647-W651 HydrophobicContact CG-CD2 4.42Å; K647-W651 HydrophobicContact CG-CE3 4.42Å; K647-W651 HydrophobicContact CG-CH2 4.14Å; K647-W651 HydrophobicContact CG-CZ2 4.1Å; K647-W651 HydrophobicContact CG-CZ3 4.3Å; K647-W651 PolarHBondContact O-N 2.96Å; Y648-W651 AromaticContact CD1-CE3 3.8Å; Y648-W651 HydrophobicContact CD1-CE3 3.8Å; Y648-W651 AromaticContact CD1-CZ3 3.95Å; Y648-W651 HydrophobicContact CD1-CZ3 3.95Å; Y648-W651 AromaticContact CE1-CE3 3.97Å; Y648-W651 HydrophobicContact CE1-CE3 3.97Å; Y648-W651 AromaticContact CE1-CZ3 3.61Å; Y648-W651 HydrophobicContact CE1-CZ3 3.61Å; Y648-W651 PolarHBondContact O-N 3.2Å; W651-W653 VanDerWaalsContact C-N 3.28Å; W651-W653 PolarHBondContact O-N 3.34Å; W651-E654 PolarHBondContact O-N 2.98Å; W651-A655 PolarHBondContact O-N 2.74Å; W651-A655 VanDerWaalsContact O-N 3.16Å
652	A	98.9	Very high	98.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-34.5	171.6	0	0	0	0	0	112.6	Y636 Y648 K650 V656 L698 I701 F702	Y636-A652 HydrophobicContact CD2-CB 4.11Å; Y648-A652 VanDerWaalsContact O-CB 3.27Å; Y648-A652 WeakPolarHBondContact O-CB 3.33Å; Y648-A652 PolarHBondContact O-N 3.36Å; K650-A652 PolarHBondContact O-N 2.92Å; A652-V656 WeakPolarHBondContact O-CG2 3.43Å; A652-V656 PolarHBondContact O-N 2.88Å; A652-V656 VanDerWaalsContact O-N 3.09Å; A652-L698 HydrophobicContact CB-CD2 4.01Å; A652-I701 HydrophobicContact CB-CD1 3.87Å; A652-I701 HydrophobicContact CB-CG2 3.88Å; A652-F702 HydrophobicContact CB-CE2 4.14Å; A652-F702 HydrophobicContact CB-CZ 4.14Å
653	W	98.9	Very high	98.8	Very high	44 Å²	44	45 Å²	45	17%	0.167	22%	0.221	C	C	.	.	H	α-helix	trans	-75.3	-38.5	176.6	-169.8	-103.1	0	0	0	113	K279 K282 R649 K650 W651 A655 V656 E657 F702	K279-W653 HydrophobicContact CB-CE3 3.79Å; K279-W653 HydrophobicContact CB-CH2 4.11Å; K279-W653 HydrophobicContact CB-CZ3 3.5Å; K279-W653 VanDerWaalsContact CB-CZ3 3.5Å; K279-W653 HydrophobicContact CD-CD2 3.57Å; K279-W653 HydrophobicContact CD-CE3 3.51Å; K279-W653 HydrophobicContact CD-CG 4.02Å; K279-W653 HydrophobicContact CD-CZ3 4.01Å; K279-W653 VanDerWaalsContact CE-CD2 3.49Å; K279-W653 HydrophobicContact CG-CD2 3.87Å; K279-W653 HydrophobicContact CG-CE3 3.51Å; K279-W653 HydrophobicContact CG-CH2 3.71Å; K279-W653 HydrophobicContact CG-CZ2 4.06Å; K279-W653 HydrophobicContact CG-CZ3 3.43Å; K279-W653 VanDerWaalsContact CG-CZ3 3.43Å; K279-W653 VanDerWaalsContact NZ-CD1 3.25Å; K282-W653 HydrophobicContact CB-CH2 4.07Å; K282-W653 HydrophobicContact CB-CZ3 4.48Å; K282-W653 HydrophobicContact CG-CH2 3.97Å; R649-W653 PolarHBondContact O-N 3.03Å; K650-W653 WeakPolarHBondContact O-CB 3.45Å; K650-W653 PolarHBondContact O-N 2.95Å; W651-W653 VanDerWaalsContact C-N 3.28Å; W651-W653 PolarHBondContact O-N 3.34Å; W653-A655 PolarHBondContact O-N 3.04Å; W653-V656 HydrophobicContact CD2-CB 4.4Å; W653-V656 HydrophobicContact CE3-CB 3.91Å; W653-V656 HydrophobicContact CE3-CG1 3.91Å; W653-V656 HydrophobicContact CE3-CG2 4.18Å; W653-V656 HydrophobicContact CH2-CG1 3.94Å; W653-V656 HydrophobicContact CZ3-CB 4.12Å; W653-V656 HydrophobicContact CZ3-CG1 3.59Å; W653-V656 HydrophobicContact CZ3-CG2 4.4Å; W653-V656 WeakPolarHBondContact O-CB 3.36Å; W653-V656 PolarHBondContact O-N 3.13Å; W653-E657 PolarHBondContact NE1-OE1 2.64Å; W653-E657 WeakPolarHBondContact O-CG 3.42Å; W653-E657 PolarHBondContact O-N 3Å; W653-F702 HydrophobicContact CB-CZ 4Å; W653-F702 HydrophobicContact CE3-CE2 4.24Å; W653-F702 HydrophobicContact CE3-CZ 4.13Å
654	E	98.9	Very high	98.8	Very high	55 Å²	55	45.1 Å²	45.1	26%	0.257	22%	0.215	S	C	.	.	H	α-helix	trans	-55.7	-37.9	171.8	-69.8	165.5	-176.4	0	0	111	H593 K650 W651 A658	H593-E654 IonicContact CD2-OE2 3.1Å; H593-E654 IonicContact CE1-OE2 2.67Å; H593-E654 IonicContact NE2-OE2 3.01Å; H593-E654 PolarHBondContact NE2-OE2 3.44Å; K650-E654 IonicContact NZ-OE1 2.66Å; K650-E654 PolarHBondContact NZ-OE1 3.35Å; K650-E654 WeakPolarHBondContact O-CG 3.42Å; K650-E654 PolarHBondContact O-N 2.99Å; W651-E654 PolarHBondContact O-N 2.98Å; E654-A658 WeakPolarHBondContact O-CB 3.28Å; E654-A658 PolarHBondContact O-N 3.4Å
655	A	98.9	Very high	98.8	Very high	2 Å²	2	41 Å²	41	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-72.4	-35.3	173.8	0	0	0	0	0	113.8	Y596 M633 W651 W653 A658 L659	Y596-A655 HydrophobicContact CD1-CB 4.46Å; Y596-A655 HydrophobicContact CE1-CB 4.16Å; M633-A655 HydrophobicContact CE-CB 3.35Å; M633-A655 HydrophobicContact SD-CB 3.7Å; W651-A655 PolarHBondContact O-N 2.74Å; W651-A655 VanDerWaalsContact O-N 3.16Å; W653-A655 PolarHBondContact O-N 3.04Å; A655-A658 PolarHBondContact O-N 2.91Å; A655-L659 WeakPolarHBondContact O-CB 3.31Å; A655-L659 VanDerWaalsContact O-CG 3.28Å; A655-L659 WeakPolarHBondContact O-CG 3.36Å; A655-L659 PolarHBondContact O-N 3.44Å
656	V	98.9	Very high	98.8	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-45.4	171.3	166.8	0	0	0	0	111	I283 M286 A652 W653 A658 L659 E660 L698	I283-V656 HydrophobicContact CD1-CG2 4.34Å; I283-V656 HydrophobicContact CG1-CG2 4.2Å; M286-V656 HydrophobicContact CE-CG1 4.35Å; M286-V656 HydrophobicContact SD-CG1 3.81Å; A652-V656 WeakPolarHBondContact O-CG2 3.43Å; A652-V656 PolarHBondContact O-N 2.88Å; A652-V656 VanDerWaalsContact O-N 3.09Å; W653-V656 HydrophobicContact CD2-CB 4.4Å; W653-V656 HydrophobicContact CE3-CB 3.91Å; W653-V656 HydrophobicContact CE3-CG1 3.91Å; W653-V656 HydrophobicContact CE3-CG2 4.18Å; W653-V656 HydrophobicContact CH2-CG1 3.94Å; W653-V656 HydrophobicContact CZ3-CB 4.12Å; W653-V656 HydrophobicContact CZ3-CG1 3.59Å; W653-V656 HydrophobicContact CZ3-CG2 4.4Å; W653-V656 WeakPolarHBondContact O-CB 3.36Å; W653-V656 PolarHBondContact O-N 3.13Å; V656-A658 VanDerWaalsContact C-N 3.32Å; V656-A658 PolarHBondContact O-N 3.32Å; V656-L659 PolarHBondContact O-N 3.34Å; V656-E660 WeakPolarHBondContact O-CG 3.29Å; V656-E660 PolarHBondContact O-N 2.92Å; V656-L698 HydrophobicContact CG2-CD1 3.84Å; V656-L698 HydrophobicContact CG2-CD2 3.86Å; V656-L698 HydrophobicContact CG2-CG 4.38Å
657	E	98.9	Very high	98.8	Very high	94 Å²	94	40.1 Å²	40.1	44%	0.439	19%	0.188	S	C	.	.	H	α-helix	trans	-62.9	-39.8	176.9	-69.1	174.6	150.3	0	0	111	W653 N661	W653-E657 PolarHBondContact NE1-OE1 2.64Å; W653-E657 WeakPolarHBondContact O-CG 3.42Å; W653-E657 PolarHBondContact O-N 3Å; E657-N661 WeakPolarHBondContact O-CB 3.3Å; E657-N661 PolarHBondContact O-N 2.82Å; E657-N661 PolarHBondContact O-ND2 3.22Å
658	A	98.9	Very high	98.8	Very high	4 Å²	4	37 Å²	37	3%	0.033	17%	0.174	C	C	.	.	H	α-helix	trans	-64.7	-44.2	174.6	0	0	0	0	0	113.5	M601 K602 L603 E654 A655 V656 N661 H662	M601-A658 WeakPolarHBondContact O-CB 3.2Å; K602-A658 HydrophobicContact CB-CB 3.99Å; L603-A658 HydrophobicContact CD1-CB 4.47Å; L603-A658 HydrophobicContact CD2-CB 3.81Å; L603-A658 HydrophobicContact CG-CB 3.86Å; E654-A658 WeakPolarHBondContact O-CB 3.28Å; E654-A658 PolarHBondContact O-N 3.4Å; A655-A658 PolarHBondContact O-N 2.91Å; V656-A658 VanDerWaalsContact C-N 3.32Å; V656-A658 PolarHBondContact O-N 3.32Å; A658-N661 PolarHBondContact O-N 3.38Å; A658-H662 PolarHBondContact O-N 3.24Å
659	L	98.9	Very high	98.8	Very high	1 Å²	1	37 Å²	37	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-42.8	175.8	-76	168.6	0	0	0	111.9	M286 L603 Y626 L628 A655 V656 C663 R664 F690 T694 L698	M286-L659 HydrophobicContact CE-CB 4.06Å; M286-L659 HydrophobicContact CE-CD1 4.31Å; L603-L659 HydrophobicContact CD1-CD2 4.47Å; L603-L659 HydrophobicContact CD2-CD2 4.27Å; L603-L659 HydrophobicContact CD2-CG 4.21Å; Y626-L659 HydrophobicContact CE1-CD2 3.94Å; L628-L659 HydrophobicContact CD2-CD2 4.18Å; A655-L659 WeakPolarHBondContact O-CB 3.31Å; A655-L659 VanDerWaalsContact O-CG 3.28Å; A655-L659 WeakPolarHBondContact O-CG 3.36Å; A655-L659 PolarHBondContact O-N 3.44Å; V656-L659 PolarHBondContact O-N 3.34Å; L659-C663 HydrophobicContact CD2-CB 4.02Å; L659-C663 CarbonylContact O-C 3.6Å; L659-C663 WeakPolarHBondContact O-CA 3.49Å; L659-C663 WeakPolarHBondContact O-CB 3.37Å; L659-C663 PolarHBondContact O-N 2.84Å; L659-R664 PolarHBondContact O-N 2.61Å; L659-F690 HydrophobicContact CD1-CE2 4.09Å; L659-F690 HydrophobicContact CD2-CE2 4.04Å; L659-T694 HydrophobicContact CD1-CG2 4.26Å; L659-L698 HydrophobicContact CD1-CD1 4.16Å
660	E	98.9	Very high	98.8	Very high	37 Å²	37	35.3 Å²	35.3	17%	0.173	17%	0.168	C	C	.	.	H	α-helix	trans	-67.7	-34.7	177.4	-74.9	-63.3	102.3	0	0	113.2	K282 M286 V656 R664 Y669	K282-E660 WeakPolarHBondContact CE-OE2 3.23Å; K282-E660 IonicContact NZ-OE2 3.16Å; K282-E660 PolarHBondContact NZ-OE2 2.69Å; M286-E660 HydrophobicContact CE-CG 4.16Å; M286-E660 WeakPolarHBondContact CG-OE1 3.37Å; M286-E660 HydrophobicContact SD-CG 4.31Å; V656-E660 WeakPolarHBondContact O-CG 3.29Å; V656-E660 PolarHBondContact O-N 2.92Å; E660-R664 WeakPolarHBondContact O-CB 3.41Å; E660-R664 WeakPolarHBondContact OE1-CD 3.17Å; E660-R664 IonicContact OE1-NH1 2.76Å; E660-R664 WeakPolarHBondContact OE2-CD 3.35Å; E660-R664 IonicContact OE2-CZ 2.69Å; E660-R664 IonicContact OE2-NE 2.71Å; E660-R664 IonicContact OE2-NH1 2.79Å; E660-R664 PolarHBondContact OE2-NH1 2.79Å; E660-Y669 VanDerWaalsContact OE1-CE1 3.28Å; E660-Y669 WeakPolarHBondContact OE1-CE1 3.13Å; E660-Y669 PolarHBondContact OE1-OH 2.8Å
661	N	98.6	Very high	98.8	Very high	112 Å²	112	29.5 Å²	29.5	60%	0.599	14%	0.142	S	C	*	.	H	α-helix	trans	-79.7	-38.2	-179.4	-71.7	-31.7	0	0	0	113.4	E657 A658	E657-N661 WeakPolarHBondContact O-CB 3.3Å; E657-N661 PolarHBondContact O-N 2.82Å; E657-N661 PolarHBondContact O-ND2 3.22Å; A658-N661 PolarHBondContact O-N 3.38Å
662	H	98.8	Very high	98.8	Very high	29 Å²	29	28 Å²	28	13%	0.134	14%	0.137	C	C	.	.	H	α-helix	trans	-121.3	-19.3	-167.3	-57.4	-63.8	0	0	0	115.4	M601 A658 L672 E680 Y682	M601-H662 HydrophobicContact CB-CB 4.27Å; M601-H662 HydrophobicContact CG-CB 4.41Å; M601-H662 PolarHBondContact O-CD2 2.61Å; M601-H662 VanDerWaalsContact O-CD2 3.32Å; M601-H662 HydrophobicContact SD-CB 4.37Å; A658-H662 PolarHBondContact O-N 3.24Å; H662-L672 HydrophobicContact CB-CD1 4.06Å; H662-E680 HydrophobicContact CB-CG 4.26Å; H662-E680 IonicContact CE1-OE1 3.4Å; H662-E680 IonicContact CG-OE1 3.79Å; H662-E680 IonicContact ND1-OE1 3.07Å; H662-E680 PolarHBondContact ND1-OE1 2.58Å; H662-Y682 WeakPolarHBondContact O-CE1 3.34Å
663	C	98.9	Very high	98.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-27.8	177.9	-76.4	0	0	0	0	113.3	L628 L659 V665 Y669 S670 L672	L628-C663 HydrophobicContact CD2-CB 3.72Å; L628-C663 VanDerWaalsContact CD2-SG 3.57Å; L659-C663 HydrophobicContact CD2-CB 4.02Å; L659-C663 CarbonylContact O-C 3.6Å; L659-C663 WeakPolarHBondContact O-CA 3.49Å; L659-C663 WeakPolarHBondContact O-CB 3.37Å; L659-C663 PolarHBondContact O-N 2.84Å; C663-V665 PolarHBondContact O-N 3.2Å; C663-Y669 HydrophobicContact CB-CD1 4.26Å; C663-Y669 CarbonylContact O-C 3.52Å; C663-Y669 VanDerWaalsContact O-CA 3.28Å; C663-Y669 WeakPolarHBondContact O-CA 3.4Å; C663-S670 PolarHBondContact O-N 2.83Å; C663-S670 PolarHBondContact SG-O 2.87Å; C663-S670 VanDerWaalsContact SG-O 3.34Å; C663-L672 VanDerWaalsContact SG-CD1 3.54Å
664	R	98.9	Very high	98.8	Very high	59 Å²	59	32.7 Å²	32.7	22%	0.223	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	125.1	-179	-168	173.5	-176.3	156.2	0.8	111.5	E285 H289 L659 E660 Y669	E285-R664 IonicContact OE1-CZ 2.76Å; E285-R664 IonicContact OE1-NH1 2.74Å; E285-R664 PolarHBondContact OE1-NH1 3.04Å; E285-R664 IonicContact OE1-NH2 2.9Å; E285-R664 PolarHBondContact OE1-NH2 2.87Å; E285-R664 IonicContact OE2-CZ 3.82Å; E285-R664 IonicContact OE2-NH1 3.17Å; E285-R664 PolarHBondContact OE2-NH1 3.12Å; E285-R664 IonicContact OE2-NH2 3.6Å; H289-R664 VanDerWaalsContact CB-NH2 3.34Å; H289-R664 PolarHBondContact ND1-NH2 3.2Å; L659-R664 PolarHBondContact O-N 2.61Å; E660-R664 WeakPolarHBondContact O-CB 3.41Å; E660-R664 WeakPolarHBondContact OE1-CD 3.17Å; E660-R664 IonicContact OE1-NH1 2.76Å; E660-R664 WeakPolarHBondContact OE2-CD 3.35Å; E660-R664 IonicContact OE2-CZ 2.69Å; E660-R664 IonicContact OE2-NE 2.71Å; E660-R664 IonicContact OE2-NH1 2.79Å; E660-R664 PolarHBondContact OE2-NH1 2.79Å; R664-Y669 HydrophobicContact CB-CD1 3.9Å; R664-Y669 HydrophobicContact CB-CE1 3.53Å; R664-Y669 HydrophobicContact CG-CD1 4.33Å; R664-Y669 HydrophobicContact CG-CE1 3.77Å
665	V	98.8	Very high	98.8	Very high	18 Å²	18	30.1 Å²	30.1	11%	0.109	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	166.5	176.8	-64.6	0	0	0	0	110.8	H289 P306 I307 C663 G667 G668 Y682	H289-V665 PolarHBondContact CE1-O 2.74Å; H289-V665 PolarHBondContact NE2-O 3.5Å; P306-V665 HydrophobicContact CB-CG2 3.71Å; P306-V665 HydrophobicContact CG-CG2 4.16Å; I307-V665 HydrophobicContact CD1-CB 4.09Å; I307-V665 HydrophobicContact CD1-CG1 3.78Å; I307-V665 HydrophobicContact CD1-CG2 3.95Å; C663-V665 PolarHBondContact O-N 3.2Å; V665-G667 PolarHBondContact O-N 3.25Å; V665-G667 VanDerWaalsContact O-N 3.08Å; V665-G668 WeakPolarHBondContact CG2-O 3.37Å; V665-G668 PolarHBondContact N-O 3.31Å; V665-G668 PolarHBondContact O-N 3.44Å; V665-G668 VanDerWaalsContact O-N 3.16Å; V665-Y682 HydrophobicContact CG1-CD1 4.2Å; V665-Y682 HydrophobicContact CG1-CE1 3.55Å; V665-Y682 HydrophobicContact CG1-CE2 4Å; V665-Y682 VanDerWaalsContact CG1-CZ 3.44Å
666	N	98.7	Very high	98.8	Very high	129 Å²	129	32.7 Å²	32.7	69%	0.69	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.8	-176.2	179.4	-104.1	0	0	0	113.8	N293 K309	N293-N666 PolarHBondContact OD1-O 3.38Å; K309-N666 PolarHBondContact NZ-OD1 2.97Å
667	G	98.5	Very high	98.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	20.6	178.8	0	0	0	0	0	115.8	N293 L304 P306 V665	N293-G667 VanDerWaalsContact CB-O 3.3Å; N293-G667 WeakPolarHBondContact CB-O 3.48Å; N293-G667 VanDerWaalsContact CG-C 3.44Å; N293-G667 WeakPolarHBondContact OD1-CA 3.45Å; L304-G667 WeakPolarHBondContact CD2-O 3.21Å; P306-G667 VanDerWaalsContact CA-O 3.28Å; P306-G667 WeakPolarHBondContact CA-O 3.45Å; P306-G667 VanDerWaalsContact CB-O 3.23Å; P306-G667 WeakPolarHBondContact CB-O 3.3Å; P306-G667 VanDerWaalsContact O-CA 3.26Å; P306-G667 WeakPolarHBondContact O-CA 3.48Å; V665-G667 PolarHBondContact O-N 3.25Å; V665-G667 VanDerWaalsContact O-N 3.08Å
668	G	98.8	Very high	98.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.3	-142.2	178.7	0	0	0	0	0	112.9	H289 V665 Q686	H289-G668 PolarHBondContact NE2-O 2.77Å; H289-G668 VanDerWaalsContact NE2-O 3.14Å; V665-G668 WeakPolarHBondContact CG2-O 3.37Å; V665-G668 PolarHBondContact N-O 3.31Å; V665-G668 PolarHBondContact O-N 3.44Å; V665-G668 VanDerWaalsContact O-N 3.16Å; G668-Q686 VanDerWaalsContact CA-OE1 3.32Å
669	Y	98.9	Very high	98.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.2	169.1	-65.1	-98.4	0	0	0	110.4	M286 H289 A290 P306 E660 C663 R664 Q686 F690	M286-Y669 WeakPolarHBondContact CA-OH 3.41Å; M286-Y669 HydrophobicContact CB-CE2 4.49Å; M286-Y669 WeakPolarHBondContact CB-OH 3.45Å; M286-Y669 HydrophobicContact CE-CE1 4.25Å; M286-Y669 WeakPolarHBondContact CG-OH 3.41Å; M286-Y669 WeakPolarHBondContact O-CE2 3.22Å; H289-Y669 HydrophobicContact CB-CE2 4.17Å; H289-Y669 AromaticContact CD2-CD2 3.99Å; H289-Y669 AromaticContact CD2-CE2 3.48Å; H289-Y669 VanDerWaalsContact CD2-CE2 3.48Å; H289-Y669 WeakPolarHBondContact CD2-CE2 3.31Å; H289-Y669 AromaticContact CD2-CZ 4Å; A290-Y669 HydrophobicContact CB-CD2 3.95Å; A290-Y669 HydrophobicContact CB-CE2 4.12Å; P306-Y669 WeakPolarHBondContact CG-O 3.37Å; E660-Y669 VanDerWaalsContact OE1-CE1 3.28Å; E660-Y669 WeakPolarHBondContact OE1-CE1 3.13Å; E660-Y669 PolarHBondContact OE1-OH 2.8Å; C663-Y669 HydrophobicContact CB-CD1 4.26Å; C663-Y669 CarbonylContact O-C 3.52Å; C663-Y669 VanDerWaalsContact O-CA 3.28Å; C663-Y669 WeakPolarHBondContact O-CA 3.4Å; R664-Y669 HydrophobicContact CB-CD1 3.9Å; R664-Y669 HydrophobicContact CB-CE1 3.53Å; R664-Y669 HydrophobicContact CG-CD1 4.33Å; R664-Y669 HydrophobicContact CG-CE1 3.77Å; Y669-Q686 WeakPolarHBondContact O-CA 3.31Å; Y669-Q686 WeakPolarHBondContact O-CB 3.37Å; Y669-Q686 WeakPolarHBondContact O-CG 3.27Å; Y669-F690 HydrophobicContact CD1-CE1 4.04Å; Y669-F690 AromaticContact CD1-CZ 3.82Å; Y669-F690 HydrophobicContact CD1-CZ 3.82Å; Y669-F690 HydrophobicContact CD2-CD1 4.24Å; Y669-F690 AromaticContact CD2-CE1 3.36Å; Y669-F690 HydrophobicContact CD2-CE1 3.36Å; Y669-F690 AromaticContact CD2-CZ 3.99Å; Y669-F690 HydrophobicContact CD2-CZ 3.99Å; Y669-F690 HydrophobicContact CE1-CZ 4.2Å; Y669-F690 AromaticContact CE2-CE1 3.88Å; Y669-F690 HydrophobicContact CE2-CE1 3.88Å; Y669-F690 HydrophobicContact CE2-CZ 4.33Å; Y669-F690 HydrophobicContact CG-CD1 4.33Å; Y669-F690 AromaticContact CG-CE1 3.47Å; Y669-F690 HydrophobicContact CG-CE1 3.47Å; Y669-F690 VanDerWaalsContact CG-CE1 3.47Å; Y669-F690 AromaticContact CG-CZ 3.73Å; Y669-F690 HydrophobicContact CG-CZ 3.73Å
670	S	98.9	Very high	98	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.221	C	C	.	.			trans	-122	147.4	178.6	-154.1	0	0	0	0	111.4	C663 D683 D684 V685	C663-S670 PolarHBondContact O-N 2.83Å; C663-S670 PolarHBondContact SG-O 2.87Å; C663-S670 VanDerWaalsContact SG-O 3.34Å; S670-D683 PolarHBondContact OG-OD1 2.9Å; S670-D684 VanDerWaalsContact OG-CA 3.29Å; S670-D684 WeakPolarHBondContact OG-CA 3.48Å; S670-D684 PolarHBondContact OG-N 2.71Å; S670-V685 PolarHBondContact OG-N 2.68Å
671	G	98.8	Very high	97.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.227	C	C	.	.			trans	-65.2	166	164.6	0	0	0	0	0	113.3	Y626 Y682 D683 V685	Y626-G671 CarbonylContact O-C 3.5Å; Y626-G671 WeakPolarHBondContact O-CA 3.5Å; G671-Y682 CarbonylContact O-C 3.58Å; G671-Y682 WeakPolarHBondContact O-CA 3.3Å; G671-D683 VanDerWaalsContact CA-CG 3.44Å; G671-D683 VanDerWaalsContact CA-OD1 3.3Å; G671-D683 WeakPolarHBondContact CA-OD1 3.49Å; G671-D683 WeakPolarHBondContact CA-OD2 3.39Å; G671-D683 PolarHBondContact N-OD1 2.85Å; G671-D683 PolarHBondContact O-N 2.91Å; G671-D683 VanDerWaalsContact O-OD1 3.13Å; G671-V685 PolarHBondContact N-O 2.67Å
672	L	98.8	Very high	97.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-122.9	135.4	-172.3	-71.2	161	0	0	0	110.4	M601 L603 Y625 Y626 H662 C663 V675 E680 Y682	M601-L672 HydrophobicContact SD-CD1 3.68Å; M601-L672 HydrophobicContact SD-CD2 3.92Å; M601-L672 HydrophobicContact SD-CG 4.28Å; L603-L672 HydrophobicContact CD1-CD1 3.85Å; Y625-L672 CarbonylContact C-O 3.58Å; Y625-L672 WeakPolarHBondContact CA-O 3.25Å; Y625-L672 WeakPolarHBondContact CB-O 3.35Å; Y626-L672 PolarHBondContact N-O 3.03Å; Y626-L672 PolarHBondContact O-N 3.19Å; H662-L672 HydrophobicContact CB-CD1 4.06Å; C663-L672 VanDerWaalsContact SG-CD1 3.54Å; L672-V675 HydrophobicContact CB-CG1 4.47Å; L672-E680 HydrophobicContact CD2-CB 3.94Å; L672-E680 HydrophobicContact CD2-CG 4.17Å; L672-Y682 HydrophobicContact CD2-CD1 4.19Å; L672-Y682 HydrophobicContact CD2-CE1 4.25Å
673	R	98.6	Very high	97.9	Very high	139 Å²	139	44.7 Å²	44.7	53%	0.525	21%	0.212	S	C	.	.	S	Bend	trans	-82.5	-23	-176.3	-64.2	173	-170.1	-84.6	-4.1	114.5	S681 Y682 D683	R673-S681 WeakPolarHBondContact CB-O 3.5Å; R673-S681 VanDerWaalsContact CG-O 3.29Å; R673-S681 WeakPolarHBondContact CG-O 3.25Å; R673-S681 PolarHBondContact N-O 3.09Å; R673-Y682 PolarHBondContact NE-O 2.81Å; R673-Y682 PolarHBondContact NH2-O 2.92Å; R673-D683 PolarHBondContact NH2-O 3.22Å
674	D	98.6	Very high	97.9	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	22%	0.217	C	C	.	.			trans	-155.8	106.9	178.2	-173.2	-26.8	0	0	0	110	M601 Q621 K624 Y676 L677	M601-D674 WeakPolarHBondContact CE-O 3.35Å; Q621-D674 PolarHBondContact NE2-OD2 3.33Å; K624-D674 HydrophobicContact CB-CB 4.48Å; K624-D674 HydrophobicContact CD-CB 4.44Å; K624-D674 VanDerWaalsContact CD-CG 3.42Å; K624-D674 WeakPolarHBondContact CD-OD1 3.38Å; K624-D674 WeakPolarHBondContact CD-OD2 3.43Å; K624-D674 IonicContact NZ-OD1 3.84Å; K624-D674 IonicContact NZ-OD2 2.78Å; K624-D674 PolarHBondContact NZ-OD2 2.91Å; D674-Y676 PolarHBondContact O-N 2.82Å; D674-Y676 WeakPolarHBondContact OD1-CB 3.34Å; D674-Y676 PolarHBondContact OD1-N 3.02Å; D674-L677 HydrophobicContact CB-CD1 3.86Å; D674-L677 HydrophobicContact CB-CG 3.88Å
675	V	98.6	Very high	97.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-0.2	-178.3	-62.6	0	0	0	0	114.8	T599 F600 M601 L603 P605 K624 L672	T599-V675 WeakPolarHBondContact CB-O 3.17Å; T599-V675 HydrophobicContact CG2-CB 4.41Å; T599-V675 HydrophobicContact CG2-CG2 3.63Å; F600-V675 PolarHBondContact N-O 3.32Å; F600-V675 VanDerWaalsContact N-O 3.09Å; M601-V675 PolarHBondContact N-O 3.35Å; M601-V675 VanDerWaalsContact N-O 3.12Å; L603-V675 HydrophobicContact CB-CG1 4.34Å; P605-V675 HydrophobicContact CB-CG2 4.2Å; K624-V675 PolarHBondContact O-N 3.31Å; L672-V675 HydrophobicContact CB-CG1 4.47Å
676	Y	98.4	Very high	97.9	Very high	57 Å²	57	42.5 Å²	42.5	22%	0.224	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-1.3	179.9	-58	-88.6	0	0	0	113.5	T599 P605 I617 A618 K624 D674	T599-Y676 HydrophobicContact CG2-CD1 4.47Å; T599-Y676 HydrophobicContact CG2-CE1 3.78Å; T599-Y676 HydrophobicContact CG2-CE2 4.41Å; P605-Y676 HydrophobicContact CB-CE2 4.31Å; P605-Y676 WeakPolarHBondContact CG-OH 3.3Å; I617-Y676 WeakPolarHBondContact CA-OH 3.23Å; I617-Y676 HydrophobicContact CB-CE1 4.13Å; I617-Y676 WeakPolarHBondContact CB-OH 3.28Å; I617-Y676 HydrophobicContact CG2-CE1 3.93Å; A618-Y676 HydrophobicContact CB-CE2 4Å; A618-Y676 PolarHBondContact N-OH 3.32Å; K624-Y676 HydrophobicContact CB-CD2 4.29Å; K624-Y676 HydrophobicContact CB-CE2 4.35Å; K624-Y676 HydrophobicContact CD-CD2 4.03Å; K624-Y676 HydrophobicContact CG-CD2 4.04Å; K624-Y676 HydrophobicContact CG-CE2 4.07Å; D674-Y676 PolarHBondContact O-N 2.82Å; D674-Y676 WeakPolarHBondContact OD1-CB 3.34Å; D674-Y676 PolarHBondContact OD1-N 3.02Å
677	L	95.5	Very high	97.9	Very high	77 Å²	77	37.9 Å²	37.9	40%	0.403	18%	0.179	S	C	.	.	S	Bend	trans	-83.2	153.1	177.6	-62.3	-179.5	0	0	0	112.5	F600 M601 D674 H679	F600-L677 WeakPolarHBondContact CD1-O 3.17Å; M601-L677 HydrophobicContact CE-CB 4.11Å; M601-L677 WeakPolarHBondContact CE-O 3.32Å; D674-L677 HydrophobicContact CB-CD1 3.86Å; D674-L677 HydrophobicContact CB-CG 3.88Å; L677-H679 WeakPolarHBondContact CB-O 3.5Å; L677-H679 PolarHBondContact O-N 3.46Å
678	L	93.4	Very high	97.9	Very high	112 Å²	112	37.9 Å²	37.9	59%	0.586	18%	0.179	S	C	*	.	S	Bend	trans	-69.3	-18.8	172.6	-177.9	63.8	0	0	0	113.2	F600	F600-L678 HydrophobicContact CE1-CD1 4.12Å; F600-L678 HydrophobicContact CE2-CD1 3.92Å; F600-L678 HydrophobicContact CZ-CD1 3.5Å; F600-L678 VanDerWaalsContact CZ-CD1 3.5Å
679	H	94.1	Very high	97.9	Very high	133 Å²	133	38.7 Å²	38.7	62%	0.616	18%	0.182	S	C	*	.	S	Bend	trans	-135	144.3	-173.9	-61.2	-41	0	0	0	110.4	M601 L677	M601-H679 WeakPolarHBondContact CE-O 3.46Å; L677-H679 WeakPolarHBondContact CB-O 3.5Å; L677-H679 PolarHBondContact O-N 3.46Å
680	E	96.1	Very high	97.9	Very high	68 Å²	68	38.7 Å²	38.7	32%	0.318	18%	0.182	S	C	.	.			trans	-68.8	136.4	-173.1	-61.6	69.3	-150.7	0	0	111.4	H662 L672 Y682	H662-E680 HydrophobicContact CB-CG 4.26Å; H662-E680 IonicContact CE1-OE1 3.4Å; H662-E680 IonicContact CG-OE1 3.79Å; H662-E680 IonicContact ND1-OE1 3.07Å; H662-E680 PolarHBondContact ND1-OE1 2.58Å; L672-E680 HydrophobicContact CD2-CB 3.94Å; L672-E680 HydrophobicContact CD2-CG 4.17Å; E680-Y682 HydrophobicContact CB-CD1 4.45Å; E680-Y682 HydrophobicContact CB-CD2 4.43Å; E680-Y682 HydrophobicContact CB-CE1 3.86Å; E680-Y682 HydrophobicContact CB-CE2 3.79Å; E680-Y682 VanDerWaalsContact CB-CZ 3.47Å; E680-Y682 HydrophobicContact CG-CE1 4.26Å
681	S	97.8	Very high	97.9	Very high	45 Å²	45	38.7 Å²	38.7	32%	0.315	18%	0.182	S	C	.	.			trans	-125.5	86.8	176.4	-166.1	0	0	0	0	108.9	R673	R673-S681 WeakPolarHBondContact CB-O 3.5Å; R673-S681 VanDerWaalsContact CG-O 3.29Å; R673-S681 WeakPolarHBondContact CG-O 3.25Å; R673-S681 PolarHBondContact N-O 3.09Å
682	Y	98.7	Very high	97.9	Very high	70 Å²	70	38.7 Å²	38.7	28%	0.275	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-69.3	143.9	-169.3	-59.8	-66.4	0	0	0	113.8	I307 H662 V665 G671 L672 R673 E680	I307-Y682 HydrophobicContact CD1-CD1 4.34Å; I307-Y682 HydrophobicContact CD1-CD2 3.72Å; I307-Y682 HydrophobicContact CD1-CE2 4.32Å; I307-Y682 HydrophobicContact CD1-CG 3.72Å; I307-Y682 HydrophobicContact CG1-CG 4.33Å; H662-Y682 WeakPolarHBondContact O-CE1 3.34Å; V665-Y682 HydrophobicContact CG1-CD1 4.2Å; V665-Y682 HydrophobicContact CG1-CE1 3.55Å; V665-Y682 HydrophobicContact CG1-CE2 4Å; V665-Y682 VanDerWaalsContact CG1-CZ 3.44Å; G671-Y682 CarbonylContact O-C 3.58Å; G671-Y682 WeakPolarHBondContact O-CA 3.3Å; L672-Y682 HydrophobicContact CD2-CD1 4.19Å; L672-Y682 HydrophobicContact CD2-CE1 4.25Å; R673-Y682 PolarHBondContact NE-O 2.81Å; R673-Y682 PolarHBondContact NH2-O 2.92Å; E680-Y682 HydrophobicContact CB-CD1 4.45Å; E680-Y682 HydrophobicContact CB-CD2 4.43Å; E680-Y682 HydrophobicContact CB-CE1 3.86Å; E680-Y682 HydrophobicContact CB-CE2 3.79Å; E680-Y682 VanDerWaalsContact CB-CZ 3.47Å; E680-Y682 HydrophobicContact CG-CE1 4.26Å
683	D	98.4	Very high	97.9	Very high	25 Å²	25	39.3 Å²	39.3	13%	0.134	19%	0.185	C	C	.	.			trans	-77.7	-22.7	171.7	71.4	-12.9	0	0	0	113.5	S670 G671 R673 V685	S670-D683 PolarHBondContact OG-OD1 2.9Å; G671-D683 VanDerWaalsContact CA-CG 3.44Å; G671-D683 VanDerWaalsContact CA-OD1 3.3Å; G671-D683 WeakPolarHBondContact CA-OD1 3.49Å; G671-D683 WeakPolarHBondContact CA-OD2 3.39Å; G671-D683 PolarHBondContact N-OD1 2.85Å; G671-D683 PolarHBondContact O-N 2.91Å; G671-D683 VanDerWaalsContact O-OD1 3.13Å; R673-D683 PolarHBondContact NH2-O 3.22Å; D683-V685 PolarHBondContact OD1-N 2.79Å
684	D	98.7	Very high	98	Very high	18 Å²	18	32.7 Å²	32.7	10%	0.096	16%	0.16	C	C	.	.			trans	62.3	40.9	-168.5	-175.3	47.1	0	0	0	113.5	K305 I307 S308 S670	K305-D684 WeakPolarHBondContact CA-O 3.49Å; K305-D684 WeakPolarHBondContact CB-OD1 3.33Å; K305-D684 VanDerWaalsContact NZ-CG 3.33Å; K305-D684 PolarHBondContact NZ-O 3.47Å; K305-D684 IonicContact NZ-OD2 2.71Å; K305-D684 PolarHBondContact NZ-OD2 2.89Å; I307-D684 WeakPolarHBondContact CA-OD1 3.46Å; I307-D684 HydrophobicContact CB-CB 4.14Å; I307-D684 VanDerWaalsContact CB-OD1 3.23Å; I307-D684 WeakPolarHBondContact CB-OD1 3.32Å; I307-D684 HydrophobicContact CG1-CB 3.93Å; I307-D684 PolarHBondContact N-OD1 3.01Å; S308-D684 VanDerWaalsContact CB-OD2 3.3Å; S308-D684 WeakPolarHBondContact CB-OD2 3.44Å; S308-D684 PolarHBondContact N-OD1 3.1Å; S308-D684 PolarHBondContact OG-OD2 2.81Å; S670-D684 VanDerWaalsContact OG-CA 3.29Å; S670-D684 WeakPolarHBondContact OG-CA 3.48Å; S670-D684 PolarHBondContact OG-N 2.71Å
685	V	98.8	Very high	98	Very high	14 Å²	14	32.5 Å²	32.5	9%	0.085	16%	0.159	C	C	.	.			trans	-135.3	129.4	168.7	-170.6	0	0	0	0	111.1	S670 G671 D683 Q687	S670-V685 PolarHBondContact OG-N 2.68Å; G671-V685 PolarHBondContact N-O 2.67Å; D683-V685 PolarHBondContact OD1-N 2.79Å; V685-Q687 HydrophobicContact CG1-CG 4.4Å
686	Q	98.9	Very high	98	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-97.1	99.6	161.5	-170.2	179.6	-87.8	0	0	107.2	A290 L304 P306 L628 G668 Y669 L691	A290-Q686 PolarHBondContact O-NE2 2.84Å; L304-Q686 HydrophobicContact CB-CB 4.05Å; L304-Q686 HydrophobicContact CD2-CB 4.28Å; L304-Q686 HydrophobicContact CG-CB 4.36Å; L304-Q686 PolarHBondContact O-N 2.66Å; P306-Q686 HydrophobicContact CG-CB 4.5Å; L628-Q686 HydrophobicContact CD1-CG 4.47Å; G668-Q686 VanDerWaalsContact CA-OE1 3.32Å; Y669-Q686 WeakPolarHBondContact O-CA 3.31Å; Y669-Q686 WeakPolarHBondContact O-CB 3.37Å; Y669-Q686 WeakPolarHBondContact O-CG 3.27Å; Q686-L691 HydrophobicContact CG-CD1 4.27Å
687	Q	98.8	Very high	98	Very high	32 Å²	32	29.8 Å²	29.8	15%	0.15	15%	0.148	C	C	.	.			trans	-65.2	145.9	-179.2	-50.5	-74.2	-27.3	0	0	110.4	E303 I627 V685 F689 F690	E303-Q687 PolarHBondContact OE1-OE1 2.81Å; I627-Q687 HydrophobicContact CB-CG 4.4Å; I627-Q687 WeakPolarHBondContact O-CG 3.34Å; V685-Q687 HydrophobicContact CG1-CG 4.4Å; Q687-F689 VanDerWaalsContact C-N 3.35Å; Q687-F689 HydrophobicContact CB-CD1 3.92Å; Q687-F689 HydrophobicContact CB-CD2 4.03Å; Q687-F689 HydrophobicContact CB-CE1 3.58Å; Q687-F689 HydrophobicContact CB-CE2 3.7Å; Q687-F689 HydrophobicContact CB-CG 4.14Å; Q687-F689 HydrophobicContact CB-CZ 3.47Å; Q687-F689 VanDerWaalsContact CB-CZ 3.47Å; Q687-F689 HydrophobicContact CG-CE1 3.92Å; Q687-F689 HydrophobicContact CG-CE2 3.96Å; Q687-F689 HydrophobicContact CG-CZ 3.49Å; Q687-F689 VanDerWaalsContact CG-CZ 3.49Å; Q687-F689 PolarHBondContact O-N 2.68Å; Q687-F690 WeakPolarHBondContact O-CB 3.07Å; Q687-F690 PolarHBondContact O-N 3.23Å; Q687-F690 VanDerWaalsContact O-N 3.17Å
688	S	98.8	Very high	98.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-35.4	-177.4	66.4	0	0	0	0	113.2	T324 D327 R368 F690 L691 A692	T324-S688 WeakPolarHBondContact OG1-CB 3.49Å; D327-S688 WeakPolarHBondContact OD2-CB 3.39Å; D327-S688 PolarHBondContact OD2-OG 3.04Å; R368-S688 PolarHBondContact NH1-OG 2.78Å; S688-F690 PolarHBondContact O-N 3.36Å; S688-F690 VanDerWaalsContact O-N 3.09Å; S688-L691 PolarHBondContact O-N 3.13Å; S688-A692 PolarHBondContact O-N 3.41Å; S688-A692 VanDerWaalsContact O-N 3.09Å
689	F	98.8	Very high	98.4	Very high	17 Å²	17	20.8 Å²	20.8	8%	0.075	10%	0.101	C	C	.	.	H	α-helix	trans	-59.2	-19.2	174	52.4	-105.5	0	0	0	114.7	I627 R629 Q687 L691 A692 E693 T694 E718	I627-F689 HydrophobicContact CD1-CZ 4.27Å; I627-F689 HydrophobicContact CG1-CZ 4.26Å; I627-F689 WeakPolarHBondContact O-CE2 3.28Å; I627-F689 WeakPolarHBondContact O-CZ 3.42Å; R629-F689 HydrophobicContact CG-CE2 4.23Å; R629-F689 HydrophobicContact CG-CZ 4.42Å; Q687-F689 VanDerWaalsContact C-N 3.35Å; Q687-F689 HydrophobicContact CB-CD1 3.92Å; Q687-F689 HydrophobicContact CB-CD2 4.03Å; Q687-F689 HydrophobicContact CB-CE1 3.58Å; Q687-F689 HydrophobicContact CB-CE2 3.7Å; Q687-F689 HydrophobicContact CB-CG 4.14Å; Q687-F689 HydrophobicContact CB-CZ 3.47Å; Q687-F689 VanDerWaalsContact CB-CZ 3.47Å; Q687-F689 HydrophobicContact CG-CE1 3.92Å; Q687-F689 HydrophobicContact CG-CE2 3.96Å; Q687-F689 HydrophobicContact CG-CZ 3.49Å; Q687-F689 VanDerWaalsContact CG-CZ 3.49Å; Q687-F689 PolarHBondContact O-N 2.68Å; F689-L691 PolarHBondContact O-N 3.12Å; F689-A692 PolarHBondContact O-N 2.98Å; F689-E693 HydrophobicContact CB-CG 4.03Å; F689-E693 WeakPolarHBondContact O-CA 3.18Å; F689-E693 VanDerWaalsContact O-CB 3.29Å; F689-E693 WeakPolarHBondContact O-CB 3.45Å; F689-E693 PolarHBondContact O-N 3.09Å; F689-T694 PolarHBondContact O-N 3.18Å; F689-T694 VanDerWaalsContact O-N 3.12Å; F689-E718 VanDerWaalsContact CB-OE1 3.31Å; F689-E718 WeakPolarHBondContact CB-OE1 3.4Å
690	F	98.9	Very high	98.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.072	C	C	.	.	I	π-helix	trans	-63.7	-35.5	173.5	-177.6	-109.2	0	0	0	111.5	A290 L628 L659 Y669 Q687 S688 T694 L695	A290-F690 HydrophobicContact CB-CD1 4.44Å; A290-F690 HydrophobicContact CB-CE1 4.34Å; L628-F690 HydrophobicContact CB-CB 3.98Å; L628-F690 HydrophobicContact CB-CD2 3.7Å; L628-F690 HydrophobicContact CB-CG 4.06Å; L628-F690 HydrophobicContact CD1-CB 4.07Å; L628-F690 HydrophobicContact CD1-CD1 4.46Å; L628-F690 HydrophobicContact CD1-CD2 4.29Å; L628-F690 HydrophobicContact CD1-CG 4.01Å; L628-F690 HydrophobicContact CD2-CD2 4.32Å; L628-F690 HydrophobicContact CD2-CE2 4.41Å; L628-F690 HydrophobicContact CG-CD2 4.33Å; L659-F690 HydrophobicContact CD1-CE2 4.09Å; L659-F690 HydrophobicContact CD2-CE2 4.04Å; Y669-F690 HydrophobicContact CD1-CE1 4.04Å; Y669-F690 AromaticContact CD1-CZ 3.82Å; Y669-F690 HydrophobicContact CD1-CZ 3.82Å; Y669-F690 HydrophobicContact CD2-CD1 4.24Å; Y669-F690 AromaticContact CD2-CE1 3.36Å; Y669-F690 HydrophobicContact CD2-CE1 3.36Å; Y669-F690 AromaticContact CD2-CZ 3.99Å; Y669-F690 HydrophobicContact CD2-CZ 3.99Å; Y669-F690 HydrophobicContact CE1-CZ 4.2Å; Y669-F690 AromaticContact CE2-CE1 3.88Å; Y669-F690 HydrophobicContact CE2-CE1 3.88Å; Y669-F690 HydrophobicContact CE2-CZ 4.33Å; Y669-F690 HydrophobicContact CG-CD1 4.33Å; Y669-F690 AromaticContact CG-CE1 3.47Å; Y669-F690 HydrophobicContact CG-CE1 3.47Å; Y669-F690 VanDerWaalsContact CG-CE1 3.47Å; Y669-F690 AromaticContact CG-CZ 3.73Å; Y669-F690 HydrophobicContact CG-CZ 3.73Å; Q687-F690 WeakPolarHBondContact O-CB 3.07Å; Q687-F690 PolarHBondContact O-N 3.23Å; Q687-F690 VanDerWaalsContact O-N 3.17Å; S688-F690 PolarHBondContact O-N 3.36Å; S688-F690 VanDerWaalsContact O-N 3.09Å; F690-T694 HydrophobicContact CD2-CG2 3.82Å; F690-T694 HydrophobicContact CE2-CG2 3.86Å; F690-L695 HydrophobicContact CD1-CD1 4.03Å; F690-L695 HydrophobicContact CD1-CG 4.34Å; F690-L695 HydrophobicContact CE1-CD1 3.64Å; F690-L695 HydrophobicContact CE1-CD2 4.24Å; F690-L695 HydrophobicContact CE1-CG 3.93Å; F690-L695 HydrophobicContact CE2-CD2 4.41Å; F690-L695 HydrophobicContact CE2-CG 4.35Å; F690-L695 HydrophobicContact CZ-CD1 4.14Å; F690-L695 HydrophobicContact CZ-CD2 3.89Å; F690-L695 HydrophobicContact CZ-CG 3.95Å; F690-L695 WeakPolarHBondContact O-CB 3.29Å; F690-L695 VanDerWaalsContact O-CG 3.31Å; F690-L695 WeakPolarHBondContact O-CG 3.41Å; F690-L695 PolarHBondContact O-N 2.81Å
691	L	98.9	Very high	98.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.	I	π-helix	trans	-86	-37.3	176.1	-66.3	86.2	0	0	0	111.6	M287 A290 W291 T324 A328 T331 Q686 S688 F689	M287-L691 HydrophobicContact CE-CB 4.12Å; M287-L691 HydrophobicContact CE-CD2 4.01Å; M287-L691 HydrophobicContact CE-CG 4.42Å; M287-L691 HydrophobicContact SD-CB 4.06Å; M287-L691 HydrophobicContact SD-CD2 4.03Å; M287-L691 HydrophobicContact SD-CG 4.05Å; A290-L691 HydrophobicContact CB-CD1 4.25Å; A290-L691 HydrophobicContact CB-CD2 4.14Å; A290-L691 HydrophobicContact CB-CG 4.09Å; W291-L691 HydrophobicContact CB-CD2 4.47Å; W291-L691 HydrophobicContact CE3-CD2 4.13Å; T324-L691 HydrophobicContact CG2-CD1 4.19Å; T324-L691 HydrophobicContact CG2-CD2 4.02Å; A328-L691 HydrophobicContact CB-CB 4.32Å; A328-L691 HydrophobicContact CB-CD2 4.38Å; T331-L691 WeakPolarHBondContact CB-O 3.36Å; T331-L691 WeakPolarHBondContact CG2-O 3.27Å; T331-L691 PolarHBondContact OG1-O 2.97Å; Q686-L691 HydrophobicContact CG-CD1 4.27Å; S688-L691 PolarHBondContact O-N 3.13Å; F689-L691 PolarHBondContact O-N 3.12Å
692	A	98.9	Very high	98.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.042	C	C	.	.	I	π-helix	trans	-70.9	-40.3	179.9	0	0	0	0	0	112.7	D327 S688 F689 K696 E718	D327-A692 HydrophobicContact CB-CB 3.95Å; D327-A692 VanDerWaalsContact O-CA 3.28Å; D327-A692 WeakPolarHBondContact O-CA 3.38Å; D327-A692 WeakPolarHBondContact O-CB 3.33Å; S688-A692 PolarHBondContact O-N 3.41Å; S688-A692 VanDerWaalsContact O-N 3.09Å; F689-A692 PolarHBondContact O-N 2.98Å; A692-K696 WeakPolarHBondContact O-CB 3.4Å; A692-K696 VanDerWaalsContact O-CD 3.24Å; A692-K696 WeakPolarHBondContact O-CD 3.33Å; A692-K696 WeakPolarHBondContact O-CE 3.47Å; A692-K696 PolarHBondContact O-NZ 3.04Å; A692-E718 HydrophobicContact CB-CG 4.41Å
693	E	98.9	Very high	98.8	Very high	14 Å²	14	5.8 Å²	5.8	7%	0.065	3%	0.029	C	C	.	.	I	π-helix	trans	-122	-61.9	-165	-50.8	-157.4	-103.1	0	0	112.4	P630 F689 L695 K696 Y697 E718 A719	P630-E693 HydrophobicContact CB-CB 3.49Å; P630-E693 VanDerWaalsContact CB-CB 3.49Å; P630-E693 HydrophobicContact CG-CB 3.73Å; P630-E693 HydrophobicContact CG-CG 4.28Å; P630-E693 WeakPolarHBondContact CG-OE1 3.4Å; F689-E693 HydrophobicContact CB-CG 4.03Å; F689-E693 WeakPolarHBondContact O-CA 3.18Å; F689-E693 VanDerWaalsContact O-CB 3.29Å; F689-E693 WeakPolarHBondContact O-CB 3.45Å; F689-E693 PolarHBondContact O-N 3.09Å; E693-L695 PolarHBondContact O-N 2.84Å; E693-K696 PolarHBondContact O-N 2.81Å; E693-Y697 HydrophobicContact CB-CD2 4.14Å; E693-Y697 HydrophobicContact CB-CE2 3.98Å; E693-Y697 VanDerWaalsContact O-CD2 3.28Å; E693-Y697 WeakPolarHBondContact O-CD2 3.34Å; E693-Y697 PolarHBondContact O-N 3.05Å; E693-E718 VanDerWaalsContact CD-CA 3.49Å; E693-E718 HydrophobicContact CG-CG 4.44Å; E693-A719 HydrophobicContact CB-CB 3.92Å; E693-A719 HydrophobicContact CG-CB 3.64Å; E693-A719 PolarHBondContact OE2-N 3.28Å
694	T	98.9	Very high	98.7	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.036	C	C	.	.	I	π-helix	trans	-59.5	-48.1	-169.1	-54.6	0	0	0	0	110.9	L628 P630 L659 F689 F690 L698	L628-T694 PolarHBondContact O-OG1 3.25Å; P630-T694 WeakPolarHBondContact CA-OG1 3.17Å; P630-T694 WeakPolarHBondContact CB-OG1 3.22Å; L659-T694 HydrophobicContact CD1-CG2 4.26Å; F689-T694 PolarHBondContact O-N 3.18Å; F689-T694 VanDerWaalsContact O-N 3.12Å; F690-T694 HydrophobicContact CD2-CG2 3.82Å; F690-T694 HydrophobicContact CE2-CG2 3.86Å; T694-L698 HydrophobicContact CG2-CD1 4.25Å; T694-L698 WeakPolarHBondContact O-CB 3.35Å; T694-L698 WeakPolarHBondContact O-CD1 3.5Å; T694-L698 WeakPolarHBondContact O-CG 3.24Å; T694-L698 PolarHBondContact O-N 2.79Å
695	L	98.9	Very high	98.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-74	-28.5	175.7	-66	176.5	0	0	0	113.7	I283 M286 M287 A290 M335 F690 E693 Y699	I283-L695 HydrophobicContact CG2-CD2 4.21Å; I283-L695 WeakPolarHBondContact CG2-O 3.42Å; M286-L695 HydrophobicContact CB-CD2 3.8Å; M286-L695 HydrophobicContact CE-CD2 4.12Å; M286-L695 HydrophobicContact SD-CD2 4.44Å; M287-L695 HydrophobicContact CB-CD1 4.06Å; M287-L695 HydrophobicContact SD-CD1 3.91Å; A290-L695 HydrophobicContact CB-CD1 4.46Å; M335-L695 HydrophobicContact CE-CB 4.15Å; M335-L695 WeakPolarHBondContact CE-O 3.35Å; F690-L695 HydrophobicContact CD1-CD1 4.03Å; F690-L695 HydrophobicContact CD1-CG 4.34Å; F690-L695 HydrophobicContact CE1-CD1 3.64Å; F690-L695 HydrophobicContact CE1-CD2 4.24Å; F690-L695 HydrophobicContact CE1-CG 3.93Å; F690-L695 HydrophobicContact CE2-CD2 4.41Å; F690-L695 HydrophobicContact CE2-CG 4.35Å; F690-L695 HydrophobicContact CZ-CD1 4.14Å; F690-L695 HydrophobicContact CZ-CD2 3.89Å; F690-L695 HydrophobicContact CZ-CG 3.95Å; F690-L695 WeakPolarHBondContact O-CB 3.29Å; F690-L695 VanDerWaalsContact O-CG 3.31Å; F690-L695 WeakPolarHBondContact O-CG 3.41Å; F690-L695 PolarHBondContact O-N 2.81Å; E693-L695 PolarHBondContact O-N 2.84Å; L695-Y699 VanDerWaalsContact O-CB 3.3Å; L695-Y699 WeakPolarHBondContact O-CB 3.29Å; L695-Y699 PolarHBondContact O-N 3.37Å
696	K	98.9	Very high	98.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-68.2	-53.8	177	-178	-175.4	-73.5	152	0	111.2	D330 T331 I334 A692 E693 L698 Y699 L700 F715 A719	D330-K696 VanDerWaalsContact OD1-CE 3.27Å; D330-K696 WeakPolarHBondContact OD1-CE 3.5Å; D330-K696 IonicContact OD1-NZ 2.87Å; D330-K696 PolarHBondContact OD1-NZ 3.26Å; D330-K696 IonicContact OD2-NZ 2.79Å; D330-K696 PolarHBondContact OD2-NZ 3.37Å; T331-K696 HydrophobicContact CG2-CB 4.47Å; T331-K696 WeakPolarHBondContact OG1-CE 3.44Å; I334-K696 HydrophobicContact CD1-CG 3.92Å; A692-K696 WeakPolarHBondContact O-CB 3.4Å; A692-K696 VanDerWaalsContact O-CD 3.24Å; A692-K696 WeakPolarHBondContact O-CD 3.33Å; A692-K696 WeakPolarHBondContact O-CE 3.47Å; A692-K696 PolarHBondContact O-NZ 3.04Å; E693-K696 PolarHBondContact O-N 2.81Å; K696-L698 VanDerWaalsContact C-N 3.33Å; K696-L698 PolarHBondContact O-N 3.3Å; K696-Y699 PolarHBondContact O-N 2.81Å; K696-L700 HydrophobicContact CG-CD1 4.22Å; K696-L700 WeakPolarHBondContact O-CG 3.23Å; K696-L700 PolarHBondContact O-N 2.84Å; K696-F715 HydrophobicContact CD-CE1 4.36Å; K696-A719 HydrophobicContact CD-CB 3.86Å; K696-A719 WeakPolarHBondContact CD-O 3.23Å; K696-A719 WeakPolarHBondContact CE-O 3.45Å; K696-A719 PolarHBondContact NZ-O 2.9Å
697	Y	98.9	Very high	98.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.5	-40.2	177.3	-67.6	-51.9	0	0	0	111.8	P630 E634 M637 E693 L700 I701 F715 A719	P630-Y697 HydrophobicContact CB-CD2 4.26Å; P630-Y697 HydrophobicContact CB-CE2 4.47Å; E634-Y697 HydrophobicContact CB-CD2 3.8Å; E634-Y697 HydrophobicContact CB-CE1 4.43Å; E634-Y697 HydrophobicContact CB-CE2 3.6Å; E634-Y697 HydrophobicContact CB-CG 4.29Å; E634-Y697 HydrophobicContact CG-CD2 4.39Å; E634-Y697 HydrophobicContact CG-CE1 4.02Å; E634-Y697 HydrophobicContact CG-CE2 3.83Å; E634-Y697 PolarHBondContact OE1-OH 2.58Å; M637-Y697 HydrophobicContact CB-CD1 4.24Å; M637-Y697 HydrophobicContact CE-CD1 3.9Å; M637-Y697 HydrophobicContact CE-CE1 3.92Å; M637-Y697 HydrophobicContact CG-CD1 4.19Å; E693-Y697 HydrophobicContact CB-CD2 4.14Å; E693-Y697 HydrophobicContact CB-CE2 3.98Å; E693-Y697 VanDerWaalsContact O-CD2 3.28Å; E693-Y697 WeakPolarHBondContact O-CD2 3.34Å; E693-Y697 PolarHBondContact O-N 3.05Å; Y697-L700 PolarHBondContact O-N 2.93Å; Y697-I701 WeakPolarHBondContact O-CD1 3.18Å; Y697-I701 VanDerWaalsContact O-CG1 3.25Å; Y697-I701 WeakPolarHBondContact O-CG1 3.38Å; Y697-I701 PolarHBondContact O-N 2.9Å; Y697-F715 AromaticContact CE1-CD1 3.99Å; Y697-F715 HydrophobicContact CE1-CD1 3.99Å; Y697-F715 HydrophobicContact CE1-CE1 4.34Å; Y697-F715 HydrophobicContact CE1-CG 4.27Å; Y697-A719 HydrophobicContact CD2-CB 4.37Å; Y697-A719 HydrophobicContact CE1-CB 4.01Å; Y697-A719 HydrophobicContact CE2-CB 3.56Å; Y697-A719 WeakPolarHBondContact OH-CA 3.26Å; Y697-A719 VanDerWaalsContact OH-CB 3.28Å; Y697-A719 WeakPolarHBondContact OH-CB 3.44Å
698	L	98.9	Very high	98.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-60.9	-45.2	172.9	-74.6	171.7	0	0	0	112.1	I283 M633 A652 V656 L659 T694 K696 L700 I701 F702	I283-L698 HydrophobicContact CD1-CB 3.91Å; I283-L698 HydrophobicContact CG1-CB 4.29Å; I283-L698 HydrophobicContact CG2-CB 4.09Å; M633-L698 HydrophobicContact CB-CD2 4.5Å; M633-L698 HydrophobicContact CB-CG 4.45Å; M633-L698 HydrophobicContact CG-CD2 4.19Å; M633-L698 HydrophobicContact CG-CG 4.25Å; M633-L698 HydrophobicContact SD-CD2 3.94Å; A652-L698 HydrophobicContact CB-CD2 4.01Å; V656-L698 HydrophobicContact CG2-CD1 3.84Å; V656-L698 HydrophobicContact CG2-CD2 3.86Å; V656-L698 HydrophobicContact CG2-CG 4.38Å; L659-L698 HydrophobicContact CD1-CD1 4.16Å; T694-L698 HydrophobicContact CG2-CD1 4.25Å; T694-L698 WeakPolarHBondContact O-CB 3.35Å; T694-L698 WeakPolarHBondContact O-CD1 3.5Å; T694-L698 WeakPolarHBondContact O-CG 3.24Å; T694-L698 PolarHBondContact O-N 2.79Å; K696-L698 VanDerWaalsContact C-N 3.33Å; K696-L698 PolarHBondContact O-N 3.3Å; L698-L700 VanDerWaalsContact C-N 3.3Å; L698-L700 PolarHBondContact O-N 2.53Å; L698-I701 HydrophobicContact CD2-CD1 4.46Å; L698-I701 PolarHBondContact O-N 3.49Å; L698-F702 VanDerWaalsContact O-CD2 3.3Å; L698-F702 WeakPolarHBondContact O-CD2 3.37Å; L698-F702 PolarHBondContact O-N 2.92Å
699	Y	98.9	Very high	98.1	Very high	1 Å²	1	10.1 Å²	10.1	0%	0.004	5%	0.054	C	C	.	.	H	α-helix	trans	-63.4	-36.1	178	-173.8	-95.5	0	0	0	112.5	S268 R280 K284 M335 L695 K696 F702 S703 L707	S268-Y699 PolarHBondContact OG-OH 3.03Å; R280-Y699 HydrophobicContact CG-CD2 3.49Å; R280-Y699 VanDerWaalsContact CG-CD2 3.49Å; R280-Y699 HydrophobicContact CG-CE2 3.33Å; R280-Y699 HydrophobicContact CG-CG 4.2Å; K284-Y699 HydrophobicContact CB-CE2 4.16Å; K284-Y699 HydrophobicContact CD-CE2 4.25Å; M335-Y699 HydrophobicContact CB-CE2 4.49Å; M335-Y699 HydrophobicContact CE-CD2 4.04Å; M335-Y699 HydrophobicContact CE-CG 3.91Å; M335-Y699 HydrophobicContact CG-CD1 4.09Å; M335-Y699 HydrophobicContact CG-CD2 3.86Å; M335-Y699 HydrophobicContact CG-CE1 4.16Å; M335-Y699 HydrophobicContact CG-CE2 3.95Å; M335-Y699 HydrophobicContact CG-CG 3.95Å; M335-Y699 HydrophobicContact SD-CD2 3.83Å; M335-Y699 HydrophobicContact SD-CE2 4.26Å; M335-Y699 HydrophobicContact SD-CG 4.2Å; L695-Y699 VanDerWaalsContact O-CB 3.3Å; L695-Y699 WeakPolarHBondContact O-CB 3.29Å; L695-Y699 PolarHBondContact O-N 3.37Å; K696-Y699 PolarHBondContact O-N 2.81Å; Y699-F702 CarbonylContact O-C 3.54Å; Y699-S703 WeakPolarHBondContact O-CB 3.39Å; Y699-S703 PolarHBondContact O-N 3.4Å; Y699-S703 VanDerWaalsContact O-N 3.16Å; Y699-S703 PolarHBondContact O-OG 3.23Å; Y699-L707 HydrophobicContact CD1-CD2 4.32Å; Y699-L707 HydrophobicContact CE1-CD2 3.84Å
700	L	98.8	Very high	98	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-71.3	-39.3	175.3	-68.2	170.1	0	0	0	112.7	I334 M637 K696 Y697 L698 F702 S703 L707 L708 F715	I334-L700 HydrophobicContact CD1-CD2 4.42Å; M637-L700 HydrophobicContact CG-CB 4.09Å; K696-L700 HydrophobicContact CG-CD1 4.22Å; K696-L700 WeakPolarHBondContact O-CG 3.23Å; K696-L700 PolarHBondContact O-N 2.84Å; Y697-L700 PolarHBondContact O-N 2.93Å; L698-L700 VanDerWaalsContact C-N 3.3Å; L698-L700 PolarHBondContact O-N 2.53Å; L700-F702 PolarHBondContact O-N 2.71Å; L700-S703 PolarHBondContact O-N 3.07Å; L700-L707 HydrophobicContact CD2-CD2 4.09Å; L700-L707 HydrophobicContact CD2-CG 4.07Å; L700-L708 HydrophobicContact CD2-CB 4.45Å; L700-L708 HydrophobicContact CD2-CD1 3.91Å; L700-L708 HydrophobicContact CD2-CG 4.43Å; L700-F715 HydrophobicContact CD1-CE1 3.69Å; L700-F715 HydrophobicContact CD1-CZ 3.55Å
701	I	98.8	Very high	97.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-55.4	-39.9	173.6	-74.8	160.2	0	0	0	111.3	M637 R649 A652 Y697 L698	M637-I701 HydrophobicContact CB-CD1 4.05Å; M637-I701 HydrophobicContact CB-CG1 3.73Å; M637-I701 HydrophobicContact CG-CG1 4.1Å; R649-I701 HydrophobicContact CG-CG2 3.75Å; R649-I701 VanDerWaalsContact CZ-O 3.23Å; R649-I701 PolarHBondContact NE-O 3.1Å; R649-I701 PolarHBondContact NH2-O 2.89Å; A652-I701 HydrophobicContact CB-CD1 3.87Å; A652-I701 HydrophobicContact CB-CG2 3.88Å; Y697-I701 WeakPolarHBondContact O-CD1 3.18Å; Y697-I701 VanDerWaalsContact O-CG1 3.25Å; Y697-I701 WeakPolarHBondContact O-CG1 3.38Å; Y697-I701 PolarHBondContact O-N 2.9Å; L698-I701 HydrophobicContact CD2-CD1 4.46Å; L698-I701 PolarHBondContact O-N 3.49Å
702	F	98.8	Very high	97.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	17.5	178.2	-59.8	-75.5	0	0	0	113.9	P271 I276 K279 R280 I283 R649 A652 W653 L698 Y699 L700	P271-F702 WeakPolarHBondContact CG-O 3.33Å; I276-F702 HydrophobicContact CD1-CD1 4.04Å; I276-F702 HydrophobicContact CG2-CB 4.25Å; I276-F702 VanDerWaalsContact CG2-O 3.22Å; I276-F702 WeakPolarHBondContact CG2-O 3.4Å; K279-F702 HydrophobicContact CB-CB 4.47Å; K279-F702 HydrophobicContact CB-CD1 3.86Å; K279-F702 HydrophobicContact CB-CD2 4.47Å; K279-F702 HydrophobicContact CB-CE1 4.25Å; K279-F702 HydrophobicContact CB-CG 4Å; K279-F702 HydrophobicContact CD-CD1 3.98Å; K279-F702 HydrophobicContact CD-CE1 3.61Å; K279-F702 HydrophobicContact CD-CZ 4.18Å; R280-F702 HydrophobicContact CB-CB 3.99Å; R280-F702 WeakPolarHBondContact CD-O 3.49Å; I283-F702 HydrophobicContact CD1-CD2 3.4Å; I283-F702 VanDerWaalsContact CD1-CD2 3.4Å; I283-F702 HydrophobicContact CD1-CE2 3.97Å; I283-F702 HydrophobicContact CD1-CG 4.34Å; R649-F702 HydrophobicContact CB-CE1 4.06Å; R649-F702 HydrophobicContact CG-CD1 4.35Å; R649-F702 HydrophobicContact CG-CE1 4.04Å; R649-F702 VanDerWaalsContact O-CZ 3.29Å; R649-F702 WeakPolarHBondContact O-CZ 3.45Å; A652-F702 HydrophobicContact CB-CE2 4.14Å; A652-F702 HydrophobicContact CB-CZ 4.14Å; W653-F702 HydrophobicContact CB-CZ 4Å; W653-F702 HydrophobicContact CE3-CE2 4.24Å; W653-F702 HydrophobicContact CE3-CZ 4.13Å; L698-F702 VanDerWaalsContact O-CD2 3.3Å; L698-F702 WeakPolarHBondContact O-CD2 3.37Å; L698-F702 PolarHBondContact O-N 2.92Å; Y699-F702 CarbonylContact O-C 3.54Å; L700-F702 PolarHBondContact O-N 2.71Å
703	S	98.3	Very high	97.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-103	170.3	167.2	-65.9	0	0	0	0	111.3	R280 R649 Y699 L700 L707	R280-S703 WeakPolarHBondContact CD-OG 3.46Å; R280-S703 PolarHBondContact NH1-OG 2.81Å; R280-S703 VanDerWaalsContact NH1-OG 3.08Å; R649-S703 PolarHBondContact NH2-O 2.91Å; Y699-S703 WeakPolarHBondContact O-CB 3.39Å; Y699-S703 PolarHBondContact O-N 3.4Å; Y699-S703 VanDerWaalsContact O-N 3.16Å; Y699-S703 PolarHBondContact O-OG 3.23Å; L700-S703 PolarHBondContact O-N 3.07Å; S703-L707 WeakPolarHBondContact OG-CD2 3.47Å
704	D	97.1	Very high	97.7	Very high	54 Å²	54	19.5 Å²	19.5	29%	0.289	10%	0.098	S	C	.	.			trans	-79.1	160.7	167.3	-63.7	-24	0	0	0	110.1	P271 R641 D706 L707	P271-D704 WeakPolarHBondContact CA-OD2 3.33Å; R641-D704 PolarHBondContact NH2-O 3.41Å; D704-D706 VanDerWaalsContact C-N 3.29Å; D704-D706 WeakPolarHBondContact CB-OD1 3.06Å; D704-D706 PolarHBondContact O-N 2.92Å; D704-L707 PolarHBondContact O-N 2.78Å
705	D	96.8	Very high	97.7	Very high	50 Å²	50	19.6 Å²	19.6	27%	0.267	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.7	-167.1	-81.5	14.4	0	0	0	114.5	R641 H644 L707	R641-D705 WeakPolarHBondContact CG-OD1 3.38Å; R641-D705 IonicContact NE-OD1 2.69Å; R641-D705 PolarHBondContact NE-OD1 3.03Å; H644-D705 IonicContact CE1-OD2 3.87Å; H644-D705 PolarHBondContact CE1-OD2 2.99Å; H644-D705 IonicContact NE2-OD2 2.67Å; D705-L707 VanDerWaalsContact C-N 3.28Å; D705-L707 PolarHBondContact O-N 2.77Å
706	D	94.7	Very high	97.7	Very high	57 Å²	57	19.6 Å²	19.6	31%	0.305	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-10.4	173.9	65.1	-51.8	0	0	0	113.9	G265 R269 D704 L708	G265-D706 VanDerWaalsContact CA-O 3.27Å; G265-D706 WeakPolarHBondContact CA-O 3.46Å; R269-D706 IonicContact CZ-OD2 3.61Å; R269-D706 IonicContact NE-OD2 3.96Å; R269-D706 PolarHBondContact NE-OD2 3.04Å; R269-D706 IonicContact NH2-OD1 3.5Å; R269-D706 IonicContact NH2-OD2 3.95Å; R269-D706 PolarHBondContact NH2-OD2 3.28Å; D704-D706 VanDerWaalsContact C-N 3.29Å; D704-D706 WeakPolarHBondContact CB-OD1 3.06Å; D704-D706 PolarHBondContact O-N 2.92Å; D706-L708 PolarHBondContact O-N 2.75Å
707	L	96.3	Very high	97.7	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.016	11%	0.106	C	C	.	.	S	Bend	trans	-80	107.4	165.9	179.6	61.9	0	0	0	109.5	G265 R641 Y699 L700 S703 D704 D705	G265-L707 CarbonylContact O-C 3.58Å; G265-L707 WeakPolarHBondContact O-CA 3.23Å; R641-L707 PolarHBondContact NH1-O 3.1Å; R641-L707 PolarHBondContact NH2-O 3.22Å; Y699-L707 HydrophobicContact CD1-CD2 4.32Å; Y699-L707 HydrophobicContact CE1-CD2 3.84Å; L700-L707 HydrophobicContact CD2-CD2 4.09Å; L700-L707 HydrophobicContact CD2-CG 4.07Å; S703-L707 WeakPolarHBondContact OG-CD2 3.47Å; D704-L707 PolarHBondContact O-N 2.78Å; D705-L707 VanDerWaalsContact C-N 3.28Å; D705-L707 PolarHBondContact O-N 2.77Å
708	L	95.9	Very high	97.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	57.4	66.7	-178.1	-46.5	172.3	0	0	0	111.7	G265 V266 I334 L379 R641 L700 D706 L721	G265-L708 PolarHBondContact O-N 3.34Å; V266-L708 HydrophobicContact CG1-CD2 4.05Å; I334-L708 HydrophobicContact CB-CD1 4.26Å; I334-L708 HydrophobicContact CD1-CD1 3.73Å; I334-L708 HydrophobicContact CG2-CD1 3.69Å; I334-L708 HydrophobicContact CG2-CD2 4.32Å; I334-L708 HydrophobicContact CG2-CG 4.49Å; L379-L708 HydrophobicContact CD2-CD2 4.25Å; R641-L708 PolarHBondContact NH1-O 2.9Å; L700-L708 HydrophobicContact CD2-CB 4.45Å; L700-L708 HydrophobicContact CD2-CD1 3.91Å; L700-L708 HydrophobicContact CD2-CG 4.43Å; D706-L708 PolarHBondContact O-N 2.75Å; L708-L721 HydrophobicContact CB-CD2 3.95Å; L708-L721 HydrophobicContact CD1-CD1 3.7Å; L708-L721 HydrophobicContact CD1-CD2 3.6Å; L708-L721 HydrophobicContact CD1-CG 4.3Å; L708-L721 HydrophobicContact CD2-CD2 4.23Å; L708-L721 HydrophobicContact CG-CD2 4.11Å
709	P	97.3	Very high	97.7	Very high	16 Å²	16	20.8 Å²	20.8	10%	0.104	11%	0.107	C	C	.	.			trans	-66.4	140.5	-176.3	25.1	-32.8	0	0	0	112.1	E711 H712 W713	P709-E711 WeakPolarHBondContact CB-OE2 3.11Å; P709-E711 PolarHBondContact O-N 2.98Å; P709-H712 HydrophobicContact CG-CB 4.26Å; P709-H712 PolarHBondContact O-N 3.28Å; P709-W713 PolarHBondContact O-N 3.44Å
710	L	96.9	Very high	97.7	Very high	26 Å²	26	20.8 Å²	20.8	14%	0.136	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19	-173.6	-58.3	-178.1	0	0	0	112.8	Y638 R641 L642 H712 F715	Y638-L710 HydrophobicContact CD1-CD1 4.11Å; Y638-L710 HydrophobicContact CE1-CD1 4.41Å; Y638-L710 HydrophobicContact CE1-CD2 4.11Å; R641-L710 HydrophobicContact CB-CD1 4.16Å; L642-L710 HydrophobicContact CD2-CD1 4.39Å; L710-H712 PolarHBondContact O-N 3.41Å; L710-F715 HydrophobicContact CD2-CD2 4.46Å; L710-F715 HydrophobicContact CD2-CE2 3.88Å
711	E	95.8	Very high	97.6	Very high	133 Å²	133	20.8 Å²	20.8	62%	0.621	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-6.8	174.8	-56.5	78.5	-176.2	0	0	113.2	P709 I724	P709-E711 WeakPolarHBondContact CB-OE2 3.11Å; P709-E711 PolarHBondContact O-N 2.98Å; E711-I724 WeakPolarHBondContact O-CD1 3.35Å
712	H	96.8	Very high	97.5	Very high	54 Å²	54	20.8 Å²	20.8	25%	0.25	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-29.6	-177.5	-68.9	-93.1	0	0	0	113.6	I264 P709 L710 P723 I724	I264-H712 WeakPolarHBondContact CD1-ND1 3.31Å; P709-H712 HydrophobicContact CG-CB 4.26Å; P709-H712 PolarHBondContact O-N 3.28Å; L710-H712 PolarHBondContact O-N 3.41Å; H712-P723 WeakPolarHBondContact O-CA 3.45Å; H712-I724 PolarHBondContact O-N 3.07Å; H712-I724 VanDerWaalsContact O-N 3.11Å
713	W	98.1	Very high	97.5	Very high	9 Å²	9	22.1 Å²	22.1	3%	0.034	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.4	-174	-62.1	96.9	0	0	0	112.6	P263 I264 V266 L379 P709 L721 P723	P263-W713 HydrophobicContact CB-CH2 3.9Å; P263-W713 HydrophobicContact CB-CZ2 3.66Å; I264-W713 PolarHBondContact O-NE1 3.43Å; V266-W713 HydrophobicContact CG1-CZ2 4.46Å; L379-W713 HydrophobicContact CD2-CH2 4.14Å; L379-W713 HydrophobicContact CD2-CZ2 4.39Å; P709-W713 PolarHBondContact O-N 3.44Å; W713-L721 HydrophobicContact CB-CD2 4.1Å; W713-L721 HydrophobicContact CD2-CD2 4.43Å; W713-L721 HydrophobicContact CE3-CB 3.84Å; W713-L721 HydrophobicContact CE3-CD2 4.49Å; W713-L721 HydrophobicContact CG-CD2 4.28Å; W713-L721 HydrophobicContact CZ3-CB 4.21Å; W713-P723 HydrophobicContact CE3-CB 4.24Å; W713-P723 HydrophobicContact CH2-CB 4.45Å; W713-P723 HydrophobicContact CZ3-CB 4.02Å; W713-P723 HydrophobicContact CZ3-CG 4.33Å
714	I	98.5	Very high	97.5	Very high	7 Å²	7	23.6 Å²	23.6	4%	0.036	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.7	171	-54.3	-57.3	0	0	0	107.6	L439 K505 L508 M509 L722 I724	L439-I714 HydrophobicContact CD1-CG2 4.38Å; K505-I714 HydrophobicContact CB-CG2 3.69Å; K505-I714 HydrophobicContact CD-CG2 4.15Å; K505-I714 HydrophobicContact CG-CG2 3.85Å; L508-I714 HydrophobicContact CB-CD1 3.64Å; L508-I714 HydrophobicContact CB-CG1 4.38Å; L508-I714 HydrophobicContact CD1-CD1 4.33Å; M509-I714 HydrophobicContact CB-CB 4.41Å; M509-I714 HydrophobicContact CB-CG1 3.98Å; I714-L722 PolarHBondContact N-O 3.48Å; I714-L722 PolarHBondContact O-N 3.26Å; I714-I724 HydrophobicContact CG1-CG1 4.19Å
715	F	98.8	Very high	97.4	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	131.7	171.8	-64.1	-94.5	0	0	0	109.2	K505 M637 K696 Y697 L700 L710 A719 H720 L721	K505-F715 WeakPolarHBondContact CD-O 3.39Å; K505-F715 WeakPolarHBondContact CE-O 3.48Å; K505-F715 PolarHBondContact NZ-O 3.42Å; M637-F715 HydrophobicContact CE-CD2 4.36Å; M637-F715 HydrophobicContact CE-CE2 4.07Å; M637-F715 HydrophobicContact CE-CZ 4.48Å; K696-F715 HydrophobicContact CD-CE1 4.36Å; Y697-F715 AromaticContact CE1-CD1 3.99Å; Y697-F715 HydrophobicContact CE1-CD1 3.99Å; Y697-F715 HydrophobicContact CE1-CE1 4.34Å; Y697-F715 HydrophobicContact CE1-CG 4.27Å; L700-F715 HydrophobicContact CD1-CE1 3.69Å; L700-F715 HydrophobicContact CD1-CZ 3.55Å; L710-F715 HydrophobicContact CD2-CD2 4.46Å; L710-F715 HydrophobicContact CD2-CE2 3.88Å; F715-A719 HydrophobicContact CD1-CB 4.42Å; F715-A719 WeakPolarHBondContact CD1-O 3.44Å; F715-H720 CarbonylContact C-O 3.51Å; F715-H720 WeakPolarHBondContact CA-O 3.44Å; F715-L721 HydrophobicContact CD1-CD2 4.06Å; F715-L721 HydrophobicContact CD1-CG 4.25Å; F715-L721 HydrophobicContact CE1-CD2 3.46Å; F715-L721 VanDerWaalsContact CE1-CD2 3.46Å; F715-L721 HydrophobicContact CE1-CG 3.95Å; F715-L721 HydrophobicContact CE2-CD2 4.34Å; F715-L721 HydrophobicContact CZ-CD2 3.61Å
716	N	98.8	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.			trans	-72.5	-173.6	170.2	98.6	-32.8	0	0	0	111.1	I367 L439 E440 Y502 K505 E718 A719 H720 L722	I367-N716 PolarHBondContact O-ND2 2.72Å; L439-N716 HydrophobicContact CD1-CB 4.26Å; E440-N716 WeakPolarHBondContact OE1-CB 3.46Å; E440-N716 PolarHBondContact OE1-ND2 3.39Å; Y502-N716 VanDerWaalsContact OH-CB 3.27Å; Y502-N716 WeakPolarHBondContact OH-CB 3.35Å; K505-N716 PolarHBondContact NZ-O 3.06Å; N716-E718 PolarHBondContact O-N 3.41Å; N716-E718 VanDerWaalsContact OD1-C 3.31Å; N716-E718 WeakPolarHBondContact OD1-CA 3.48Å; N716-E718 PolarHBondContact OD1-N 3.21Å; N716-A719 PolarHBondContact O-N 3.44Å; N716-A719 PolarHBondContact OD1-N 3.34Å; N716-H720 PolarHBondContact N-O 2.9Å; N716-H720 VanDerWaalsContact OD1-CB 3.29Å; N716-H720 WeakPolarHBondContact OD1-CB 3.5Å; N716-H720 PolarHBondContact OD1-N 2.95Å; N716-L722 HydrophobicContact CB-CD1 4.01Å
717	S	98.3	Very high	96	Very high	22 Å²	22	32.3 Å²	32.3	15%	0.154	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	0.4	-178.7	176.4	0	0	0	0	114.4	T436 S498 Y502	T436-S717 VanDerWaalsContact CG2-CB 3.41Å; S498-S717 WeakPolarHBondContact CB-OG 3.22Å; Y502-S717 PolarHBondContact OH-N 3.37Å
718	E	98.8	Very high	94.2	Very high	4 Å²	4	40 Å²	40	2%	0.019	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	32.8	175.3	-163.2	91.4	-160.9	0	0	109.5	I367 R368 F689 A692 E693 N716 H720	I367-E718 HydrophobicContact CB-CB 4.17Å; I367-E718 HydrophobicContact CD1-CB 4.43Å; I367-E718 WeakPolarHBondContact CD1-OE2 3.48Å; I367-E718 HydrophobicContact CG1-CB 4.17Å; I367-E718 WeakPolarHBondContact CG1-OE2 3.4Å; R368-E718 HydrophobicContact CG-CG 3.92Å; R368-E718 WeakPolarHBondContact CG-OE2 3.41Å; R368-E718 IonicContact CZ-OE1 2.76Å; R368-E718 IonicContact CZ-OE2 3.34Å; R368-E718 VanDerWaalsContact CZ-OE2 3.23Å; R368-E718 IonicContact NE-OE1 2.61Å; R368-E718 IonicContact NE-OE2 3.73Å; R368-E718 IonicContact NH1-OE1 3.61Å; R368-E718 PolarHBondContact NH1-OE1 3.2Å; R368-E718 IonicContact NH1-OE2 2.66Å; R368-E718 IonicContact NH2-OE1 3.95Å; R368-E718 PolarHBondContact NH2-OE1 3.27Å; R368-E718 IonicContact NH2-OE2 2.75Å; R368-E718 PolarHBondContact NH2-OE2 2.95Å; F689-E718 VanDerWaalsContact CB-OE1 3.31Å; F689-E718 WeakPolarHBondContact CB-OE1 3.4Å; A692-E718 HydrophobicContact CB-CG 4.41Å; E693-E718 VanDerWaalsContact CD-CA 3.49Å; E693-E718 HydrophobicContact CG-CG 4.44Å; N716-E718 PolarHBondContact O-N 3.41Å; N716-E718 VanDerWaalsContact OD1-C 3.31Å; N716-E718 WeakPolarHBondContact OD1-CA 3.48Å; N716-E718 PolarHBondContact OD1-N 3.21Å; E718-H720 PolarHBondContact O-CD2 2.95Å; E718-H720 PolarHBondContact O-N 3.42Å
719	A	98.8	Very high	91.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	53.8	22	-177.4	0	0	0	0	0	116.6	E693 K696 Y697 F715 N716	E693-A719 HydrophobicContact CB-CB 3.92Å; E693-A719 HydrophobicContact CG-CB 3.64Å; E693-A719 PolarHBondContact OE2-N 3.28Å; K696-A719 HydrophobicContact CD-CB 3.86Å; K696-A719 WeakPolarHBondContact CD-O 3.23Å; K696-A719 WeakPolarHBondContact CE-O 3.45Å; K696-A719 PolarHBondContact NZ-O 2.9Å; Y697-A719 HydrophobicContact CD2-CB 4.37Å; Y697-A719 HydrophobicContact CE1-CB 4.01Å; Y697-A719 HydrophobicContact CE2-CB 3.56Å; Y697-A719 WeakPolarHBondContact OH-CA 3.26Å; Y697-A719 VanDerWaalsContact OH-CB 3.28Å; Y697-A719 WeakPolarHBondContact OH-CB 3.44Å; F715-A719 HydrophobicContact CD1-CB 4.42Å; F715-A719 WeakPolarHBondContact CD1-O 3.44Å; N716-A719 PolarHBondContact O-N 3.44Å; N716-A719 PolarHBondContact OD1-N 3.34Å
720	H	98.9	Very high	89	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	26%	0.257	C	S	.	.			trans	-84.3	132.5	-180	-71.7	-54.6	0	0	0	112.7	D327 D330 I367 G372 S375 F715 N716 E718 L722	D327-H720 PolarHBondContact O-CE1 2.99Å; D330-H720 VanDerWaalsContact CG-ND1 3.3Å; D330-H720 IonicContact OD1-CE1 3.73Å; D330-H720 PolarHBondContact OD1-CE1 3.36Å; D330-H720 IonicContact OD1-ND1 3.96Å; D330-H720 PolarHBondContact OD1-ND1 3.35Å; D330-H720 WeakPolarHBondContact OD2-CA 3.3Å; D330-H720 IonicContact OD2-CE1 3.85Å; D330-H720 IonicContact OD2-CG 3.39Å; D330-H720 IonicContact OD2-ND1 3.66Å; D330-H720 PolarHBondContact OD2-ND1 2.96Å; I367-H720 PolarHBondContact O-CD2 3.38Å; G372-H720 PolarHBondContact N-CD2 3.1Å; G372-H720 VanDerWaalsContact N-CD2 3.34Å; S375-H720 VanDerWaalsContact OG-C 3.3Å; S375-H720 WeakPolarHBondContact OG-CB 3.2Å; F715-H720 CarbonylContact C-O 3.51Å; F715-H720 WeakPolarHBondContact CA-O 3.44Å; N716-H720 PolarHBondContact N-O 2.9Å; N716-H720 VanDerWaalsContact OD1-CB 3.29Å; N716-H720 WeakPolarHBondContact OD1-CB 3.5Å; N716-H720 PolarHBondContact OD1-N 2.95Å; E718-H720 PolarHBondContact O-CD2 2.95Å; E718-H720 PolarHBondContact O-N 3.42Å; H720-L722 PolarHBondContact O-N 3.43Å
721	L	96.5	Very high	86.1	Confident	0 Å²	0	64 Å²	64	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	107.2	-167.5	-68.3	137.4	0	0	0	113.7	D330 I334 S375 L379 L708 W713 F715	D330-L721 HydrophobicContact CB-CD1 4.25Å; I334-L721 HydrophobicContact CG2-CD1 4.36Å; S375-L721 WeakPolarHBondContact CB-O 3Å; S375-L721 PolarHBondContact OG-N 2.99Å; S375-L721 PolarHBondContact OG-O 2.92Å; S375-L721 VanDerWaalsContact OG-O 3.05Å; L379-L721 HydrophobicContact CD1-CD1 4.11Å; L708-L721 HydrophobicContact CB-CD2 3.95Å; L708-L721 HydrophobicContact CD1-CD1 3.7Å; L708-L721 HydrophobicContact CD1-CD2 3.6Å; L708-L721 HydrophobicContact CD1-CG 4.3Å; L708-L721 HydrophobicContact CD2-CD2 4.23Å; L708-L721 HydrophobicContact CG-CD2 4.11Å; W713-L721 HydrophobicContact CB-CD2 4.1Å; W713-L721 HydrophobicContact CD2-CD2 4.43Å; W713-L721 HydrophobicContact CE3-CB 3.84Å; W713-L721 HydrophobicContact CE3-CD2 4.49Å; W713-L721 HydrophobicContact CG-CD2 4.28Å; W713-L721 HydrophobicContact CZ3-CB 4.21Å; F715-L721 HydrophobicContact CD1-CD2 4.06Å; F715-L721 HydrophobicContact CD1-CG 4.25Å; F715-L721 HydrophobicContact CE1-CD2 3.46Å; F715-L721 VanDerWaalsContact CE1-CD2 3.46Å; F715-L721 HydrophobicContact CE1-CG 3.95Å; F715-L721 HydrophobicContact CE2-CD2 4.34Å; F715-L721 HydrophobicContact CZ-CD2 3.61Å
722	L	98.4	Very high	83.3	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.5	178.1	-61.2	176.1	0	0	0	111.2	L374 Y378 L439 I714 N716 H720	L374-L722 HydrophobicContact CB-CD2 3.72Å; L374-L722 HydrophobicContact CD1-CD2 4.05Å; Y378-L722 HydrophobicContact CD2-CD2 4.42Å; Y378-L722 HydrophobicContact CE2-CD2 4.24Å; L439-L722 HydrophobicContact CB-CD1 3.65Å; L439-L722 HydrophobicContact CD1-CD1 4.48Å; I714-L722 PolarHBondContact N-O 3.48Å; I714-L722 PolarHBondContact O-N 3.26Å; N716-L722 HydrophobicContact CB-CD1 4.01Å; H720-L722 PolarHBondContact O-N 3.43Å
723	P	97.8	Very high	80.5	Confident	29 Å²	29	67 Å²	67	19%	0.188	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	153.3	-177.3	31.8	-34.9	0	0	0	112.4	Y378 H443 H712 W713 L725	Y378-P723 HydrophobicContact CD1-CG 3.66Å; Y378-P723 HydrophobicContact CD2-CG 3.94Å; Y378-P723 HydrophobicContact CE1-CG 3.8Å; Y378-P723 HydrophobicContact CE2-CG 4.1Å; Y378-P723 HydrophobicContact CG-CG 3.75Å; H443-P723 PolarHBondContact CE1-O 3.31Å; H443-P723 PolarHBondContact NE2-O 3.17Å; H712-P723 WeakPolarHBondContact O-CA 3.45Å; W713-P723 HydrophobicContact CE3-CB 4.24Å; W713-P723 HydrophobicContact CH2-CB 4.45Å; W713-P723 HydrophobicContact CZ3-CB 4.02Å; W713-P723 HydrophobicContact CZ3-CG 4.33Å; P723-L725 PolarHBondContact O-N 3.33Å
724	I	97.9	Very high	77.6	Confident	31 Å²	31	73.2 Å²	73.2	16%	0.159	35%	0.345	C	S	.	.			trans	-63.4	121.6	177.1	-63.7	179.6	0	0	0	111.6	M509 D511 E711 H712 I714 R726	M509-I724 CarbonylContact O-C 3.47Å; D511-I724 HydrophobicContact CB-CG2 3.76Å; E711-I724 WeakPolarHBondContact O-CD1 3.35Å; H712-I724 PolarHBondContact O-N 3.07Å; H712-I724 VanDerWaalsContact O-N 3.11Å; I714-I724 HydrophobicContact CG1-CG1 4.19Å; I724-R726 HydrophobicContact CG2-CG 4.1Å; I724-R726 PolarHBondContact O-N 2.91Å
725	L	95.3	Very high	74.8	Confident	38 Å²	38	82 Å²	82	20%	0.199	38%	0.378	C	S	.	.			trans	-79	81.6	177	-68.3	179.9	0	0	0	111.3	M442 H443 H446 M509 P723	M442-L725 HydrophobicContact CB-CD1 4.35Å; H443-L725 VanDerWaalsContact CE1-CD2 3.46Å; H443-L725 WeakPolarHBondContact CE1-CD2 3.37Å; H443-L725 VanDerWaalsContact CE1-CG 3.43Å; H443-L725 WeakPolarHBondContact CE1-CG 3.4Å; H446-L725 HydrophobicContact CB-CD1 4.39Å; H446-L725 HydrophobicContact CB-CD2 4.13Å; M509-L725 HydrophobicContact CE-CD1 4.18Å; M509-L725 PolarHBondContact O-N 2.9Å; P723-L725 PolarHBondContact O-N 3.33Å
726	R	89	Confident	72	Confident	136 Å²	136	90.7 Å²	90.7	51%	0.513	42%	0.419	S	S	.	.			trans	-69.6	142.7	174.1	-57.5	-168.1	172.1	134.9	5.8	111.3	D511 I724 E728	D511-R726 HydrophobicContact CB-CG 4.16Å; D511-R726 IonicContact OD1-NE 3.68Å; I724-R726 HydrophobicContact CG2-CG 4.1Å; I724-R726 PolarHBondContact O-N 2.91Å; R726-E728 PolarHBondContact O-N 3.12Å
727	K	74.3	Confident	69.2	Low	170 Å²	170	103.4 Å²	103.4	74%	0.739	48%	0.478	S	S	*	.			trans	-71.9	127.4	164.6	-79.9	177.6	177.8	168.1	0	109.3	K729	K727-K729 PolarHBondContact O-N 3.39Å; K727-K729 VanDerWaalsContact O-N 3.07Å
728	E	58	Low	67.7	Low	164 Å²	164	107.5 Å²	107.5	77%	0.766	49%	0.494	S	S	*	.			trans	-53.1	115.9	167.3	-69.6	179.6	171.6	0	0	110.1	R726 K730	R726-E728 PolarHBondContact O-N 3.12Å; E728-K730 VanDerWaalsContact C-N 3.31Å; E728-K730 PolarHBondContact O-N 3.23Å
729	K	43.8	Very low	66.1	Low	195 Å²	195	112.9 Å²	112.9	85%	0.848	52%	0.519	S	S	*	.			trans	-70.1	97.4	157.3	-73.3	-177.7	-179.3	176.3	0	106.6	K727 E731	K727-K729 PolarHBondContact O-N 3.39Å; K727-K729 VanDerWaalsContact O-N 3.07Å; K729-E731 VanDerWaalsContact C-N 3.34Å; K729-E731 PolarHBondContact O-N 3.27Å
730	K	38.7	Very low	64.3	Low	167 Å²	167	119.2 Å²	119.2	73%	0.726	55%	0.548	S	S	*	.			trans	-63.5	101.2	163.9	-71.5	-167.2	174.2	-170.8	0	107.8	E728 V732	E728-K730 VanDerWaalsContact C-N 3.31Å; E728-K730 PolarHBondContact O-N 3.23Å; K730-V732 PolarHBondContact O-N 3.28Å
731	E	37.2	Very low	62.3	Low	183 Å²	183	126.2 Å²	126.2	86%	0.855	58%	0.58	S	S	*	*			trans	-62.2	106.1	165.3	-65.8	-168.6	148.2	0	0	107.1	K729 E733	K729-E731 VanDerWaalsContact C-N 3.34Å; K729-E731 PolarHBondContact O-N 3.27Å; E731-E733 PolarHBondContact O-N 3.32Å; E731-E733 VanDerWaalsContact O-N 3.1Å
732	V	36.3	Very low	60.1	Low	115 Å²	115	134.1 Å²	134.1	70%	0.697	62%	0.617	S	S	*	*			trans	-74.2	99.6	170.5	179.4	0	0	0	0	105.7	K730 I734	K730-V732 PolarHBondContact O-N 3.28Å; V732-I734 HydrophobicContact CG1-CG1 4.1Å; V732-I734 PolarHBondContact O-N 2.9Å
733	E	38.8	Very low	57.6	Low	136 Å²	136	143 Å²	143	64%	0.636	66%	0.658	S	S	*	*			trans	-56.3	94.8	160.3	-81.1	-163.4	165.1	0	0	107.6	E731 R735	E731-E733 PolarHBondContact O-N 3.32Å; E731-E733 VanDerWaalsContact O-N 3.1Å; E733-R735 HydrophobicContact CB-CG 4.42Å; E733-R735 PolarHBondContact O-N 2.72Å; E733-R735 IonicContact OE2-CZ 3.31Å; E733-R735 VanDerWaalsContact OE2-CZ 3.31Å; E733-R735 IonicContact OE2-NE 2.89Å; E733-R735 PolarHBondContact OE2-NE 2.94Å; E733-R735 IonicContact OE2-NH2 2.82Å; E733-R735 PolarHBondContact OE2-NH2 3.39Å
734	I	37.6	Very low	54.7	Low	139 Å²	139	151.1 Å²	151.1	71%	0.713	69%	0.691	S	S	*	*			trans	-71.9	91.1	163.1	-58.4	179.3	0	0	0	105.4	V732 E736	V732-I734 HydrophobicContact CG1-CG1 4.1Å; V732-I734 PolarHBondContact O-N 2.9Å; I734-E736 HydrophobicContact CG2-CG 4.42Å; I734-E736 PolarHBondContact O-N 3.15Å
735	R	39.5	Very low	51.4	Low	191 Å²	191	160.4 Å²	160.4	72%	0.721	73%	0.732	S	S	*	*			trans	-71.8	107.4	164.4	-65.6	-175.3	179.8	-154.4	-5.1	107.1	E733	E733-R735 HydrophobicContact CB-CG 4.42Å; E733-R735 PolarHBondContact O-N 2.72Å; E733-R735 IonicContact OE2-CZ 3.31Å; E733-R735 VanDerWaalsContact OE2-CZ 3.31Å; E733-R735 IonicContact OE2-NE 2.89Å; E733-R735 PolarHBondContact OE2-NE 2.94Å; E733-R735 IonicContact OE2-NH2 2.82Å; E733-R735 PolarHBondContact OE2-NH2 3.39Å
736	E	39	Very low	47.7	Very low	185 Å²	185	170.6 Å²	170.6	86%	0.864	78%	0.777	S	S	*	*			trans	-69.5	126.2	165.8	-60.2	-176	141.3	0	0	108	I734	I734-E736 HydrophobicContact CG2-CG 4.42Å; I734-E736 PolarHBondContact O-N 3.15Å
737	E	40.5	Very low	44	Very low	266 Å²	266	173.7 Å²	173.7	100%	1.243	80%	0.801	S	S	*	*			trans	-104.6	0	170.5	-70.1	-168.4	145.6	0	0	110.3

Retrieved 737 of 737 residues in 288.8 ms (Link to these results)

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